Orbitally-driven giant phonon anharmonicity in SnSe
Abstract
We understand that elementary excitations and their couplings in condensed matter systems is critical to develop better energy-conversion devices. In thermoelectric materials, the heat-to-electricity conversion efficiency is directly improved by suppressing the propagation of phonon quasiparticles responsible for macroscopic thermal transport. The material with the current record for thermoelectric conversion efficiency, SnSe, achieves an ultra-low thermal conductivity, but the mechanism enabling this strong phonon scattering remains largely unknown. Using inelastic neutron scattering measurements and first-principles simulations, we mapped the four-dimensional phonon dispersion surfaces of SnSe, and revealed the origin of ionic-potential anharmonicity responsible for the unique properties of SnSe. We show that the giant phonon scattering arises from an unstable electronic structure, with orbital interactions leading to a ferroelectric-like lattice instability. Our results provide a microscopic picture connecting electronic structure and phonon anharmonicity in SnSe, and offers precious insights on how electron-phonon and phononphonon interactions may lead to the realization of ultra-low thermal conductivity.
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). High Flux Isotope Reactor (HFIR); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1238005
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nature Physics
- Additional Journal Information:
- Journal Volume: 11; Journal Issue: 12; Journal ID: ISSN 1745-2473
- Publisher:
- Nature Publishing Group (NPG)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; density functional theory; electronic devices; electronic properties and materials; structure of solids and liquids
Citation Formats
Li, Chen W., Hong, Jiawang, May, Andrew F., Bansal, Dipanshu, Chi, Songxue, Hong, Tao, Ehlers, Georg, and Delaire, Olivier A. Orbitally-driven giant phonon anharmonicity in SnSe. United States: N. p., 2015.
Web. doi:10.1038/nphys3492.
Li, Chen W., Hong, Jiawang, May, Andrew F., Bansal, Dipanshu, Chi, Songxue, Hong, Tao, Ehlers, Georg, & Delaire, Olivier A. Orbitally-driven giant phonon anharmonicity in SnSe. United States. https://doi.org/10.1038/nphys3492
Li, Chen W., Hong, Jiawang, May, Andrew F., Bansal, Dipanshu, Chi, Songxue, Hong, Tao, Ehlers, Georg, and Delaire, Olivier A. Mon .
"Orbitally-driven giant phonon anharmonicity in SnSe". United States. https://doi.org/10.1038/nphys3492. https://www.osti.gov/servlets/purl/1238005.
@article{osti_1238005,
title = {Orbitally-driven giant phonon anharmonicity in SnSe},
author = {Li, Chen W. and Hong, Jiawang and May, Andrew F. and Bansal, Dipanshu and Chi, Songxue and Hong, Tao and Ehlers, Georg and Delaire, Olivier A.},
abstractNote = {We understand that elementary excitations and their couplings in condensed matter systems is critical to develop better energy-conversion devices. In thermoelectric materials, the heat-to-electricity conversion efficiency is directly improved by suppressing the propagation of phonon quasiparticles responsible for macroscopic thermal transport. The material with the current record for thermoelectric conversion efficiency, SnSe, achieves an ultra-low thermal conductivity, but the mechanism enabling this strong phonon scattering remains largely unknown. Using inelastic neutron scattering measurements and first-principles simulations, we mapped the four-dimensional phonon dispersion surfaces of SnSe, and revealed the origin of ionic-potential anharmonicity responsible for the unique properties of SnSe. We show that the giant phonon scattering arises from an unstable electronic structure, with orbital interactions leading to a ferroelectric-like lattice instability. Our results provide a microscopic picture connecting electronic structure and phonon anharmonicity in SnSe, and offers precious insights on how electron-phonon and phononphonon interactions may lead to the realization of ultra-low thermal conductivity.},
doi = {10.1038/nphys3492},
journal = {Nature Physics},
number = 12,
volume = 11,
place = {United States},
year = {Mon Oct 19 00:00:00 EDT 2015},
month = {Mon Oct 19 00:00:00 EDT 2015}
}
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Works referenced in this record:
Thermoelectric properties of p-type polycrystalline SnSe doped with Ag
journal, January 2014
- Chen, Cheng-Lung; Wang, Heng; Chen, Yang-Yuan
- Journal of Materials Chemistry A, Vol. 2, Issue 29, p. 11171-11176
Low thermal conductivity and triaxial phononic anisotropy of SnSe
journal, September 2014
- Carrete, Jesús; Mingo, Natalio; Curtarolo, Stefano
- Applied Physics Letters, Vol. 105, Issue 10
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
ShengBTE: A solver of the Boltzmann transport equation for phonons
journal, June 2014
- Li, Wu; Carrete, Jesús; A. Katcho, Nebil
- Computer Physics Communications, Vol. 185, Issue 6
Assessment of the thermoelectric performance of polycrystalline p-type SnSe
journal, May 2014
- Sassi, S.; Candolfi, C.; Vaney, J.-B.
