Complex Band Structures and Lattice Dynamics of Bi 2 Te 3 ‐Based Compounds and Solid Solutions

Fang, Teng; Li, Xin; Hu, Chaoliang; Zhang, Qi; Yang, Jiong; Zhang, Wenqing; Zhao, Xinbing; Singh, David J.; Zhu, Tiejun

doi:10.1002/adfm.201900677

Title: Complex Band Structures and Lattice Dynamics of Bi ₂ Te ₃ ‐Based Compounds and Solid Solutions

Authors:

Fang, Teng ^[1]; Li, Xin ^[2]; Hu, Chaoliang ^[1]; Zhang, Qi ^[1]; Yang, Jiong ^[2]; Zhang, Wenqing ^[3];

^[1]; Singh, David J. ^[4];

^[1]

State Key Laboratory of Silicon Materials, and School of Materials Science and Engineering Zhejiang University Hangzhou 310027 China
Materials Genome Institute Shanghai University Shanghai 200444 China
Department of Physics and Shenzhen Institute for Quantum Science &, Technology Southern University of Science and Technology Shenzhen 518055 China
Department of Physics and Astronomy University of Missouri Columbia MO 65211 USA

Publication Date:: 2019-04-26

Sponsoring Org.:: USDOE

OSTI Identifier:: 1509496

Grant/Contract Number:: DE‐SC0019114

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Advanced Functional Materials

Additional Journal Information:: Journal Name: Advanced Functional Materials Journal Volume: 29 Journal Issue: 28; Journal ID: ISSN 1616-301X

Publisher:: Wiley Blackwell (John Wiley & Sons)

Country of Publication:: Germany

Language:: English

Citation Formats


                    Fang, Teng, Li, Xin, Hu, Chaoliang, Zhang, Qi, Yang, Jiong, Zhang, Wenqing, Zhao, Xinbing, Singh, David J., and Zhu, Tiejun. Complex Band Structures and Lattice Dynamics of Bi 2 Te 3 ‐Based Compounds and Solid Solutions.  Germany: N. p., 2019. 
Web.  doi:10.1002/adfm.201900677.

Copy to clipboard


                    Fang, Teng, Li, Xin, Hu, Chaoliang, Zhang, Qi, Yang, Jiong, Zhang, Wenqing, Zhao, Xinbing, Singh, David J., & Zhu, Tiejun. Complex Band Structures and Lattice Dynamics of Bi 2 Te 3 ‐Based Compounds and Solid Solutions.  Germany.  https://doi.org/10.1002/adfm.201900677

Copy to clipboard


                    Fang, Teng, Li, Xin, Hu, Chaoliang, Zhang, Qi, Yang, Jiong, Zhang, Wenqing, Zhao, Xinbing, Singh, David J., and Zhu, Tiejun. Fri .  
"Complex Band Structures and Lattice Dynamics of Bi 2 Te 3 ‐Based Compounds and Solid Solutions".  Germany.  https://doi.org/10.1002/adfm.201900677.

Copy to clipboard


                    
@article{osti_1509496,

  title        = {Complex Band Structures and Lattice Dynamics of Bi 2 Te 3 ‐Based Compounds and Solid Solutions},

  author       = {Fang, Teng and Li, Xin and Hu, Chaoliang and Zhang, Qi and Yang, Jiong and Zhang, Wenqing and Zhao, Xinbing and Singh, David J. and Zhu, Tiejun},

  abstractNote = {},

  doi          = {10.1002/adfm.201900677},

  journal      = {Advanced Functional Materials},

  number       = 28,

  volume       = 29,

  place        = {Germany},

  year         = {2019},

  month        = {4}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1002/adfm.201900677

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 26 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Linear augmented-plane-wave calculation of the structural properties of bulk Cr, Mo, and W
journal, January 1986

Mattheiss, L. F.; Hamann, D. R.
Physical Review B, Vol. 33, Issue 2
DOI: 10.1103/PhysRevB.33.823

Generalized Gradient Approximation Made Simple
journal, October 1996

Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
DOI: 10.1103/PhysRevLett.77.3865

Self-Tuning n-Type Bi ₂ (Te,Se) ₃ /SiC Thermoelectric Nanocomposites to Realize High Performances up to 300 °C
journal, August 2017

Pan, Yu; Aydemir, Umut; Sun, Fu-Hua
Advanced Science, Vol. 4, Issue 11
DOI: 10.1002/advs.201700259

Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces: $O_{2}$ molecule
journal, July 1981

Wimmer, E.; Krakauer, H.; Weinert, M.
Physical Review B, Vol. 24, Issue 2
DOI: 10.1103/PhysRevB.24.864

Defect structure of Pb-doped Bi ₂ Te ₃ single crystals
journal, July 2004

Plecháček, T.; Navrátil, J.; Horák, J.
Philosophical Magazine, Vol. 84, Issue 21
DOI: 10.1080/14786430410001678226

Magnetoelectric interaction and transport behaviours in magnetic nanocomposite thermoelectric materials
journal, October 2016

Zhao, Wenyu; Liu, Zhiyuan; Wei, Ping
Nature Nanotechnology, Vol. 12, Issue 1
DOI: 10.1038/nnano.2016.182

Experimental study of the valence band of ${Bi}_{2} {Se}_{3}$
journal, September 2014

Gao, Yi-Bin; He, Bin; Parker, David
Physical Review B, Vol. 90, Issue 12
DOI: 10.1103/PhysRevB.90.125204

Projector augmented-wave method
journal, December 1994

Blöchl, P. E.
Physical Review B, Vol. 50, Issue 24, p. 17953-17979
DOI: 10.1103/PhysRevB.50.17953

High thermoelectric performance in Bi _0.46 Sb _1.54 Te ₃ nanostructured with ZnTe
journal, January 2018

Deng, Rigui; Su, Xianli; Hao, Shiqiang
Energy & Environmental Science, Vol. 11, Issue 6
DOI: 10.1039/C8EE00290H

Determination of the valence band dispersions for Bi2Se3 using angle resolved photoemission
journal, December 2002

Greanya, V. A.; Tonjes, W. C.; Liu, Rong
Journal of Applied Physics, Vol. 92, Issue 11
DOI: 10.1063/1.1517748

Lattice Thermal Conductivity of Disordered Semiconductor Alloys at High Temperatures
journal, September 1963

Abeles, B.
Physical Review, Vol. 131, Issue 5
DOI: 10.1103/PhysRev.131.1906

First-principles electronic structure and its relation to thermoelectric properties of ${Bi}_{2} {Te}_{3}$
journal, February 2001

Youn, S. J.; Freeman, A. J.
Physical Review B, Vol. 63, Issue 8
DOI: 10.1103/PhysRevB.63.085112

Experimental Realization of a Three-Dimensional Topological Insulator, Bi₂Te₃
journal, June 2009

Chen, Y. L.; Analytis, J. G.; Chu, J.-H.
Science, Vol. 325, Issue 5937, p. 178-181
DOI: 10.1126/science.1173034

High Performance Thermoelectric Materials: Progress and Their Applications
journal, November 2017

Yang, Lei; Chen, Zhi-Gang; Dargusch, Matthew S.
Advanced Energy Materials, Vol. 8, Issue 6
DOI: 10.1002/aenm.201701797

Effect of Pressure on the Energy Gap of Bi ₂ Te ₃
journal, September 1961

Li, Che‐Yu; Ruoff, A. L.; Spencer, C. W.
Journal of Applied Physics, Vol. 32, Issue 9
DOI: 10.1063/1.1728426

Effects of uniaxial and hydrostatic pressure on the valence band maximum in ${Sb}_{2} {Te}_{3}$ : An electronic structure study
journal, November 2006

Larson, P.
Physical Review B, Vol. 74, Issue 20
DOI: 10.1103/PhysRevB.74.205113

The Optical Properties of Bismuth Telluride
journal, October 1958

Austin, I. G.
Proceedings of the Physical Society, Vol. 72, Issue 4
DOI: 10.1088/0370-1328/72/4/309

Untersuchung der intermetallischen Verbindung Bi2Te3 sowie der festen Lösungen Bi2-xSbxTe3 und Bi2Te3-xSex hinsichtlich ihrer Eignung als Material für Halbleiter-Thermoelemente
journal, September 1958

Birkholz, Ulrich
Zeitschrift für Naturforschung A, Vol. 13, Issue 9
DOI: 10.1515/zna-1958-0910

