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Title: Thermal conductivity switch: Optimal semiconductor/metal melting transition

Authors:
;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1329098
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 94 Journal Issue: 15; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Kim, Kwangnam, and Kaviany, Massoud. Thermal conductivity switch: Optimal semiconductor/metal melting transition. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.94.155203.
Kim, Kwangnam, & Kaviany, Massoud. Thermal conductivity switch: Optimal semiconductor/metal melting transition. United States. https://doi.org/10.1103/PhysRevB.94.155203
Kim, Kwangnam, and Kaviany, Massoud. Mon . "Thermal conductivity switch: Optimal semiconductor/metal melting transition". United States. https://doi.org/10.1103/PhysRevB.94.155203.
@article{osti_1329098,
title = {Thermal conductivity switch: Optimal semiconductor/metal melting transition},
author = {Kim, Kwangnam and Kaviany, Massoud},
abstractNote = {},
doi = {10.1103/PhysRevB.94.155203},
journal = {Physical Review B},
number = 15,
volume = 94,
place = {United States},
year = {Mon Oct 17 00:00:00 EDT 2016},
month = {Mon Oct 17 00:00:00 EDT 2016}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1103/PhysRevB.94.155203

Citation Metrics:
Cited by: 43 works
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Works referenced in this record:

Electron-poor antimonides: complex framework structures with narrow band gaps and low thermal conductivity
journal, January 2010

  • Häussermann, Ulrich; Mikhaylushkin, Arkady S.
  • Dalton Trans., Vol. 39, Issue 4
  • DOI: 10.1039/B915724G

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

Acoustical-Optical Phonon Scattering in Ge, Si, and III-V Compounds
journal, January 1966


Composition and the thermoelectric performance of β-Zn4Sb3
journal, January 2010

  • Toberer, Eric S.; Rauwel, Protima; Gariel, Sylvain
  • Journal of Materials Chemistry, Vol. 20, Issue 44
  • DOI: 10.1039/c0jm02011g

Projector augmented-wave method
journal, December 1994


Field Effect on the Cochran Modes in SrTi O 3 and KTa O 3
journal, April 1968


Solid-Liquid Hybrid Thermal Interfaces for Low-Contact Pressure Thermal Switching
journal, April 2014

  • Jia, Y.; Ju, Y. S.
  • Journal of Heat Transfer, Vol. 136, Issue 7
  • DOI: 10.1115/1.4027205

Elastic constants of Nb O 2 between 1.6 and 298 K
journal, August 1982


The thermal conductivity of metallic ceramics
journal, June 1998


Thermoelectric properties of semi-conducting compound Zn4Sb3
journal, July 2008


A simple effective potential for exchange
journal, June 2006

  • Becke, Axel D.; Johnson, Erin R.
  • The Journal of Chemical Physics, Vol. 124, Issue 22
  • DOI: 10.1063/1.2213970

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Semiconductor–metal transition in liquid semiconductors
journal, September 1980


Ab initio calculation of transport and optical properties of aluminum: Influence of simulation parameters
journal, November 2013


Electron–phonon interaction and superconductivity in SnAs with the sodium chloride crystal structure
journal, November 2015


Theory of the Thermal Conductivity of Superconductors
journal, February 1959


Conduction in non-crystalline systems: II. The metal-insulator transition in a random array of centres
journal, June 1968


Dielectric Anomaly and the Metal-Insulator Transition in n -Type Silicon
journal, June 1975


ABINIT: First-principles approach to material and nanosystem properties
journal, December 2009


Strain-controlled thermal conductivity in ferroic twinned films
journal, September 2014

  • Li, Suzhi; Ding, Xiangdong; Ren, Jie
  • Scientific Reports, Vol. 4, Issue 1
  • DOI: 10.1038/srep06375

Crystal structure, electronic structure, and thermoelectric properties of β -Zn 4 Sb 3 from first principles
journal, January 2010


Reversible temperature regulation of electrical and thermal conductivity using liquid–solid phase transitions
journal, April 2011

  • Zheng, Ruiting; Gao, Jinwei; Wang, Jianjian
  • Nature Communications, Vol. 2, Issue 1
  • DOI: 10.1038/ncomms1288

Electrical resistivity of ZnSb and CdSb liquid alloys in the compound-forming concentration range
journal, September 1982