- Applied Physics Letters, Vol. 104, Issue 21, Article No. 212105
Peierls distortion as a route to high thermoelectric performance in In4Se3-δ crystals
journal, June 2009
- Rhyee, Jong-Soo; Lee, Kyu Hyoung; Lee, Sang Mock
- Nature, Vol. 459, Issue 7249
Infrared and Raman spectra of the IV-VI compounds SnS and SnSe
journal, February 1977
- Chandrasekhar, H. R.; Humphreys, R. G.; Zwick, U.
- Physical Review B, Vol. 15, Issue 4
Mantid—Data analysis and visualization package for neutron scattering and SR experiments
journal, November 2014
- Arnold, O.; Bilheux, J. C.; Borreguero, J. M.
- Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 764
Localized vibrational modes in metallic solids
journal, October 1998
- Keppens, V.; Mandrus, D.; Sales, B. C.
- Nature, Vol. 395, Issue 6705
Glass-like phonon scattering from a spontaneous nanostructure in AgSbTe2
text, January 2014
- Ma, J.; Delaire, O.; May, A. F.
- arXiv
Resonant bonding leads to low lattice thermal conductivity
journal, April 2014
- Lee, Sangyeop; Esfarjani, Keivan; Luo, Tengfei
- Nature Communications, Vol. 5, Issue 1
High-resolution X-ray luminescence extension imaging
journal, February 2021
- Ou, Xiangyu; Qin, Xian; Huang, Bolong
- Nature, Vol. 590, Issue 7846
Anharmonic crystals
journal, January 1968
- Cowley, R. A.
- Reports on Progress in Physics, Vol. 31, Issue 1
High-Thermoelectric Performance of Nanostructured Bismuth Antimony Telluride Bulk Alloys
journal, May 2008
- Poudel, B.; Hao, Q.; Ma, Y.
- Science, Vol. 320, Issue 5876, p. 634-638
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
Ultralow Thermal Conductivity in Disordered, Layered WSe2 Crystals
journal, January 2007
- Chiritescu, C.; Cahill, D. G.; Nguyen, N.
- Science, Vol. 315, Issue 5810, p. 351-353
First-principles indicators of metallicity and cation off-centricity in the IV-VI rocksalt chalcogenides of divalent Ge, Sn, and Pb
journal, March 2003
- Waghmare, U. V.; Spaldin, N. A.; Kandpal, H. C.
- Physical Review B, Vol. 67, Issue 12
High-performance bulk thermoelectrics with all-scale hierarchical architectures
journal, September 2012
- Biswas, Kanishka; He, Jiaqing; Blum, Ivan D.
- Nature, Vol. 489, Issue 7416, p. 414-418
769. The stereochemistry of B subgroup metals. Part II. The inert pair
journal, January 1959
- Orgel, L. E.
- Journal of the Chemical Society (Resumed)
Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals
journal, April 2014
- Zhao, Li-Dong; Lo, Shih-Han; Zhang, Yongsheng
- Nature, Vol. 508, Issue 7496, p. 373-377
The new cold neutron chopper spectrometer at the Spallation Neutron Source: Design and performance
journal, August 2011
- Ehlers, G.; Podlesnyak, A. A.; Niedziela, J. L.
- Review of Scientific Instruments, Vol. 82, Issue 8
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
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
Avoided crossing of rattler modes in thermoelectric materials
journal, August 2008
- Christensen, Mogens; Abrahamsen, Asger B.; Christensen, Niels B.
- Nature Materials, Vol. 7, Issue 10
Glass-like phonon scattering from a spontaneous nanostructure in AgSbTe2
journal, June 2013
- Ma, J.; Delaire, O.; May, A. F.
- Nature Nanotechnology, Vol. 8, Issue 6
Systematic treatment of displacements, strains, and electric fields in density-functional perturbation theory
journal, July 2005
- Wu, Xifan; Vanderbilt, David; Hamann, D. R.
- Physical Review B, Vol. 72, Issue 3
Breakdown of phonon glass paradigm in La- and Ce-filled Fe4Sb12 skutterudites
journal, August 2008
- Koza, Michael Marek; Johnson, Mark Robert; Viennois, Romain
- Nature Materials, Vol. 7, Issue 10
Crystal stability and the theory of ferroelectricity
journal, October 1960
- Cochran, W.
- Advances in Physics, Vol. 9, Issue 36
Suppression of thermal conductivity by rattling modes in thermoelectric sodium cobaltate
journal, August 2013
- Voneshen, D. J.; Refson, K.; Borissenko, E.
- Nature Materials, Vol. 12, Issue 11
Complex thermoelectric materials
journal, February 2008
- Snyder, G. Jeffrey; Toberer, Eric S.
- Nature Materials, Vol. 7, Issue 2, p. 105-114
Diatomic Ferroelectrics
journal, October 1966
- Pawley, G. S.; Cochran, W.; Cowley, R. A.