Electronic structure and transport of ${Bi}_{2} {Te}_{3}$ and ${BaBiTe}_{3}$
journal, March 2000

Larson, P.; Mahanti, S. D.; Kanatzidis, M. G.
Physical Review B, Vol. 61, Issue 12
DOI: 10.1103/PhysRevB.61.8162

First-principles investigations of the atomic, electronic, and thermoelectric properties of equilibrium and strained Bi $_{2}$ Se $_{3}$ and Bi $_{2}$ Te $_{3}$ including van der Waals interactions
journal, November 2012

Luo, Xin; Sullivan, Michael B.; Quek, Su Ying
Physical Review B, Vol. 86, Issue 18
DOI: 10.1103/PhysRevB.86.184111

Convergence of electronic bands for high performance bulk thermoelectrics
journal, May 2011

Pei, Yanzhong; Shi, Xiaoya; LaLonde, Aaron
Nature, Vol. 473, Issue 7345, p. 66-69
DOI: 10.1038/nature09996

Spin Polarization and Transport of Surface States in the Topological Insulators ${Bi}_{2} {Se}_{3}$ and ${Bi}_{2} {Te}_{3}$ from First Principles
journal, December 2010

Yazyev, Oleg V.; Moore, Joel E.; Louie, Steven G.
Physical Review Letters, Vol. 105, Issue 26
DOI: 10.1103/PhysRevLett.105.266806

Lattice dynamics and chemical bonding in Sb ₂ Te ₃ from first-principles calculations
journal, May 2015

Wang, Bao-Tian; Souvatzis, Petros; Eriksson, Olle
The Journal of Chemical Physics, Vol. 142, Issue 17
DOI: 10.1063/1.4919683

Lattice Thermal Conductivity Calculation of Sb2Te3 using Molecular Dynamics Simulations
journal, November 2018

Jeong, Inki; Yoon, Young-Gui
Journal of the Korean Physical Society, Vol. 73, Issue 10
DOI: 10.3938/jkps.73.1541

Acoustic impedance and interface phonon scattering in Bi $_{2}$ Te $_{3}$ and other semiconducting materials
journal, January 2013

Chen, Xin; Parker, David; Singh, David J.
Physical Review B, Vol. 87, Issue 4
DOI: 10.1103/PhysRevB.87.045317

On the Design of High-Efficiency Thermoelectric Clathrates through a Systematic Cross-Substitution of Framework Elements
journal, March 2010

Shi, Xun; Yang, Jiong; Bai, Shengqiang
Advanced Functional Materials, Vol. 20, Issue 5
DOI: 10.1002/adfm.200901817

Determination of the energy band gap of Bi2Se3
journal, July 2017

Martinez, G.; Piot, B. A.; Hakl, M.
Scientific Reports, Vol. 7, Issue 1
DOI: 10.1038/s41598-017-07211-x

Evaluation of Half-Heusler Compounds as Thermoelectric Materials Based on the Calculated Electrical Transport Properties
journal, October 2008

Yang, Jiong; Li, Huanming; Wu, Ting
Advanced Functional Materials, Vol. 18, Issue 19, p. 2880-2888
DOI: 10.1002/adfm.200701369

High thermoelectric performance in Te-free (Bi,Sb) ₂ Se ₃ via structural transition induced band convergence and chemical bond softening
journal, January 2016

Wang, Shanyu; Sun, Yongxing; Yang, Jiong
Energy & Environmental Science, Vol. 9, Issue 11
DOI: 10.1039/C6EE02674E

Electronic structure and thermoelectric properties of bismuth telluride and bismuth selenide
journal, January 1997

Mishra, S. K.; Satpathy, S.; Jepsen, O.
Journal of Physics: Condensed Matter, Vol. 9, Issue 2
DOI: 10.1088/0953-8984/9/2/014

Hall Coefficient Behavior and the Second Valence Band in Lead Telluride
journal, January 1966

Allgaier, R. S.; Houston, B. B.
Journal of Applied Physics, Vol. 37, Issue 1
DOI: 10.1063/1.1707831

Electronic structure of ${Bi}_{2} X_{3}$ $(X = S, Se, T)$ compounds: Comparison of theoretical calculations with photoemission studies
journal, February 2002

Larson, P.; Greanya, V. A.; Tonjes, W. C.
Physical Review B, Vol. 65, Issue 8
DOI: 10.1103/PhysRevB.65.085108

First-principles studies of the three-dimensional strong topological insulators Bi ₂ Te ₃ , Bi ₂ Se ₃ and Sb ₂ Te ₃
journal, June 2010

Zhang, Wei; Yu, Rui; Zhang, Hai-Jun
New Journal of Physics, Vol. 12, Issue 6
DOI: 10.1088/1367-2630/12/6/065013

Defects in Bi ₂ Te _{3− x} Se _x single crystals
journal, March 2010

Lošt’ák, P.; Drašar, Č.; Bachan, D.
Radiation Effects and Defects in Solids, Vol. 165, Issue 3
DOI: 10.1080/10420151003616663

New Insights into Intrinsic Point Defects in V ₂ VI ₃ Thermoelectric Materials
journal, March 2016

Zhu, Tiejun; Hu, Lipeng; Zhao, Xinbing
Advanced Science, Vol. 3, Issue 7
DOI: 10.1002/advs.201600004

Recent Studies of Bismuth Telluride and Its Alloys
journal, October 1961

Goldsmid, H. J.
Journal of Applied Physics, Vol. 32, Issue 10
DOI: 10.1063/1.1777042

Quasiparticle electronic structure of bismuth telluride in the $G W$ approximation
journal, December 2010

Kioupakis, Emmanouil; Tiago, Murilo L.; Louie, Steven G.
Physical Review B, Vol. 82, Issue 24
DOI: 10.1103/PhysRevB.82.245203

Screened exchange LDA determination of the ground and excited state properties of thermoelectrics: ${Bi}_{2} {Te}_{3}$
journal, July 2005

Kim, Miyoung; Freeman, A. J.; Geller, Clint B.
Physical Review B, Vol. 72, Issue 3
DOI: 10.1103/PhysRevB.72.035205

Tetradymites as thermoelectrics and topological insulators
journal, September 2017

Heremans, Joseph P.; Cava, Robert J.; Samarth, Nitin
Nature Reviews Materials, Vol. 2, Issue 10
DOI: 10.1038/natrevmats.2017.49

Advances in thermoelectric materials research: Looking back and moving forward
journal, September 2017

He, Jian; Tritt, Terry M.
Science, Vol. 357, Issue 6358
DOI: 10.1126/science.aak9997

High Efficiency Half-Heusler Thermoelectric Materials for Energy Harvesting
journal, July 2015

Zhu, Tiejun; Fu, Chenguang; Xie, Hanhui
Advanced Energy Materials, Vol. 5, Issue 19
DOI: 10.1002/aenm.201500588

Shifting up the optimum figure of merit of p-type bismuth telluride-based thermoelectric materials for power generation by suppressing intrinsic conduction
journal, February 2014

Hu, Li-Peng; Zhu, Tie-Jun; Wang, Ya-Guang
NPG Asia Materials, Vol. 6, Issue 2
DOI: 10.1038/am.2013.86

Massive Dirac Fermion on the Surface of a Magnetically Doped Topological Insulator
journal, August 2010

Chen, Y. L.; Chu, J. - H.; Analytis, J. G.
Science, Vol. 329, Issue 5992
DOI: 10.1126/science.1189924

Effect of quantum-well structures on the thermoelectric figure of merit
journal, May 1993

Hicks, L. D.; Dresselhaus, M. S.
Physical Review B, Vol. 47, Issue 19, p. 12727-12731
DOI: 10.1103/PhysRevB.47.12727

Ground-state properties of lanthanum: Treatment of extended-core states
journal, March 1991

Singh, David
Physical Review B, Vol. 43, Issue 8
DOI: 10.1103/PhysRevB.43.6388

Optical band gap and the Burstein–Moss effect in iodine doped PbTe using diffuse reflectance infrared Fourier transform spectroscopy
journal, July 2013

Gibbs, Zachary M.; LaLonde, Aaron; Snyder, G. Jeffrey
New Journal of Physics, Vol. 15, Issue 7
DOI: 10.1088/1367-2630/15/7/075020

Non-ParabolicE(k) Relation of the Lowest Conduction Band in Bi2 Te3
journal, January 1976