The incommensurably modulated structure of ζ-Zn3−xSb2
journal, August 2004


A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
journal, April 2010

  • Grimme, Stefan; Antony, Jens; Ehrlich, Stephan
  • The Journal of Chemical Physics, Vol. 132, Issue 15
  • DOI: 10.1063/1.3382344

Covalent radii revisited
journal, January 2008

  • Cordero, Beatriz; Gómez, Verónica; Platero-Prats, Ana E.
  • Dalton Transactions, Issue 21
  • DOI: 10.1039/b801115j

The maximum possible conversion efficiency of silicon‐germanium thermoelectric generators
journal, September 1991

  • Slack, Glen A.; Hussain, Moayyed A.
  • Journal of Applied Physics, Vol. 70, Issue 5
  • DOI: 10.1063/1.349385

Enhanced thermoelectric figure of merit in p-type Ag-doped ZnSb nanostructured with Ag3Sb
journal, September 2013


Effect of the damping function in dispersion corrected density functional theory
journal, March 2011

  • Grimme, Stefan; Ehrlich, Stephan; Goerigk, Lars
  • Journal of Computational Chemistry, Vol. 32, Issue 7
  • DOI: 10.1002/jcc.21759

Ab initio determination of electrical and thermal conductivity of liquid aluminum
journal, September 2005


Electrical Properties of Liquid Ge–Se Alloys
journal, January 1996

  • Okada, Tatsuya; Satoh, Takahide; Matsumura, Masayuki
  • Journal of the Physical Society of Japan, Vol. 65, Issue 1
  • DOI: 10.1143/JPSJ.65.230

A Promising Thermoelectric Material:  Zn 4 Sb 3 or Zn 6 - δ Sb 5 . Its Composition, Structure, Stability, and Polymorphs. Structure and Stability of Zn 1 - δ Sb
journal, April 2004

  • Mozharivskyj, Yurij; Pecharsky, Alexandra O.; Bud'ko, Sergey
  • Chemistry of Materials, Vol. 16, Issue 8
  • DOI: 10.1021/cm035274a

Ab initio simulation of the metal/nonmetal transition in expanded fluid mercury
journal, March 1997


Thermoelectric properties of n -type Bi 2 (Te 0.85 Se 0.15 ) 3 single crystals doped with CuBr and SbI 3
journal, March 2012


Modeling the thermal conductivities of the zinc antimonides ZnSb and Zn 4 Sb 3
journal, January 2014


CXXXV. Ambipolar thermodiffusion of electrons and holes in semiconductors
journal, November 1955

  • Price, P. J.
  • The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 46, Issue 382
  • DOI: 10.1080/14786441108520635

Thermal Conductivity of the Elements
journal, April 1972

  • Ho, C. Y.; Powell, R. W.; Liley, P. E.
  • Journal of Physical and Chemical Reference Data, Vol. 1, Issue 2
  • DOI: 10.1063/1.3253100

Enhanced and switchable nanoscale thermal conduction due to van der Waals interfaces
journal, December 2011

  • Yang, Juekuan; Yang, Yang; Waltermire, Scott W.
  • Nature Nanotechnology, Vol. 7, Issue 2
  • DOI: 10.1038/nnano.2011.216

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


Thermal conductivity of GaSb and InSb in solid and liquid states
journal, November 1990

  • Nakamura, Shin; Hibiya, Taketoshi; Yamamoto, Fumio
  • Journal of Applied Physics, Vol. 68, Issue 10
  • DOI: 10.1063/1.347051

Preparation and thermoelectric properties of semiconducting Zn4Sb3
journal, July 1997

  • Caillat, T.; Fleurial, J. -P.; Borshchevsky, A.
  • Journal of Physics and Chemistry of Solids, Vol. 58, Issue 7
  • DOI: 10.1016/S0022-3697(96)00228-4

Low-temperature Region of the In–Se System
journal, January 1997

  • Tedenac, Prof. J. -C.; Vassilev, Dr. G. P.; Daouchi, B.
  • Crystal Research and Technology, Vol. 32, Issue 4
  • DOI: 10.1002/crat.2170320417

High thermopower and ultra low thermal conductivity in Cd-based Zintl phase compounds
journal, January 2015

  • Pandey, Tribhuwan; Singh, Abhishek K.
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 26
  • DOI: 10.1039/C5CP02344K