- Physical Review Letters, Vol. 17, Issue 14
Neutron diffraction study of the structural phase transition in SnS and SnSe
journal, January 1986
- Chattopadhyay, T.; Pannetier, J.; Von Schnering, H. G.
- Journal of Physics and Chemistry of Solids, Vol. 47, Issue 9, p. 879-885
Systematic treatment of displacements, strains and electric fields in density-functional perturbation theory
text, January 2005
- Wu, Xifan; Vanderbilt, David; Hamann, D. R.
- arXiv
Tin sulfide, tellurium iodide ((Te2)2I2), and related compounds: symmetry-controlled deformations in solid-state materials
journal, January 1987
- Tremel, Wolfgang; Hoffmann, Roald
- Inorganic Chemistry, Vol. 26, Issue 1
Phonon Self-Energy and Origin of Anomalous Neutron Scattering Spectra in SnTe and PbTe Thermoelectrics
journal, April 2014
- Li, C. W.; Hellman, O.; Ma, J.
- Physical Review Letters, Vol. 112, Issue 17
Giant anharmonic phonon scattering in PbTe
journal, June 2011
- Delaire, O.; Ma, J.; Marty, K.
- Nature Materials, Vol. 10, Issue 8, p. 614-619
Complex thermoelectric materials
book, October 2010
- Snyder, G. Jeffrey; Toberer, Eric S.
- Materials for Sustainable Energy
Bulk nanostructured thermoelectric materials: current research and future prospects
journal, January 2009
- Minnich, A. J.; Dresselhaus, M. S.; Ren, Z. F.
- Energy & Environmental Science, Vol. 2, Issue 5
First-principles calculations of the ferroelastic transition between rutile-type and -type at high pressures
journal, October 2008
- Togo, Atsushi; Oba, Fumiyasu; Tanaka, Isao
- Physical Review B, Vol. 78, Issue 13
Structure and temperature transformation of SnSe. Stabilization of a new cubic phase Sn4Bi2Se7
journal, January 1998
- Adouby, K.; Pérez-Vicente, C.; Jumas, J. C.
- Zeitschrift für Kristallographie - Crystalline Materials, Vol. 213, Issue 6
Works referencing / citing this record:
The cold neutron chopper spectrometer at the Spallation Neutron Source—A review of the first 8 years of operation
journal, September 2016
- Ehlers, G.; Podlesnyak, A. A.; Kolesnikov, A. I.
- Review of Scientific Instruments, Vol. 87, Issue 9
Stability and magnetic properties of SnSe monolayer doped by transition metal atom (Mn, Fe, and Co): a first-principles study
journal, May 2018
- Tang, Chao; Li, Qinwen; Zhang, Chunxiao
- Journal of Physics D: Applied Physics, Vol. 51, Issue 24
Manipulation of Band Degeneracy and Lattice Strain for Extraordinary PbTe Thermoelectrics
journal, January 2020
- Wu, Yixuan; Nan, Pengfei; Chen, Zhiwei
- Research, Vol. 2020
Tuning ferroelectricity by charge doping in two-dimensional SnSe
journal, January 2020
- Zhu, Liying; Lu, Yan; Wang, Li
- Journal of Applied Physics, Vol. 127, Issue 1
Anharmonic lattice dynamics of Te and its counter-intuitive strain dependent lattice thermal conductivity
journal, January 2019
- Li, Shasha; Ma, Jie; Pei, Yanzhong
- Journal of Materials Chemistry C, Vol. 7, Issue 20
Overcoming nanoscale friction barriers in transition metal dichalcogenides
journal, August 2017
- Cammarata, Antonio; Polcar, Tomas
- Physical Review B, Vol. 96, Issue 8
Epitaxy of Ultrathin SnSe Single Crystals on Polydimethylsiloxane: In-Plane Electrical Anisotropy and Gate-Tunable Thermopower
journal, October 2016
- Pei, Tengfei; Bao, Lihong; Ma, Ruisong
- Advanced Electronic Materials, Vol. 2, Issue 11
Defects controlled hole doping and multivalley transport in SnSe single crystals
journal, January 2018
- Wang, Zhen; Fan, Congcong; Shen, Zhixuan
- Nature Communications, Vol. 9, Issue 1
Multi-Layer SnSe Nanoflake Field-Effect Transistors with Low-Resistance Au Ohmic Contacts
journal, May 2017
- Cho, Sang-Hyeok; Cho, Kwanghee; Park, No-Won
- Nanoscale Research Letters, Vol. 12, Issue 1
Cross-dimensional electron-phonon coupling in van der Waals heterostructures
journal, June 2019
- Lin, Miao-Ling; Zhou, Yu; Wu, Jiang-Bin
- Nature Communications, Vol. 10, Issue 1
Modulation of magnetism in transition-metal-doped two-dimensional GeS
journal, May 2018
- Zhang, Chunxiao; Yang, Baoyong; Tang, Chao