Köhler, H.
physica status solidi (b), Vol. 73, Issue 1
DOI: 10.1002/pssb.2220730107

Electronic properties of Bi2Se3 crystals
journal, January 1974

Hyde, G. R.; Beale, H. A.; Spain, I. L.
Journal of Physics and Chemistry of Solids, Vol. 35, Issue 12
DOI: 10.1016/S0022-3697(74)80186-1

Shubnikov-de Haas effect in p-type Sb2 Te3
journal, August 1973

von Middendorff, A.; Dietrich, K.; Landwehr, G.
Solid State Communications, Vol. 13, Issue 4
DOI: 10.1016/0038-1098(73)90472-9

Preparation and some physical properties of tetradymite-type Sb2Te3 single crystals doped with CdS
journal, January 2001

Lošt’ák, P.; Drašar, C̆; Krejc̆ová, A.
Journal of Crystal Growth, Vol. 222, Issue 3
DOI: 10.1016/S0022-0248(00)00948-9

Conduction band splitting and transport properties of Bi2Se3
journal, April 2004

Navrátil, J.; Horák, J.; Plecháček, T.
Journal of Solid State Chemistry, Vol. 177, Issue 4-5
DOI: 10.1016/j.jssc.2003.12.031

Investigation of effective mass of carriers in Bi2Te3/Sb2Te3 superlattices via electronic structure studies on its component crystals
journal, October 2006

Wang, Guofeng; Cagin, Tahir
Applied Physics Letters, Vol. 89, Issue 15
DOI: 10.1063/1.2360191

Lanthanide Contraction as a Design Factor for High-Performance Half-Heusler Thermoelectric Materials
journal, June 2018

Liu, Yintu; Fu, Chenguang; Xia, Kaiyang
Advanced Materials, Vol. 30, Issue 32
DOI: 10.1002/adma.201800881

Surface Scattering via Bulk Continuum States in the 3D Topological Insulator ${Bi}_{2} {Se}_{3}$
journal, July 2011

Kim, Sunghun; Ye, M.; Kuroda, K.
Physical Review Letters, Vol. 107, Issue 5
DOI: 10.1103/PhysRevLett.107.056803

Band structure of bismuth telluride, bismuth selenide and their respective alloys
journal, October 1965

Greenaway, D. L.; Harbeke, G.
Journal of Physics and Chemistry of Solids, Vol. 26, Issue 10
DOI: 10.1016/0022-3697(65)90092-2

The crystal structure of Bi2Te3−xSex
journal, March 1963

Nakajima, Seizo
Journal of Physics and Chemistry of Solids, Vol. 24, Issue 3
DOI: 10.1016/0022-3697(63)90207-5

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Kresse, G.; Furthmüller, J.
Physical Review B, Vol. 54, Issue 16, p. 11169-11186
DOI: 10.1103/PhysRevB.54.11169

$G W$ study of topological insulators Bi $_{2}$ Se $_{3}$ , Bi $_{2}$ Te $_{3}$ , and Sb $_{2}$ Te $_{3}$ : Beyond the perturbative one-shot approach
journal, July 2013

Aguilera, Irene; Friedrich, Christoph; Bihlmayer, Gustav
Physical Review B, Vol. 88, Issue 4
DOI: 10.1103/PhysRevB.88.045206

Chemical bonding in bismuth telluride
journal, January 1958

Drabble, J. R.; Goodman, C. H. L.
Journal of Physics and Chemistry of Solids, Vol. 5, Issue 1-2
DOI: 10.1016/0022-3697(58)90139-2

Thermal and Optical Energy Gaps in PbTe
journal, December 1966

Tauber, R. N.; Machonis, A. A.; Cadoff, I. B.
Journal of Applied Physics, Vol. 37, Issue 13
DOI: 10.1063/1.1708150

Large Improvement in Thermoelectric Properties in Pressure-Tuned p-Type Sb _1.5 Bi _0.5 Te ₃
journal, June 2001

Polvani, D. A.; Meng, J. F.; Chandra Shekar, N. V.
Chemistry of Materials, Vol. 13, Issue 6
DOI: 10.1021/cm000888q

Transport coefficients from first-principles calculations
journal, September 2003

Scheidemantel, T. J.; Ambrosch-Draxl, C.; Thonhauser, T.
Physical Review B, Vol. 68, Issue 12
DOI: 10.1103/PhysRevB.68.125210

Topological insulators in Bi₂Se₃, Bi₂Te₃ and Sb₂Te₃ with a single Dirac cone on the surface
journal, May 2009

Zhang, Haijun; Liu, Chao-Xing; Qi, Xiao-Liang
Nature Physics, Vol. 5, Issue 6, p. 438-442
DOI: 10.1038/nphys1270

Accurate Ab Initio Quantum Mechanics Simulations of Bi ₂ Se ₃ and Bi ₂ Te ₃ Topological Insulator Surfaces
journal, September 2015

Crowley, Jason M.; Tahir-Kheli, Jamil; Goddard, William A.
The Journal of Physical Chemistry Letters, Vol. 6, Issue 19
DOI: 10.1021/acs.jpclett.5b01586

Effects of extrinsic and intrinsic perturbations on the electronic structure of graphene: Retaining an effective primitive cell band structure by band unfolding
journal, January 2014

Medeiros, Paulo V. C.; Stafström, Sven; Björk, Jonas
Physical Review B, Vol. 89, Issue 4
DOI: 10.1103/PhysRevB.89.041407

Reflectivity of iodine-doped Sb2Te3 crystals
journal, November 1972

Horák, J.; Tichý, L.; Vaško, A.
Physica Status Solidi (a), Vol. 14, Issue 1
DOI: 10.1002/pssa.2210140136

Vibrations in binary and ternary topological insulators: First-principles calculations and Raman spectroscopy measurements
journal, November 2012

Chis, V.; Sklyadneva, I. Yu.; Kokh, K. A.
Physical Review B, Vol. 86, Issue 17
DOI: 10.1103/PhysRevB.86.174304

THERMOELECTRIC PROPERTIES OF n-TYPE Bi ₂ Te ₃ –Bi ₂ Se ₃ ALLOYS
journal, November 1967

Champness, C. H.; Muir, W. B.; Chiang, P. T.
Canadian Journal of Physics, Vol. 45, Issue 11
DOI: 10.1139/p67-304

Investigation of the Valence Band Structure of Thermoelectric (Bi1−xSbx)2Te3 Single Crystals
journal, November 1988

Stordeur, M.; Stölzer, M.; Sobotta, H.
physica status solidi (b), Vol. 150, Issue 1
DOI: 10.1002/pssb.2221500120

Valleytronics in thermoelectric materials
journal, February 2018

Xin, Jiazhan; Tang, Yinglu; Liu, Yintu
npj Quantum Materials, Vol. 3, Issue 1
DOI: 10.1038/s41535-018-0083-6

Conduction Band Parameters of Bi2See from Shubnikov-de Haas Investigations
journal, July 1973

Köhler, H.
Physica Status Solidi (b), Vol. 58, Issue 1
DOI: 10.1002/pssb.2220580109

High thermoelectric performance of p-BiSbTe compounds prepared by ultra-fast thermally induced reaction
journal, January 2017

Zheng, Gang; Su, Xianli; Xie, Hongyao
Energy & Environmental Science, Vol. 10, Issue 12
DOI: 10.1039/C7EE02677C

Effects of van der Waals interactions and quasiparticle corrections on the electronic and transport properties of ${Bi}_{2} {Te}_{3}$
journal, August 2014

Cheng, L.; Liu, H. J.; Zhang, J.
Physical Review B, Vol. 90, Issue 8
DOI: 10.1103/PhysRevB.90.085118

Electronic structure of the thermoelectric materials ${Bi}_{2} {Te}_{3}$ and ${Sb}_{2} {Te}_{3}$ from first-principles calculations
journal, August 2007

Wang, Guofeng; Cagin, Tahir
Physical Review B, Vol. 76, Issue 7
DOI: 10.1103/PhysRevB.76.075201

De Haas-van Alphen and high field galvanomagnetic studies of the Bi2Te3 valence band structure
journal, June 1963

Testardi, L. R.; Stiles, P. J.; Burstein, E.
Solid State Communications, Vol. 1, Issue 2
DOI: 10.1016/0038-1098(63)90387-9