Thermal Conductivity of Silicon and Germanium from 3°K to the Melting Point
journal, May 1964


Temperature dependence of thermal conductivity of VO 2 thin films across metal–insulator transition
journal, April 2015

  • Kizuka, Hinako; Yagi, Takashi; Jia, Junjun
  • Japanese Journal of Applied Physics, Vol. 54, Issue 5
  • DOI: 10.7567/JJAP.54.053201

The Thermal Conductivity of Bismuth Telluride
journal, February 1956


Pulling together to control heat flow
journal, February 2012


Material parameters of In 1− x Ga x As y P 1− y and related binaries
journal, December 1982

  • Adachi, Sadao
  • Journal of Applied Physics, Vol. 53, Issue 12
  • DOI: 10.1063/1.330480

Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure
journal, April 2008


Thermodynamic studies of the In–Se system
journal, May 1998

  • Vassilev, George P.; Daouchi, Brahim; Record, Marie-Christine
  • Journal of Alloys and Compounds, Vol. 269, Issue 1-2
  • DOI: 10.1016/S0925-8388(98)00007-3

Strong enhancement of phonon scattering through nanoscale grains in lead sulfide thermoelectrics
journal, June 2014

  • Wu, Haijun; Carrete, Jesús; Zhang, Zhiyun
  • NPG Asia Materials, Vol. 6, Issue 6
  • DOI: 10.1038/am.2014.39

Bonding Characteristics of TiC and TiN
journal, January 2013


Metallic–covalent bonding conversion and thermoelectric properties of Al-based icosahedral quasicrystals and approximants
journal, August 2014


Disordered zinc in Zn4Sb3 with phonon-glass and electron-crystal thermoelectric properties
journal, June 2004

  • Snyder, G. Jeffrey; Christensen, Mogens; Nishibori, Eiji
  • Nature Materials, Vol. 3, Issue 7
  • DOI: 10.1038/nmat1154

Thermal conductivity and thermal diffusivity of the cyanobiphenyl(nCB)homologous series
journal, November 1998


Cadmium antimonide, CdSb
journal, December 1988

  • Range, K. J.; Pfauntsch, J.; Klement, U.
  • Acta Crystallographica Section C Crystal Structure Communications, Vol. 44, Issue 12
  • DOI: 10.1107/S0108270188009801

Structural Order-Disorder Transitions and Phonon Conductivity of Partially Filled Skutterudites
journal, December 2010


All-scale hierarchical thermoelectrics: MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance
journal, January 2013

  • Zhao, L. D.; Wu, H. J.; Hao, S. Q.
  • Energy & Environmental Science, Vol. 6, Issue 11
  • DOI: 10.1039/c3ee42187b

Conductivity-limiting bipolar thermal conductivity in semiconductors
journal, May 2015

  • Wang, Shanyu; Yang, Jiong; Toll, Trevor
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep10136

Temperature-Gated Thermal Rectifier for Active Heat Flow Control
journal, July 2014

  • Zhu, Jia; Hippalgaonkar, Kedar; Shen, Sheng
  • Nano Letters, Vol. 14, Issue 8
  • DOI: 10.1021/nl502261m

Electrical conductivity and thermoelectric power of niobium dioxide
journal, June 1966


High-Temperature Thermal Conductivity of Insulating Crystals: Relationship to the Melting Point
journal, August 1959


Dumbbell Rattling in Thermoelectric Zinc Antimony
journal, September 2007


Density, structure, and dynamics of water: The effect of van der Waals interactions
journal, January 2011

  • Wang, Jue; Román-Pérez, G.; Soler, Jose M.
  • The Journal of Chemical Physics, Vol. 134, Issue 2
  • DOI: 10.1063/1.3521268

Thermal Resistance due to Point Defects at High Temperatures
journal, July 1960


High thermoelectric performance of oxyselenides: intrinsically low thermal conductivity of Ca-doped BiCuSeO
journal, May 2013

  • Pei, Yan-Ling; He, Jiaqing; Li, Jing-Feng
  • NPG Asia Materials, Vol. 5, Issue 5
  • DOI: 10.1038/am.2013.15

Temperature-Dependent Transformation Thermotics: From Switchable Thermal Cloaks to Macroscopic Thermal Diodes
journal, November 2015