- Journal of Physics D: Applied Physics, Vol. 51, Issue 22
Promising Thermoelectric Bulk Materials with 2D Structures
journal, July 2017
- Zhou, Yiming; Zhao, Li-Dong
- Advanced Materials, Vol. 29, Issue 45
Realizing high-efficiency power generation in low-cost PbS-based thermoelectric materials
journal, January 2020
- Jiang, Binbin; Liu, Xixi; Wang, Qi
- Energy & Environmental Science, Vol. 13, Issue 2
Cross-dimensional electron-phonon coupling in van der Waals heterostructures
journal, June 2019
- Lin, Miao-Ling; Zhou, Yu; Wu, Jiang-Bin
- Nature Communications, Vol. 10, Issue 1
Atomically thin p-n junctions based on two-dimensional materials
text, January 2018
- Frisenda, Riccardo; Molina-Mendoza, Aday J.; Mueller, Thomas
- arXiv
Achieving zT > 2 in p-Type AgSbTe 2− x Se x Alloys via Exploring the Extra Light Valence Band and Introducing Dense Stacking Faults
journal, December 2017
- Hong, Min; Chen, Zhi-Gang; Yang, Lei
- Advanced Energy Materials, Vol. 8, Issue 9
Intrinsically low thermal conductivity of bismuth oxychalcogenides originating from interlayer coupling
journal, January 2019
- Song, Hong-Yue; Ge, Xu-Jin; Shang, Man-Yu
- Physical Chemistry Chemical Physics, Vol. 21, Issue 33
Few-Layer - with Strong Visible Light Absorbance and Ultrahigh Carrier Mobility
journal, January 2020
- Li, Zhenqing; Li, Jin; He, Chaoyu
- Physical Review Applied, Vol. 13, Issue 1
Defects controlled hole doping and multivalley transport in SnSe single crystals
journal, January 2018
- Wang, Zhen; Fan, Congcong; Shen, Zhixuan
- Nature Communications, Vol. 9, Issue 1
Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe
journal, November 2015
- Zhao, L.-D.; Tan, G.; Hao, S.
- Science, Vol. 351, Issue 6269, p. 141-144
Electronic and Optoelectronic Applications Based on 2D Novel Anisotropic Transition Metal Dichalcogenides
journal, October 2017
- Gong, Chuanhui; Zhang, Yuxi; Chen, Wei
- Advanced Science, Vol. 4, Issue 12
Photoemission Study of the Electronic Structure of Valence Band Convergent SnSe
text, January 2018
- Wang, C. W.; Xia, Y. Y. Y.; Tian, Z.
- arXiv
Liquid-like thermal conduction in intercalated layered crystalline solids
journal, January 2018
- Li, B.; Wang, H.; Kawakita, Y.
- Nature Materials, Vol. 17, Issue 3
Anomalous lattice thermal conductivity in layered MNCl (M = Zr, Hf) materials driven by lanthanide contraction
journal, January 2020
- Yu, Xiaoxia; Shao, Hezhu; Wang, Xueyun
- Journal of Materials Chemistry A, Vol. 8, Issue 6
Effects of temperature and pressure on the optical and vibrational properties of thermoelectric SnSe
journal, January 2019
- Efthimiopoulos, Ilias; Berg, Matthias; Bande, Annika
- Physical Chemistry Chemical Physics, Vol. 21, Issue 17
First-principles study of thermal transport properties in the two- and three-dimensional forms of Bi 2 O 2 Se
journal, January 2019
- Zhu, Xue-Liang; Liu, Peng-Fei; Xie, Guofeng
- Physical Chemistry Chemical Physics, Vol. 21, Issue 21
Manipulation of Phonon Transport in Thermoelectrics
journal, February 2018
- Chen, Zhiwei; Zhang, Xinyue; Pei, Yanzhong
- Advanced Materials, Vol. 30, Issue 17
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
Enhancing thermoelectric performance by Fermi level tuning and thermal conductivity degradation in (Ge1−xBix)Te crystals
journal, June 2019
- Wei, Pai-Chun; Cai, Cheng-Xun; Hsing, Cheng-Rong
- Scientific Reports, Vol. 9, Issue 1
Compromise and Synergy in High-Efficiency Thermoelectric Materials
journal, March 2017
- Zhu, Tiejun; Liu, Yintu; Fu, Chenguang
- Advanced Materials, Vol. 29, Issue 14
Anisotropic thermal expansion of SnSe from first-principles calculations based on Grüneisen's theory
journal, January 2017
- Liu, Gang; Zhou, Jian; Wang, Hui
- Physical Chemistry Chemical Physics, Vol. 19, Issue 23
Realizing High Thermoelectric Performance in n-Type Highly Distorted Sb-Doped SnSe Microplates via Tuning High Electron Concentration and Inducing Intensive Crystal Defects
journal, May 2018
- Shi, Xiao-Lei; Zheng, Kun; Liu, Wei-Di