The electronic band structure of bismuth telluride
journal, February 1968

Borghese, F.; Donato, E.
Il Nuovo Cimento B Series 10, Vol. 53, Issue 2
DOI: 10.1007/BF02710238

Quasiparticle effects in the bulk and surface-state bands of Bi $_{2}$ Se $_{3}$ and Bi $_{2}$ Te $_{3}$ topological insulators
journal, April 2012

Yazyev, Oleg V.; Kioupakis, Emmanouil; Moore, Joel E.
Physical Review B, Vol. 85, Issue 16
DOI: 10.1103/PhysRevB.85.161101

On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective
journal, February 2016

Yang, Jiong; Xi, Lili; Qiu, Wujie
npj Computational Materials, Vol. 2, Issue 1
DOI: 10.1038/npjcompumats.2015.15

Enhancing room temperature thermoelectric performance of n -type polycrystalline bismuth-telluride-based alloys via Ag doping and hot deformation
journal, September 2017

Wu, Yehao; Zhai, Renshuang; Zhu, Tiejun
Materials Today Physics, Vol. 2
DOI: 10.1016/j.mtphys.2017.09.001

Unfolding spinor wave functions and expectation values of general operators: Introducing the unfolding-density operator
journal, January 2015

Medeiros, Paulo V. C.; Tsirkin, Stepan S.; Stafström, Sven
Physical Review B, Vol. 91, Issue 4
DOI: 10.1103/PhysRevB.91.041116

Point Defect Engineering of High-Performance Bismuth-Telluride-Based Thermoelectric Materials
journal, June 2014

Hu, Lipeng; Zhu, Tiejun; Liu, Xiaohua
Advanced Functional Materials, Vol. 24, Issue 33
DOI: 10.1002/adfm.201400474

Realizing high figure of merit in heavy-band p-type half-Heusler thermoelectric materials
journal, September 2015

Fu, Chenguang; Bai, Shengqiang; Liu, Yintu
Nature Communications, Vol. 6, Issue 1
DOI: 10.1038/ncomms9144

Temperature-dependent effective third-order interatomic force constants from first principles
journal, October 2013

Hellman, Olle; Abrikosov, I. A.
Physical Review B, Vol. 88, Issue 14
DOI: 10.1103/PhysRevB.88.144301

Vibrational properties of crystalline Sb ₂ Te ₃ from first principles
journal, February 2009

Sosso, G. C.; Caravati, S.; Bernasconi, M.
Journal of Physics: Condensed Matter, Vol. 21, Issue 9
DOI: 10.1088/0953-8984/21/9/095410

De Haas - van Alphen susceptibility measurements on p-type Sb2Te3
journal, November 1967

Schwartz, H.; Björck, G.; Beckman, O.
Solid State Communications, Vol. 5, Issue 11
DOI: 10.1016/0038-1098(67)90326-2

Ab initio and molecular dynamics predictions for electron and phonon transport in bismuth telluride
journal, March 2008

Huang, Bao-Ling; Kaviany, Massoud
Physical Review B, Vol. 77, Issue 12
DOI: 10.1103/PhysRevB.77.125209

High efficiency Bi ₂ Te ₃ -based materials and devices for thermoelectric power generation between 100 and 300 °C
journal, January 2016

Hao, Feng; Qiu, Pengfei; Tang, Yunshan
Energy & Environmental Science, Vol. 9, Issue 10
DOI: 10.1039/C6EE02017H

Doping-dependent thermopower of PbTe from Boltzmann transport calculations
journal, May 2010

Singh, David J.
Physical Review B, Vol. 81, Issue 19
DOI: 10.1103/PhysRevB.81.195217

Bismuth Telluride and Its Alloys as Materials for Thermoelectric Generation
journal, March 2014

Goldsmid, H.
Materials, Vol. 7, Issue 4
DOI: 10.3390/ma7042577

Non-Parabolicity of the Highest Valence Band of Bi2Te3 from Shubnikov-de Haas Effect
journal, April 1976

Köhler, H.
physica status solidi (b), Vol. 74, Issue 2
DOI: 10.1002/pssb.2220740218

Multiple-Filled Skutterudites: High Thermoelectric Figure of Merit through Separately Optimizing Electrical and Thermal Transports
journal, May 2011

Shi, Xun; Yang, Jiong; Salvador, James R.
Journal of the American Chemical Society, Vol. 133, Issue 20
DOI: 10.1021/ja111199y

High Power Factor and Enhanced Thermoelectric Performance of SnTe-AgInTe ₂ : Synergistic Effect of Resonance Level and Valence Band Convergence
journal, September 2016

Banik, Ananya; Shenoy, U. Sandhya; Saha, Sujoy
Journal of the American Chemical Society, Vol. 138, Issue 39
DOI: 10.1021/jacs.6b08382

Low-Symmetry Rhombohedral GeTe Thermoelectrics
journal, May 2018

Li, Juan; Zhang, Xinyue; Chen, Zhiwei
Joule, Vol. 2, Issue 5
DOI: 10.1016/j.joule.2018.02.016

Complex thermoelectric materials
journal, February 2008

Snyder, G. Jeffrey; Toberer, Eric S.
Nature Materials, Vol. 7, Issue 2, p. 105-114
DOI: 10.1038/nmat2090

Effect of $p_{1 / 2}$ corrections in the electronic structure of ${Bi}_{2} {Te}_{3}$ compounds
journal, October 2003

Larson, P.
Physical Review B, Vol. 68, Issue 15
DOI: 10.1103/PhysRevB.68.155121

New Semiconducting Compounds
journal, January 1956

Mooser, E.; Pearson, W. B.
Physical Review, Vol. 101, Issue 1
DOI: 10.1103/PhysRev.101.492

The use of semiconductors in thermoelectric refrigeration
journal, November 1954

Goldsmid, H. J.; Douglas, R. W.
British Journal of Applied Physics, Vol. 5, Issue 11
DOI: 10.1088/0508-3443/5/11/303

Nonparabolicity of the conduction band and anisotropy of the electron effective mass in $n$ - ${Bi}_{2}$ ${Se}_{3}$ single crystals
journal, January 1979

Tichý, L.; Horák, J.
Physical Review B, Vol. 19, Issue 2
DOI: 10.1103/PhysRevB.19.1126

Connecting Thermoelectric Performance and Topological-Insulator Behavior: ${Bi}_{2} {Te}_{3}$ and ${Bi}_{2} {Te}_{2} Se$ from First Principles
journal, January 2015

Shi, Hongliang; Parker, David; Du, Mao-Hua
Physical Review Applied, Vol. 3, Issue 1
DOI: 10.1103/PhysRevApplied.3.014004

Spin-orbit interaction effect in the electronic structure of Bi ₂ Te ₃ observed by angle-resolved photoemission spectroscopy
journal, February 2008

Noh, H. -J.; Koh, H.; Oh, S. -J.
EPL (Europhysics Letters), Vol. 81, Issue 5
DOI: 10.1209/0295-5075/81/57006

High Three-Dimensional Thermoelectric Performance from Low-Dimensional Bands
journal, April 2013

Parker, David; Chen, Xin; Singh, David J.
Physical Review Letters, Vol. 110, Issue 14
DOI: 10.1103/PhysRevLett.110.146601

Transport coefficients of titanium-doped Sb2Te3 single crystals
journal, April 2005

Drašar, Č.; Steinhart, M.; Lošťák, P.
Journal of Solid State Chemistry, Vol. 178, Issue 4
DOI: 10.1016/j.jssc.2005.02.005

Band Engineering of Thermoelectric Materials
journal, October 2012

Pei, Yanzhong; Wang, Heng; Snyder, G. J.
Advanced Materials, Vol. 24, Issue 46
DOI: 10.1002/adma.201202919

Enhanced Thermoelectric Properties of Pb-doped BiCuSeO Ceramics
journal, July 2013

Lan, Jin-Le; Liu, Yao-Chun; Zhan, Bin
Advanced Materials, Vol. 25, Issue 36
DOI: 10.1002/adma.201301675

Ambipolar field effect in the ternary topological insulator (BixSb1–x)2Te3 by composition tuning
journal, October 2011

Kong, Desheng; Chen, Yulin; Cha, Judy J.
Nature Nanotechnology, Vol. 6, Issue 11
DOI: 10.1038/nnano.2011.172

Spin-orbit coupling in quasiparticle studies of topological insulators
journal, October 2013

Aguilera, Irene; Friedrich, Christoph; Blügel, Stefan
Physical Review B, Vol. 88, Issue 16
DOI: 10.1103/PhysRevB.88.165136

$p$ -type ${Bi}_{2} {Se}_{3}$ for topological insulator and low-temperature thermoelectric applications
journal, May 2009

Hor, Y. S.; Richardella, A.; Roushan, P.
Physical Review B, Vol. 79, Issue 19, Article No. 195208
DOI: 10.1103/PhysRevB.79.195208

Convergence of Conduction Bands as a Means of Enhancing Thermoelectric Performance of $n$ -Type ${Mg}_{2} {Si}_{1 - x} {Sn}_{x}$ Solid Solutions
journal, April 2012

Liu, Wei; Tan, Xiaojian; Yin, Kang
Physical Review Letters, Vol. 108, Issue 16
DOI: 10.1103/PhysRevLett.108.166601

Quasiparticle band gap in the topological insulator Bi $_{2}$ Te $_{3}$
journal, October 2013

Nechaev, I. A.; Chulkov, E. V.
Physical Review B, Vol. 88, Issue 16
DOI: 10.1103/PhysRevB.88.165135

Unusual n-type thermoelectric properties of Bi2Te3 doped with divalent alkali earth metals
journal, January 2019

Byun, Sejin; Cha, Joonil; Zhou, Chongjian
Journal of Solid State Chemistry, Vol. 269
DOI: 10.1016/j.jssc.2018.10.012

Chalcopyrite CuGaTe2: A High-Efficiency Bulk Thermoelectric Material
journal, June 2012

Plirdpring, Theerayuth; Kurosaki, Ken; Kosuga, Atsuko
Advanced Materials, Vol. 24, Issue 27
DOI: 10.1002/adma.201200732

Manipulation of Band Structure and Interstitial Defects for Improving Thermoelectric SnTe
journal, June 2018

Tang, Jing; Gao, Bo; Lin, Siqi
Advanced Functional Materials, Vol. 28, Issue 34
DOI: 10.1002/adfm.201803586

BoltzTraP. A code for calculating band-structure dependent quantities
journal, July 2006

Madsen, Georg K. H.; Singh, David J.
Computer Physics Communications, Vol. 175, Issue 1
DOI: 10.1016/j.cpc.2006.03.007

Atomic Disorders Induced by Silver and Magnesium Ion Migrations Favor High Thermoelectric Performance in α-MgAgSb-Based Materials
journal, September 2015

Li, Dandan; Zhao, Huaizhou; Li, Shanming
Advanced Functional Materials, Vol. 25, Issue 41
DOI: 10.1002/adfm.201503022

High Thermoelectric Performance in Non-Toxic Earth-Abundant Copper Sulfide
journal, March 2014

He, Ying; Day, Tristan; Zhang, Tiansong
Advanced Materials, Vol. 26, Issue 23
DOI: 10.1002/adma.201400515

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
journal, June 2009

Tran, Fabien; Blaha, Peter
Physical Review Letters, Vol. 102, Issue 22
DOI: 10.1103/PhysRevLett.102.226401

Good semiconductor band gaps with a modified local-density approximation
journal, April 1990

Bylander, D. M.; Kleinman, Leonard
Physical Review B, Vol. 41, Issue 11
DOI: 10.1103/PhysRevB.41.7868

Burstein Shift of the Absorption Edge of nBi2Se3
journal, May 1974

Köhler, H.; Hartmann, J.
physica status solidi (b), Vol. 63, Issue 1
DOI: 10.1002/pssb.2220630116

First-principles study of the electronic, optical, and lattice vibrational properties of ${AgSbTe}_{2}$
journal, June 2008

Ye, Lin-Hui; Hoang, Khang; Freeman, A. J.
Physical Review B, Vol. 77, Issue 24
DOI: 10.1103/PhysRevB.77.245203

Tuning the carrier scattering mechanism to effectively improve the thermoelectric properties
journal, January 2017

Shuai, Jing; Mao, Jun; Song, Shaowei
Energy & Environmental Science, Vol. 10, Issue 3
DOI: 10.1039/C7EE00098G

Large electronic-density increase on cooling a layered metal: Doped ${Bi}_{2}$ ${Te}_{3}$
journal, July 1992

Thomas, G. A.; Rapkine, D. H.; Van Dover, R. B.
Physical Review B, Vol. 46, Issue 3
DOI: 10.1103/PhysRevB.46.1553

Compound tellurides and their alloys for peltier cooling—A review
journal, October 1972

Yim, W. M.; Rosi, F. D.
Solid-State Electronics, Vol. 15, Issue 10
DOI: 10.1016/0038-1101(72)90172-4

The Band Structure of Bismuth Telluride
journal, January 1969

Katsuki, Shin-ichi
Journal of the Physical Society of Japan, Vol. 26, Issue 1
DOI: 10.1143/JPSJ.26.58

Hybrid-density functional theory study on the band structures of tetradymite-Bi2Te3, Sb2Te3, Bi2Se3, and Sb2Se3 thermoelectric materials
journal, December 2016

Park, Sudong; Ryu, Byungki
Journal of the Korean Physical Society, Vol. 69, Issue 11
DOI: 10.3938/jkps.69.1683

Structural modifications and non-monotonic carrier concentration in Bi2Se0.3Te2.7 by reversible electrochemical lithium reactions
journal, March 2013

Chen, Jikun; Zhou, Xiaoyuan; Uher, Ctirad
Acta Materialia, Vol. 61, Issue 5
DOI: 10.1016/j.actamat.2012.11.028

Compromise and Synergy in High-Efficiency Thermoelectric Materials
journal, March 2017

Zhu, Tiejun; Liu, Yintu; Fu, Chenguang
Advanced Materials, Vol. 29, Issue 14
DOI: 10.1002/adma.201605884

Electron Crystals and Phonon Glasses: A New Path to Improved Thermoelectric Materials
journal, January 1998

Sales, Brian C.
MRS Bulletin, Vol. 23, Issue 1
DOI: 10.1557/S0883769400031419

Phonons and related crystal properties from density-functional perturbation theory
journal, July 2001

Baroni, Stefano; de Gironcoli, Stefano; Dal Corso, Andrea
Reviews of Modern Physics, Vol. 73, Issue 2
DOI: 10.1103/RevModPhys.73.515

Materials for thermoelectric refrigeration
journal, July 1959

Rosi, F. D.; Abeles, B.; Jensen, R. V.
Journal of Physics and Chemistry of Solids, Vol. 10, Issue 2-3
DOI: 10.1016/0022-3697(59)90074-5

Investigation of the conduction band fermi surface in Bi2Se3 at high electron concentrations
journal, June 1975

Köhler, H.; Fischer, H.
physica status solidi (b), Vol. 69, Issue 2
DOI: 10.1002/pssb.2220690205

de Haas-van Alphen Effect in $n$ -Type ${Bi}_{2}$ ${Te}_{3}$
journal, November 1968

Mallinson, R. B.; Rayne, J. A.; Ure, R. W.
Physical Review, Vol. 175, Issue 3
DOI: 10.1103/PhysRev.175.1049

High thermoelectric performance in (Bi 0.25 Sb 0.75 ) 2 Te 3 due to band convergence and improved by carrier concentration control
journal, October 2017

Kim, Hyun-Sik; Heinz, Nicholas A.; Gibbs, Zachary M.
Materials Today, Vol. 20, Issue 8
DOI: 10.1016/j.mattod.2017.02.007

Effect of process parameters of microwave activated hot pressing on the microstructure and thermoelectric properties of Bi2Te3-based alloys
journal, May 2015

Fan, Xi’an; Rong, Zhenzhou; Yang, Fan
Journal of Alloys and Compounds, Vol. 630
DOI: 10.1016/j.jallcom.2015.01.075

Linear methods in band theory
journal, October 1975

Andersen, O. Krogh
Physical Review B, Vol. 12, Issue 8
DOI: 10.1103/PhysRevB.12.3060

Accurate and simple analytic representation of the electron-gas correlation energy
journal, June 1992

Perdew, John P.; Wang, Yue
Physical Review B, Vol. 45, Issue 23, p. 13244-13249
DOI: 10.1103/PhysRevB.45.13244

Evidence for a direct band gap in the topological insulator Bi $_{2}$ Se $_{3}$ from theory and experiment
journal, March 2013