- Advanced Energy Materials, Vol. 8, Issue 21
Mode Grüneisen parameters of an efficient thermoelectric half-Heusler
text, January 2018
- Pang, Hong-Jie; Chen, Liu-Cheng; Cao, Zi-Yu
- Deutsches Elektronen-Synchrotron, DESY, Hamburg
Phonon and electron transport in Janus monolayers based on InSe
text, January 2019
- Wan, Wenhui; Zhao, Shan; Ge, Yanfeng
- arXiv
Ultralow thermal conductivity from transverse acoustic phonon suppression in distorted crystalline α-MgAgSb
journal, February 2020
- Li, Xiyang; Liu, Peng-Fei; Zhao, Enyue
- Nature Communications, Vol. 11, Issue 1
Probing the Domain Architecture in 2D α-Mo 2 C via Polarized Raman Spectroscopy
journal, January 2019
- Li, Tianshu; Luo, Weijun; Kitadai, Hikari
- Advanced Materials, Vol. 31, Issue 8
Rationalizing phonon dispersion for lattice thermal conductivity of solids
journal, September 2018
- Chen, Zhiwei; Zhang, Xinyue; Lin, Siqi
- National Science Review, Vol. 5, Issue 6
Alloying for orbital alignment enables thermoelectric enhancement of EuCd 2 Sb 2
journal, January 2019
- Zheng, Liangtao; Li, Wen; Wang, Xiao
- Journal of Materials Chemistry A, Vol. 7, Issue 20
Realizing High‐Ranged Out‐of‐Plane ZTs in N‐Type SnSe Crystals through Promoting Continuous Phase Transition
journal, June 2019
- Chang, Cheng; Wang, Dongyang; He, Dongsheng
- Advanced Energy Materials, Vol. 9, Issue 28
Thermoelectric Properties of Pure SnSe Single Crystal Prepared by a Vapor Deposition Method
journal, April 2019
- Jin, Min; Jiang, Jun; Li, Rongbin
- Crystal Research and Technology, Vol. 54, Issue 6
Investigation of the electronic structure and lattice dynamics of the thermoelectric material Na-doped SnSe
journal, September 2018
- Wu, P.; Zhang, B.; Peng, K. L.
- Physical Review B, Vol. 98, Issue 9
Enhancing thermoelectric performance by Fermi level tuning and thermal conductivity degradation in (Ge1−xBix)Te crystals
journal, June 2019
- Wei, Pai-Chun; Cai, Cheng-Xun; Hsing, Cheng-Rong
- Scientific Reports, Vol. 9, Issue 1
Design of Highly Efficient Thermoelectric Materials: Tailoring Reciprocal-Space Properties by Real-Space Modification
journal, September 2018
- Zhu, Hao; Xiao, Chong; Xie, Yi
- Advanced Materials, Vol. 30, Issue 48
Analysis of Water Coupling in Inelastic Neutron Spectra of Uranyl Fluoride
journal, July 2019
- Miskowiec, Andrew; Niedziela, J. L.; Kirkegaard, Marie C.
- Scientific Reports, Vol. 9, Issue 1
Coherent phonons in a film generated by an intense single-cycle THz pulse
journal, June 2018
- Melnikov, A. A.; Boldyrev, K. N.; Selivanov, Yu. G.
- Physical Review B, Vol. 97, Issue 21
Magnetic Field‐Enhanced Thermoelectric Performance in Dirac Semimetal Cd 3 As 2 Crystals with Different Carrier Concentrations
journal, July 2019
- Wang, Honghui; Luo, Xigang; Peng, Kunling
- Advanced Functional Materials, Vol. 29, Issue 37
Super-resolution energy spectra from neutron direct-geometry spectrometers
journal, October 2019
- Islam, Fahima; Lin, Jiao Y. Y.; Archibald, Richard
- Review of Scientific Instruments, Vol. 90, Issue 10
Lattice dynamics of the tin sulphides SnS 2 , SnS and Sn 2 S 3 : vibrational spectra and thermal transport
journal, January 2017
- Skelton, Jonathan M.; Burton, Lee A.; Jackson, Adam J.
- Physical Chemistry Chemical Physics, Vol. 19, Issue 19
Promising and Eco‐Friendly Cu 2 X‐Based Thermoelectric Materials: Progress and Applications
journal, January 2020
- Liu, Wei‐Di; Yang, Lei; Chen, Zhi‐Gang
- Advanced Materials, Vol. 32, Issue 8
Resolving different scattering effects on the thermal and electrical transport in doped SnSe
journal, July 2019
- Li, Shouhang; Tong, Zhen; Bao, Hua
- Journal of Applied Physics, Vol. 126, Issue 2
Highly Textured N-Type SnSe Polycrystals with Enhanced Thermoelectric Performance
journal, November 2019
- Shang, Peng-Peng; Dong, Jinfeng; Pei, Jun
- Research, Vol. 2019
Enhanced thermoelectric performance of a simple method prepared polycrystalline SnSe optimized by spark plasma sintering
journal, June 2019
- Zhang, Q. K.; Ning, S. T.; Qi, N.
- Journal of Applied Physics, Vol. 125, Issue 22
Seeing atomic-scale structural origins and foreseeing new pathways to improved thermoelectric materials
journal, January 2019
- Wu, Haijun; Zhang, Yang; Ning, Shoucong
- Materials Horizons, Vol. 6, Issue 8
The anharmonicity blacksmith
journal, October 2015
- Heremans, Joseph P.
- Nature Physics, Vol. 11, Issue 12
Manipulation of Band Degeneracy and Lattice Strain for Extraordinary PbTe Thermoelectrics
journal, January 2020
- Wu, Yixuan; Nan, Pengfei; Chen, Zhiwei
- Research, Vol. 2020
Tunable indirect-direct transition of few-layer SnSe via interface engineering
journal, September 2017
- Sirikumara, Hansika I.; Jayasekera, Thushari
- Journal of Physics: Condensed Matter, Vol. 29, Issue 42
Ultralow lattice thermal conductivity and high thermoelectric performance of monolayer KCuTe: a first principles study
journal, January 2019
- Gu, Jinjie; Huang, Lirong; Liu, Shengzong
- RSC Advances, Vol. 9, Issue 62
A practical field guide to thermoelectrics: Fundamentals, synthesis, and characterization
journal, June 2018
- Zevalkink, Alex; Smiadak, David M.; Blackburn, Jeff L.
- Applied Physics Reviews, Vol. 5, Issue 2
Thermoelectric properties of SnSe nanowires with different diameters
journal, August 2018
- Hernandez, Jose A.; Ruiz, Angel; Fonseca, Luis F.
- Scientific Reports, Vol. 8, Issue 1
Electronic and optical properties of strained graphene and other strained 2D materials: a review
journal, August 2017
- Naumis, Gerardo G.; Barraza-Lopez, Salvador; Oliva-Leyva, Maurice
- Reports on Progress in Physics, Vol. 80, Issue 9
The electronic structure of Ag 1−x Sn 1+x Se 2 (x = 0.0, 0.1, 0.2, 0.25 and 1.0)
journal, January 2017
- Wakita, Takanori; Paris, Eugenio; Kobayashi, Kaya
- Phys. Chem. Chem. Phys., Vol. 19, Issue 39
Nanoscale Thermal Behavior of 2D SnSe Nanosheets
journal, December 2019
- Li, Chunbo; Liu, Zhibin; Zeng, Huarong
- physica status solidi (RRL) – Rapid Research Letters, Vol. 14, Issue 3
Hierarchical Chemical Bonds Contributing to the Intrinsically Low Thermal Conductivity in α-MgAgSb Thermoelectric Materials
journal, October 2016
- Ying, Pingjun; Li, Xin; Wang, Yancheng
- Advanced Functional Materials, Vol. 27, Issue 1
Multiphonon: Phonon Density of States tools for Inelastic Neutron Scattering Powder Data
journal, January 2018
- Y. Y. Lin, Jiao; Islam, Fahima; Kresh, Max
- The Journal of Open Source Software, Vol. 3, Issue 21
Highly Textured N-Type SnSe Polycrystals with Enhanced Thermoelectric Performance
journal, November 2019
- Shang, Peng-Peng; Dong, Jinfeng; Pei, Jun
- Research, Vol. 2019
High‐Performance Thermoelectric SnSe: Aqueous Synthesis, Innovations, and Challenges
journal, February 2020
- Shi, Xiao‐Lei; Tao, Xinyong; Zou, Jin
- Advanced Science, Vol. 7, Issue 7
New two-dimensional phase of tin chalcogenides: Candidates for high-performance thermoelectric materials
journal, January 2019
- Dong, Baojuan; Wang, Zhenhai; Hung, Nguyen T.
- Physical Review Materials, Vol. 3, Issue 1
Anharmonicity in the High-Temperature Phase of SnSe: Soft Modes and Three-Phonon Interactions
journal, August 2016
- Skelton, Jonathan M.; Burton, Lee A.; Parker, Stephen C.
- Physical Review Letters, Vol. 117, Issue 7
High-Temperature Crystal Structure and Chemical Bonding in Thermoelectric Germanium Selenide (GeSe)
journal, April 2017
- Sist, Mattia; Gatti, Carlo; Nørby, Peter
- Chemistry - A European Journal, Vol. 23, Issue 28
Critical mode and band-gap-controlled bipolar thermoelectric properties of SnSe
journal, August 2018
- Loa, I.; Popuri, S. R.; Fortes, A. D.