Nechaev, I. A.; Hatch, R. C.; Bianchi, M.
Physical Review B, Vol. 87, Issue 12
DOI: 10.1103/PhysRevB.87.121111

Phonon thermal transport in ${Bi}_{2} {Te}_{3}$ from first principles
journal, October 2014

Hellman, Olle; Broido, David A.
Physical Review B, Vol. 90, Issue 13
DOI: 10.1103/PhysRevB.90.134309

Lattice dynamics of anharmonic solids from first principles
journal, November 2011

Hellman, O.; Abrikosov, I. A.; Simak, S. I.
Physical Review B, Vol. 84, Issue 18
DOI: 10.1103/PhysRevB.84.180301

Galvanomagnetic Properties of Bi2Se3with Free Carrier Densities below 5 × 1017 cm−3
journal, October 1975

Köhler, H.; Fabbicius, A.
physica status solidi (b), Vol. 71, Issue 2
DOI: 10.1002/pssb.2220710209

Electronic structure and transport anisotropy of Bi $_{2}$ Te $_{3}$ and Sb $_{2}$ Te $_{3}$
journal, October 2011

Yavorsky, B. Yu.; Hinsche, N. F.; Mertig, I.
Physical Review B, Vol. 84, Issue 16
DOI: 10.1103/PhysRevB.84.165208

Electrical and optical properties of some M2v−bN3vi−b semiconductors
journal, January 1957

Black, J.; Conwell, E. M.; Seigle, L.
Journal of Physics and Chemistry of Solids, Vol. 2, Issue 3
DOI: 10.1016/0022-3697(57)90090-2

Molecular dynamics simulations of lattice thermal conductivity of bismuth telluride using two-body interatomic potentials
journal, October 2009

Qiu, Bo; Ruan, Xiulin
Physical Review B, Vol. 80, Issue 16
DOI: 10.1103/PhysRevB.80.165203

Copper ion liquid-like thermoelectrics
journal, March 2012

Liu, Huili; Shi, Xun; Xu, Fangfang
Nature Materials, Vol. 11, Issue 5, p. 422-425
DOI: 10.1038/nmat3273

Transport Properties of Bi2−xInxSe3 Single Crystals
journal, September 2001

Navrátil, J.; Plecháček, T.; Horák, J.
Journal of Solid State Chemistry, Vol. 160, Issue 2
DOI: 10.1006/jssc.2001.9323

Phonon spectrum and bonding properties of Bi ₂ Se ₃ : Role of strong spin-orbit interaction
journal, February 2012

Wang, Bao-Tian; Zhang, Ping
Applied Physics Letters, Vol. 100, Issue 8
DOI: 10.1063/1.3689759

Topological materials
journal, August 2012

Yan, Binghai; Zhang, Shou-Cheng
Reports on Progress in Physics, Vol. 75, Issue 9
DOI: 10.1088/0034-4885/75/9/096501

Grain boundary dominated charge transport in Mg ₃ Sb ₂ -based compounds
journal, January 2018

Kuo, Jimmy Jiahong; Kang, Stephen Dongmin; Imasato, Kazuki
Energy & Environmental Science, Vol. 11, Issue 2
DOI: 10.1039/C7EE03326E

Lattice thermal conductivity of (Bi $_{1 - x}$ Sb $_{x}$ ) $_{2}$ Te $_{3}$ alloys with embedded nanoparticles
journal, March 2012

Katcho, N. A.; Mingo, N.; Broido, D. A.
Physical Review B, Vol. 85, Issue 11
DOI: 10.1103/PhysRevB.85.115208

Enhanced Thermoelectric Performance in 18-Electron Nb _0.8 CoSb Half-Heusler Compound with Intrinsic Nb Vacancies
journal, January 2018

Xia, Kaiyang; Liu, Yintu; Anand, Shashwat
Advanced Functional Materials, Vol. 28, Issue 9
DOI: 10.1002/adfm.201705845

Similar Records in DOE PAGES and OSTI.GOV collections:

Complex Band Structures and Lattice Dynamics of Bi ₂ Te ₃ -Based Compounds and Solid Solutions

Journal Article Fang, Teng ; Li, Xin ; Hu, Chaoliang ; ... - Advanced Functional Materials

Not provided.
https://doi.org/10.1002/adfm.201900677
Wettability, energy of adhesion, and contact resistance at the interface of single crystals of solid solutions in the system Bi/sub 2/Te/sub 3/-Sb/sub 2/Te/sub 3/ with contact materials based on Bi, Sn, Pb, and Cd

Journal Article Dzhamalov, N A ; Feiziev, Ya S ; Barkhalov, B Sh ; ... - Inorg. Mater. (Engl. Transl.); (United States)

The authors study the surface tension of different alloys based on bismuth, tin, lead and cadmium and the equilibrium angle of contact for crystals wetted by solid solutions in the bismuth telluride-antimony telluride system and the electrical resistance of transitional contacts at the interface of the alloy material with the crystal of the solid solution. They also investigate the dependence of the surface tension and wetting angle on temperature and the dependence of the resistivity and wetting angle on the state of the wetted surfaces. Results are tabulated.
Forbidden-band width in solid solutions of the Bi/sub 2/Te/sub 3/-In/sub 2/Se/sub 3/ system

Journal Article Kakhramanov, K S ; Roshal', R M ; Kasimov, M I ; ... - Inorg. Mater. (Engl. Transl.); (United States)

The forbidden-band widths in solid solutions of the Bi/sub 2/Te/sub 3/-In/sub 2/Se/sub 3/ system from the Bi/sub 2/Te/sub 3/ side was obtained both from the temperature-dependent electrical conductivity as well as from the optical absorption edge. The samples were obtained by zone recrystallization. The thermal forbidden-band width E/sub g/ was found to be in good agreement with the optical value. Comparing the dependence of E/sub g/ on composition of the solid solution in the Bi/sub 2/Te/sub 3/-In/sub 2/Se/sub 3/ systems with the analogous dependence in the Bi/sub 2/Te/sub 3/-Bi/sub 2/Se/sub 3/ system, it was seen that dissolving In/sub 2/Se/sub 3/more »« less
Effect of heat treatment on the heterojunction resistance at the interface between single crystals of solid solutions of the Bi/sub 2/Te/sub 3/-Be/sub 2/Se/sub 3/ and Bi/sub 2/Te/sub 3/-Sb/sub 2/Te/sub 3/ systems and alloys of Bi with Sn and Bi with Sb

Journal Article Alieva, T D ; Barkhalov, B Sh ; Akhundova, N M ; ... - Inorg. Mater. (Engl. Transl.); (United States)

The authors investigate the effect of heat treatment on the interface of single crystals of solid solutions of the systems Bi/sub 2/Te/sub 3/-Bi/sub 2/Se/sub 3/ and Bi/sub 2/Te/sub 3/-Sb/sub 2/Te/sub 3/ and the alloys Bi-Sn and Bi-Sb. Two methods were considered. In the first method, the surfaces of the samples were mechanically ground with an abrasive paste before treatment, and in the second method they were not ground. Methods of treatment were chemical etching, electrochemical etching, rubbing of the surfaces with cotton balls, and wetting with electrochemical-etching solutions. Dependences of the junction-contact resistance of surfaces of crystals of solid solutionsmore »« less
Improvement of the quality of semiconductor thermocells employing solid solutions of Bi/sub 2/Te/sub 3/--Bi/sub 2/Se/sub 3/ and Bi/sub 2/Te/sub 3/--Sb/sub 2/Te/sub 3/

Journal Article Malygin, E A ; Khazanov, M G - Appl. Solar Energy (USSR) (Engl. Transl.); (United States)

Similar Records

Title: Complex Band Structures and Lattice Dynamics of Bi 2 Te 3 ‐Based Compounds and Solid Solutions

Citation Formats

Linear augmented-plane-wave calculation of the structural properties of bulk Cr, Mo, and W journal, January 1986

Generalized Gradient Approximation Made Simple journal, October 1996

Self-Tuning n-Type Bi 2 (Te,Se) 3 /SiC Thermoelectric Nanocomposites to Realize High Performances up to 300 °C journal, August 2017

Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces: O 2 molecule journal, July 1981

Defect structure of Pb-doped Bi 2 Te 3 single crystals journal, July 2004

Magnetoelectric interaction and transport behaviours in magnetic nanocomposite thermoelectric materials journal, October 2016