- Physical Review Materials, Vol. 2, Issue 8
Advances in thermoelectrics
journal, April 2018
- Mao, Jun; Liu, Zihang; Zhou, Jiawei
- Advances in Physics, Vol. 67, Issue 2
Bond-photon-phonon thermal relaxation in the M(X, X 2 ) (M = Mo, Re, Ta, Ge, Sn; X = S, Se, and Te)
journal, January 2020
- Liu, Yonghui; Xiao, Hongwei; Luo, Li
- RSC Advances, Vol. 10, Issue 9
Coherent optical phonon oscillation and possible electronic softening in WTe2 crystals
journal, July 2016
- He, Bin; Zhang, Chunfeng; Zhu, Weida
- Scientific Reports, Vol. 6, Issue 1
Heavy Doping by Bromine to Improve the Thermoelectric Properties of n-type Polycrystalline SnSe
journal, July 2018
- Li, Shan; Wang, Yumei; Chen, Chen
- Advanced Science, Vol. 5, Issue 9
Thermoelectric properties of (Ba,K)Cd2As2 crystallized in the CaAl2Si2-type structure
text, January 2018
- Kunioka, H.; Kihou, K.; Nishiate, H.
- arXiv
Dopant-induced indirect-direct transition and semiconductor-semimetal transition of bilayer SnSe
journal, December 2019
- Sirikumara, Hansika I.; Morshed, Mahir; Jameson, Casey
- Journal of Applied Physics, Vol. 126, Issue 22
Unusually large chemical potential shift in a degenerate semiconductor: Angle-resolved photoemission study of SnSe and Na-doped SnSe
journal, March 2018
- Maeda, M.; Yamamoto, K.; Mizokawa, T.
- Physical Review B, Vol. 97, Issue 12
Three-Stage Inter-Orthorhombic Evolution and High Thermoelectric Performance in Ag-Doped Nanolaminar SnSe Polycrystals
journal, June 2017
- Zhang, Lijuan; Wang, Jianli; Sun, Qiao
- Advanced Energy Materials, Vol. 7, Issue 19
High thermoelectric performance in low-cost SnS 0.91 Se 0.09 crystals
journal, September 2019
- He, Wenke; Wang, Dongyang; Wu, Haijun
- Science, Vol. 365, Issue 6460
Resonant bonding driven giant phonon anharmonicity and low thermal conductivity of phosphorene
journal, October 2016
- Qin, Guangzhao; Zhang, Xiaoliang; Yue, Sheng-Ying
- Physical Review B, Vol. 94, Issue 16
Orpiment under compression: metavalent bonding at high pressure
journal, January 2020
- Cuenca-Gotor, Vanesa Paula; Sans, Juan Ángel; Gomis, Oscar
- Physical Chemistry Chemical Physics, Vol. 22, Issue 6
Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe
text, January 2018
- Aseginolaza, Unai; Bianco, Raffaello; Monacelli, Lorenzo
- arXiv
Analysis of Water Coupling in Inelastic Neutron Spectra of Uranyl Fluoride
journal, July 2019
- Miskowiec, Andrew; Niedziela, J. L.; Kirkegaard, Marie C.
- Scientific Reports, Vol. 9, Issue 1
Nuclear quantum effect with pure anharmonicity and the anomalous thermal expansion of silicon
journal, February 2018
- Kim, D. S.; Hellman, O.; Herriman, J.
- Proceedings of the National Academy of Sciences, Vol. 115, Issue 9
Enhanced thermoelectric properties of p-type polycrystalline SnSe by regulating the anisotropic crystal growth and Sn vacancy
journal, April 2018
- Liu, Chengyan; Miao, Lei; Wang, Xiaoyang
- Chinese Physics B, Vol. 27, Issue 4
Lattice thermal conductivity of and SnSe using Debye-Callaway and Monte Carlo phonon transport modeling: Application to nanofilms and nanowires
journal, September 2019
- Al-Alam, Patricia; Pernot, Gilles; Isaiev, Mykola
- Physical Review B, Vol. 100, Issue 11
Water splits to degrade two-dimensional group-IV monochalcogenides in nanoseconds
text, January 2018
- Barraza-Lopez, Salvador; Kaloni, Thaneshwor P.
- arXiv
Crystal structure and improved thermoelectric performance of iron stabilized cubic Cu 3 SbS 3 compound
journal, January 2019
- Du, Baoli; Zhang, Ruizhi; Liu, Ming
- Journal of Materials Chemistry C, Vol. 7, Issue 2
Accelerating evaluation of converged lattice thermal conductivity
text, January 2018
- Qin, Guangzhao; Hu, Ming
- RWTH Aachen University
Anomalously temperature-dependent thermal conductivity of monolayer GaN with large deviations from the traditional law
journal, May 2017
- Qin, Guangzhao; Qin, Zhenzhen; Wang, Huimin
- Physical Review B, Vol. 95, Issue 19
Structural evolution of a Ge-substituted SnSe thermoelectric material with low thermal conductivity
journal, February 2018
- Serrano-Sánchez, Federico; Nemes, Norbert M.; Martínez, José Luis
- Journal of Applied Crystallography, Vol. 51, Issue 2
Solute manipulation enabled band and defect engineering for thermoelectric enhancements of SnTe
journal, October 2019
- Yao, Zhichao; Li, Wen; Tang, Jing
- InfoMat, Vol. 1, Issue 4
Band Structure of the IV-VI Black Phosphorus Analog and Thermoelectric SnSe
text, January 2018
- Pletikosić, Ivo; Von Rohr, Fabian; Pervan, Petar
- American Physical Society
Direct atomic-scale observation of the Ag + diffusion structure in the quasi-2D “liquid-like” state of superionic thermoelectric AgCrSe 2
journal, January 2019
- Xie, Lin; Wu, Di; Yang, Hongliang
- Journal of Materials Chemistry C, Vol. 7, Issue 30
Achieving zT > 1 in Inexpensive Zintl Phase Ca 9 Zn 4+ x Sb 9 by Phase Boundary Mapping
journal, March 2017
- Ohno, Saneyuki; Aydemir, Umut; Amsler, Maximilian
- Advanced Functional Materials, Vol. 27, Issue 20
Thermal Transport in 2D Semiconductors—Considerations for Device Applications
journal, August 2019
- Zhao, Yunshan; Cai, Yongqing; Zhang, Lifa
- Advanced Functional Materials, Vol. 30, Issue 8
Selective breakdown of phonon quasiparticles across superionic transition in CuCrSe2
journal, October 2018
- Niedziela, Jennifer L.; Bansal, Dipanshu; May, Andrew F.
- Nature Physics, Vol. 15, Issue 1
High Thermoelectric Performance in Polycrystalline SnSe Via Dual-Doping with Ag/Na and Nanostructuring With Ag 8 SnSe 6
journal, November 2018
- Luo, Yubo; Cai, Songting; Hua, Xia
- Advanced Energy Materials, Vol. 9, Issue 2
Ultralow Thermal Conductivity in Full Heusler Semiconductors
text, January 2016
- He, Jiangang; Amsler, Maximilian; Xia, Yi
- American Physical Society
Chemical bonding origin of the unexpected isotropic physical properties in thermoelectric Mg3Sb2 and related materials
journal, November 2018
- Zhang, Jiawei; Song, Lirong; Sist, Mattia
- Nature Communications, Vol. 9, Issue 1
Understanding of the Extremely Low Thermal Conductivity in High-Performance Polycrystalline SnSe through Potassium Doping
journal, August 2016
- Chen, Yue-Xing; Ge, Zhen-Hua; Yin, Meijie
- Advanced Functional Materials, Vol. 26, Issue 37
Thermoelectric Performance of IV-VI Compounds with Octahedral-Like Coordination: A Chemical-Bonding Perspective
journal, July 2018
- Cagnoni, Matteo; Führen, Daniel; Wuttig, Matthias
- Advanced Materials, Vol. 30, Issue 33
Large thermoelectric power factors and impact of texturing on the thermal conductivity in polycrystalline SnSe
journal, January 2016
- Popuri, S. R.; Pollet, M.; Decourt, R.
- Journal of Materials Chemistry C, Vol. 4, Issue 8
Mode Grüneisen parameters of an efficient thermoelectric half-Heusler
journal, November 2018
- Pang, Hong-Jie; Chen, Liu-Cheng; Cao, Zi-Yu
- Journal of Applied Physics, Vol. 124, Issue 19
Enhanced thermoelectric properties of SnSe polycrystals via texture control
journal, January 2016
- Feng, Dan; Ge, Zhen-Hua; Wu, Di
- Physical Chemistry Chemical Physics, Vol. 18, Issue 46
Tin Selenide (SnSe): Growth, Properties, and Applications
journal, January 2018
- Shi, Weiran; Gao, Minxuan; Wei, Jinping
- Advanced Science, Vol. 5, Issue 4
Thermoelectric properties of SnSe nanowires with different diameters
journal, August 2018
- Hernandez, Jose A.; Ruiz, Angel; Fonseca, Luis F.
- Scientific Reports, Vol. 8, Issue 1
Thermoelectric Figure-of-Merit of Fully Dense Single-Crystalline SnSe
journal, March 2019
- Wei, Pai-Chun; Bhattacharya, Sriparna; Liu, Yu-Fei
- ACS Omega, Vol. 4, Issue 3
3D charge and 2D phonon transports leading to high out-of-plane ZT in n-type SnSe crystals
journal, May 2018
- Chang, Cheng; Wu, Minghui; He, Dongsheng
- Science, Vol. 360, Issue 6390
Modulation of thermal conductivity and thermoelectric figure of merit by anharmonic lattice vibration in Sb 2 Te 3 thermoelectrics
journal, December 2018
- Das, Diptasikha; Malik, K.; Das, Subarna
- AIP Advances, Vol. 8, Issue 12
Electronic and Thermoelectric Properties of SnSe1−xS x (x = 0, 0.25, 0.5, 0.75, and 1) Alloys: First-Principles Calculations
journal, April 2018
- Hamad, Bothina
- Journal of Electronic Materials, Vol. 47, Issue 7