Experimental study of the valence band of Bi 2 Se 3 journal, September 2014

Projector augmented-wave method journal, December 1994

High thermoelectric performance in Bi 0.46 Sb 1.54 Te 3 nanostructured with ZnTe journal, January 2018

Determination of the valence band dispersions for Bi2Se3 using angle resolved photoemission journal, December 2002

Lattice Thermal Conductivity of Disordered Semiconductor Alloys at High Temperatures journal, September 1963

First-principles electronic structure and its relation to thermoelectric properties of Bi 2 Te 3 journal, February 2001

Experimental Realization of a Three-Dimensional Topological Insulator, Bi2Te3 journal, June 2009

High Performance Thermoelectric Materials: Progress and Their Applications journal, November 2017

Effect of Pressure on the Energy Gap of Bi 2 Te 3 journal, September 1961

Effects of uniaxial and hydrostatic pressure on the valence band maximum in Sb 2 Te 3 : An electronic structure study journal, November 2006

The Optical Properties of Bismuth Telluride journal, October 1958

Untersuchung der intermetallischen Verbindung Bi2Te3 sowie der festen Lösungen Bi2-xSbxTe3 und Bi2Te3-xSex hinsichtlich ihrer Eignung als Material für Halbleiter-Thermoelemente journal, September 1958

Electronic structure and transport of Bi 2 Te 3 and BaBiTe 3 journal, March 2000

First-principles investigations of the atomic, electronic, and thermoelectric properties of equilibrium and strained Bi 2 Se 3 and Bi 2 Te 3 including van der Waals interactions journal, November 2012

Convergence of electronic bands for high performance bulk thermoelectrics journal, May 2011

Spin Polarization and Transport of Surface States in the Topological Insulators Bi 2 Se 3 and Bi 2 Te 3 from First Principles journal, December 2010

Lattice dynamics and chemical bonding in Sb 2 Te 3 from first-principles calculations journal, May 2015

Lattice Thermal Conductivity Calculation of Sb2Te3 using Molecular Dynamics Simulations journal, November 2018

Acoustic impedance and interface phonon scattering in Bi 2 Te 3 and other semiconducting materials journal, January 2013

On the Design of High-Efficiency Thermoelectric Clathrates through a Systematic Cross-Substitution of Framework Elements journal, March 2010

Determination of the energy band gap of Bi2Se3 journal, July 2017

Evaluation of Half-Heusler Compounds as Thermoelectric Materials Based on the Calculated Electrical Transport Properties journal, October 2008

High thermoelectric performance in Te-free (Bi,Sb) 2 Se 3 via structural transition induced band convergence and chemical bond softening journal, January 2016

Electronic structure and thermoelectric properties of bismuth telluride and bismuth selenide journal, January 1997

Hall Coefficient Behavior and the Second Valence Band in Lead Telluride journal, January 1966

Electronic structure of Bi 2 X 3 ( X = S , Se , T ) compounds: Comparison of theoretical calculations with photoemission studies journal, February 2002

First-principles studies of the three-dimensional strong topological insulators Bi 2 Te 3 , Bi 2 Se 3 and Sb 2 Te 3 journal, June 2010

Defects in Bi 2 Te 3− x Se x single crystals journal, March 2010

New Insights into Intrinsic Point Defects in V 2 VI 3 Thermoelectric Materials journal, March 2016

Recent Studies of Bismuth Telluride and Its Alloys journal, October 1961

Quasiparticle electronic structure of bismuth telluride in the G W approximation journal, December 2010

Screened exchange LDA determination of the ground and excited state properties of thermoelectrics: Bi 2 Te 3 journal, July 2005

Tetradymites as thermoelectrics and topological insulators journal, September 2017

Advances in thermoelectric materials research: Looking back and moving forward journal, September 2017

High Efficiency Half-Heusler Thermoelectric Materials for Energy Harvesting journal, July 2015

Shifting up the optimum figure of merit of p-type bismuth telluride-based thermoelectric materials for power generation by suppressing intrinsic conduction journal, February 2014

Massive Dirac Fermion on the Surface of a Magnetically Doped Topological Insulator journal, August 2010

Effect of quantum-well structures on the thermoelectric figure of merit journal, May 1993

Ground-state properties of lanthanum: Treatment of extended-core states journal, March 1991

Optical band gap and the Burstein–Moss effect in iodine doped PbTe using diffuse reflectance infrared Fourier transform spectroscopy journal, July 2013

Non-ParabolicE(k) Relation of the Lowest Conduction Band in Bi2 Te3 journal, January 1976

Electronic properties of Bi2Se3 crystals journal, January 1974

Shubnikov-de Haas effect in p-type Sb2 Te3 journal, August 1973

Preparation and some physical properties of tetradymite-type Sb2Te3 single crystals doped with CdS journal, January 2001

Conduction band splitting and transport properties of Bi2Se3 journal, April 2004

Investigation of effective mass of carriers in Bi2Te3/Sb2Te3 superlattices via electronic structure studies on its component crystals journal, October 2006

Lanthanide Contraction as a Design Factor for High-Performance Half-Heusler Thermoelectric Materials journal, June 2018

Surface Scattering via Bulk Continuum States in the 3D Topological Insulator Bi 2 Se 3 journal, July 2011

Band structure of bismuth telluride, bismuth selenide and their respective alloys journal, October 1965

The crystal structure of Bi2Te3−xSex journal, March 1963

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

G W study of topological insulators Bi 2 Se 3 , Bi 2 Te 3 , and Sb 2 Te 3 : Beyond the perturbative one-shot approach journal, July 2013

Chemical bonding in bismuth telluride journal, January 1958

Thermal and Optical Energy Gaps in PbTe journal, December 1966

Large Improvement in Thermoelectric Properties in Pressure-Tuned p-Type Sb 1.5 Bi 0.5 Te 3 journal, June 2001

Transport coefficients from first-principles calculations journal, September 2003

Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface journal, May 2009

Accurate Ab Initio Quantum Mechanics Simulations of Bi 2 Se 3 and Bi 2 Te 3 Topological Insulator Surfaces journal, September 2015

Effects of extrinsic and intrinsic perturbations on the electronic structure of graphene: Retaining an effective primitive cell band structure by band unfolding journal, January 2014

Reflectivity of iodine-doped Sb2Te3 crystals journal, November 1972

Vibrations in binary and ternary topological insulators: First-principles calculations and Raman spectroscopy measurements journal, November 2012

THERMOELECTRIC PROPERTIES OF n-TYPE Bi 2 Te 3 –Bi 2 Se 3 ALLOYS journal, November 1967

Investigation of the Valence Band Structure of Thermoelectric (Bi1−xSbx)2Te3 Single Crystals journal, November 1988

Valleytronics in thermoelectric materials journal, February 2018

Conduction Band Parameters of Bi2See from Shubnikov-de Haas Investigations journal, July 1973

High thermoelectric performance of p-BiSbTe compounds prepared by ultra-fast thermally induced reaction journal, January 2017

Effects of van der Waals interactions and quasiparticle corrections on the electronic and transport properties of Bi 2 Te 3 journal, August 2014

Electronic structure of the thermoelectric materials Bi 2 Te 3 and Sb 2 Te 3 from first-principles calculations journal, August 2007

De Haas-van Alphen and high field galvanomagnetic studies of the Bi2Te3 valence band structure journal, June 1963

The electronic band structure of bismuth telluride journal, February 1968

Quasiparticle effects in the bulk and surface-state bands of Bi 2 Se 3 and Bi 2 Te 3 topological insulators journal, April 2012

On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective journal, February 2016

Title: Complex Band Structures and Lattice Dynamics of Bi ₂ Te ₃ ‐Based Compounds and Solid Solutions

Linear augmented-plane-wave calculation of the structural properties of bulk Cr, Mo, and W
journal, January 1986

Generalized Gradient Approximation Made Simple
journal, October 1996

Self-Tuning n-Type Bi ₂ (Te,Se) ₃ /SiC Thermoelectric Nanocomposites to Realize High Performances up to 300 °C
journal, August 2017

Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces: $O_{2}$ molecule
journal, July 1981

Defect structure of Pb-doped Bi ₂ Te ₃ single crystals
journal, July 2004

Magnetoelectric interaction and transport behaviours in magnetic nanocomposite thermoelectric materials
journal, October 2016

Experimental study of the valence band of ${Bi}_{2} {Se}_{3}$
journal, September 2014

Projector augmented-wave method
journal, December 1994

High thermoelectric performance in Bi _0.46 Sb _1.54 Te ₃ nanostructured with ZnTe
journal, January 2018

Determination of the valence band dispersions for Bi2Se3 using angle resolved photoemission
journal, December 2002

Lattice Thermal Conductivity of Disordered Semiconductor Alloys at High Temperatures
journal, September 1963

First-principles electronic structure and its relation to thermoelectric properties of ${Bi}_{2} {Te}_{3}$
journal, February 2001

Experimental Realization of a Three-Dimensional Topological Insulator, Bi₂Te₃
journal, June 2009

High Performance Thermoelectric Materials: Progress and Their Applications
journal, November 2017

Effect of Pressure on the Energy Gap of Bi ₂ Te ₃
journal, September 1961

Effects of uniaxial and hydrostatic pressure on the valence band maximum in ${Sb}_{2} {Te}_{3}$ : An electronic structure study
journal, November 2006

The Optical Properties of Bismuth Telluride
journal, October 1958

Untersuchung der intermetallischen Verbindung Bi2Te3 sowie der festen Lösungen Bi2-xSbxTe3 und Bi2Te3-xSex hinsichtlich ihrer Eignung als Material für Halbleiter-Thermoelemente
journal, September 1958

Electronic structure and transport of ${Bi}_{2} {Te}_{3}$ and ${BaBiTe}_{3}$
journal, March 2000

First-principles investigations of the atomic, electronic, and thermoelectric properties of equilibrium and strained Bi $_{2}$ Se $_{3}$ and Bi $_{2}$ Te $_{3}$ including van der Waals interactions
journal, November 2012

Convergence of electronic bands for high performance bulk thermoelectrics
journal, May 2011

Spin Polarization and Transport of Surface States in the Topological Insulators ${Bi}_{2} {Se}_{3}$ and ${Bi}_{2} {Te}_{3}$ from First Principles
journal, December 2010

Lattice dynamics and chemical bonding in Sb ₂ Te ₃ from first-principles calculations
journal, May 2015

Lattice Thermal Conductivity Calculation of Sb2Te3 using Molecular Dynamics Simulations
journal, November 2018

Acoustic impedance and interface phonon scattering in Bi $_{2}$ Te $_{3}$ and other semiconducting materials
journal, January 2013

On the Design of High-Efficiency Thermoelectric Clathrates through a Systematic Cross-Substitution of Framework Elements
journal, March 2010

Determination of the energy band gap of Bi2Se3
journal, July 2017

Evaluation of Half-Heusler Compounds as Thermoelectric Materials Based on the Calculated Electrical Transport Properties
journal, October 2008

High thermoelectric performance in Te-free (Bi,Sb) ₂ Se ₃ via structural transition induced band convergence and chemical bond softening
journal, January 2016

Electronic structure and thermoelectric properties of bismuth telluride and bismuth selenide
journal, January 1997

Hall Coefficient Behavior and the Second Valence Band in Lead Telluride
journal, January 1966

Electronic structure of ${Bi}_{2} X_{3}$ $(X = S, Se, T)$ compounds: Comparison of theoretical calculations with photoemission studies
journal, February 2002

First-principles studies of the three-dimensional strong topological insulators Bi ₂ Te ₃ , Bi ₂ Se ₃ and Sb ₂ Te ₃
journal, June 2010

Defects in Bi ₂ Te _{3− x} Se _x single crystals
journal, March 2010

New Insights into Intrinsic Point Defects in V ₂ VI ₃ Thermoelectric Materials
journal, March 2016

Recent Studies of Bismuth Telluride and Its Alloys
journal, October 1961

Quasiparticle electronic structure of bismuth telluride in the $G W$ approximation
journal, December 2010

Screened exchange LDA determination of the ground and excited state properties of thermoelectrics: ${Bi}_{2} {Te}_{3}$
journal, July 2005

Tetradymites as thermoelectrics and topological insulators
journal, September 2017

Advances in thermoelectric materials research: Looking back and moving forward
journal, September 2017

High Efficiency Half-Heusler Thermoelectric Materials for Energy Harvesting
journal, July 2015

Shifting up the optimum figure of merit of p-type bismuth telluride-based thermoelectric materials for power generation by suppressing intrinsic conduction
journal, February 2014

Massive Dirac Fermion on the Surface of a Magnetically Doped Topological Insulator
journal, August 2010

Effect of quantum-well structures on the thermoelectric figure of merit
journal, May 1993

Ground-state properties of lanthanum: Treatment of extended-core states
journal, March 1991

Optical band gap and the Burstein–Moss effect in iodine doped PbTe using diffuse reflectance infrared Fourier transform spectroscopy
journal, July 2013

Non-ParabolicE(k) Relation of the Lowest Conduction Band in Bi2 Te3
journal, January 1976

Electronic properties of Bi2Se3 crystals
journal, January 1974

Shubnikov-de Haas effect in p-type Sb2 Te3
journal, August 1973

Preparation and some physical properties of tetradymite-type Sb2Te3 single crystals doped with CdS
journal, January 2001

Conduction band splitting and transport properties of Bi2Se3
journal, April 2004

Investigation of effective mass of carriers in Bi2Te3/Sb2Te3 superlattices via electronic structure studies on its component crystals
journal, October 2006

Lanthanide Contraction as a Design Factor for High-Performance Half-Heusler Thermoelectric Materials
journal, June 2018

Surface Scattering via Bulk Continuum States in the 3D Topological Insulator ${Bi}_{2} {Se}_{3}$
journal, July 2011

Band structure of bismuth telluride, bismuth selenide and their respective alloys
journal, October 1965

The crystal structure of Bi2Te3−xSex
journal, March 1963

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

$G W$ study of topological insulators Bi $_{2}$ Se $_{3}$ , Bi $_{2}$ Te $_{3}$ , and Sb $_{2}$ Te $_{3}$ : Beyond the perturbative one-shot approach
journal, July 2013

Chemical bonding in bismuth telluride
journal, January 1958

Thermal and Optical Energy Gaps in PbTe
journal, December 1966

Large Improvement in Thermoelectric Properties in Pressure-Tuned p-Type Sb _1.5 Bi _0.5 Te ₃
journal, June 2001

Transport coefficients from first-principles calculations
journal, September 2003

Topological insulators in Bi₂Se₃, Bi₂Te₃ and Sb₂Te₃ with a single Dirac cone on the surface
journal, May 2009

Accurate Ab Initio Quantum Mechanics Simulations of Bi ₂ Se ₃ and Bi ₂ Te ₃ Topological Insulator Surfaces
journal, September 2015

Effects of extrinsic and intrinsic perturbations on the electronic structure of graphene: Retaining an effective primitive cell band structure by band unfolding
journal, January 2014

Reflectivity of iodine-doped Sb2Te3 crystals
journal, November 1972

Vibrations in binary and ternary topological insulators: First-principles calculations and Raman spectroscopy measurements
journal, November 2012

THERMOELECTRIC PROPERTIES OF n-TYPE Bi ₂ Te ₃ –Bi ₂ Se ₃ ALLOYS
journal, November 1967

Investigation of the Valence Band Structure of Thermoelectric (Bi1−xSbx)2Te3 Single Crystals
journal, November 1988

Valleytronics in thermoelectric materials
journal, February 2018

Conduction Band Parameters of Bi2See from Shubnikov-de Haas Investigations
journal, July 1973

High thermoelectric performance of p-BiSbTe compounds prepared by ultra-fast thermally induced reaction
journal, January 2017

Effects of van der Waals interactions and quasiparticle corrections on the electronic and transport properties of ${Bi}_{2} {Te}_{3}$
journal, August 2014

Electronic structure of the thermoelectric materials ${Bi}_{2} {Te}_{3}$ and ${Sb}_{2} {Te}_{3}$ from first-principles calculations
journal, August 2007

De Haas-van Alphen and high field galvanomagnetic studies of the Bi2Te3 valence band structure
journal, June 1963

The electronic band structure of bismuth telluride
journal, February 1968

Quasiparticle effects in the bulk and surface-state bands of Bi $_{2}$ Se $_{3}$ and Bi $_{2}$ Te $_{3}$ topological insulators
journal, April 2012

On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective
journal, February 2016

Enhancing room temperature thermoelectric performance of n -type polycrystalline bismuth-telluride-based alloys via Ag doping and hot deformation
journal, September 2017