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


Characterization and analysis of thermoelectric transport in n -type Ba 8 Ga 16 x Ge 30 + x
journal, September 2009


Extrapolation of Transport Properties and Figure of Merit of a Thermoelectric Material
journal, June 2015


The Boltzmann Equation in the Theory of Electrical Conduction in Metals
journal, April 1958


Classification of chemical bonds based on topological analysis of electron localization functions
journal, October 1994


Electronic and optical properties of NbO2
journal, December 2014

  • O'Hara, Andrew; Nunley, Timothy N.; Posadas, Agham B.
  • Journal of Applied Physics, Vol. 116, Issue 21
  • DOI: 10.1063/1.4903067

Exploring the doping effects of Ag in p-type PbSe compounds with enhanced thermoelectric performance
journal, November 2011


Electrical, thermal, and species transport properties of liquid eutectic Ga-In and Ga-In-Sn from first principles
journal, February 2014

  • Yu, Seungho; Kaviany, Massoud
  • The Journal of Chemical Physics, Vol. 140, Issue 6
  • DOI: 10.1063/1.4865105

Lattice thermal conductivity of UO 2 using ab-initio and classical molecular dynamics
journal, March 2014

  • Kim, Hyoungchul; Kim, Moo Hwan; Kaviany, Massoud
  • Journal of Applied Physics, Vol. 115, Issue 12
  • DOI: 10.1063/1.4869669

Electron and Phonon Transport in n- and p-type Skutterudites
journal, January 2013


Phonon-induced diamagnetic force and its effect on the lattice thermal conductivity
journal, March 2015

  • Jin, Hyungyu; Restrepo, Oscar D.; Antolin, Nikolas
  • Nature Materials, Vol. 14, Issue 6
  • DOI: 10.1038/nmat4247

Effect of Point Imperfections on Lattice Thermal Conductivity
journal, November 1960


Anisotropic Multicenter Bonding and High Thermoelectric Performance in Electron-Poor CdSb
journal, January 2015

  • Wang, Shanyu; Yang, Jiong; Wu, Lihua
  • Chemistry of Materials, Vol. 27, Issue 3
  • DOI: 10.1021/cm504398d

Calculations of the transport properties within the PAW formalism
journal, January 2010


Estimation of the thermal band gap of a semiconductor from seebeck measurements
journal, July 1999


Structure Study of Bulk Nanograined Thermoelectric Bismuth Antimony Telluride
journal, April 2009

  • Lan, Yucheng; Poudel, Bed; Ma, Yi
  • Nano Letters, Vol. 9, Issue 4
  • DOI: 10.1021/nl803235n

Comparative Study of the Thermoelectric Properties of Amorphous Zn 41 Sb 59 and Crystalline Zn 4 Sb 3
journal, January 2009

  • Wu, Yang; Nylén, Johanna; Naseyowma, Craig
  • Chemistry of Materials, Vol. 21, Issue 1
  • DOI: 10.1021/cm802893v

First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?
journal, July 2013


Ab initio simulations of molten Ni alloys
journal, June 2010

  • Woodward, Christopher; Asta, Mark; Trinkle, Dallas R.
  • Journal of Applied Physics, Vol. 107, Issue 11
  • DOI: 10.1063/1.3437644

Enhancing the thermoelectric figure of merit through the reduction of bipolar thermal conductivity with heterostructure barriers
journal, August 2014

  • Bahk, Je-Hyeong; Shakouri, Ali
  • Applied Physics Letters, Vol. 105, Issue 5
  • DOI: 10.1063/1.4892653

Anomalous Thermal Conductivity of Cd 3 As 2 and the Cd 3 As 2 −Zn 3 As 2 Alloys
journal, September 1966

  • Spitzer, Donald P.; Castellion, George A.; Haacke, Gottfried
  • Journal of Applied Physics, Vol. 37, Issue 10
  • DOI: 10.1063/1.1707927

InAs and InSb as Thermoelectric Materials
journal, June 1959

  • Bowers, R.; Ure, R. W.; Bauerle, J. E.
  • Journal of Applied Physics, Vol. 30, Issue 6
  • DOI: 10.1063/1.1735264

Correlation of Properties of Materials to Debye and Melting Temperatures
journal, December 1974


Thermal conductivity and dynamic heat capacity across the metal-insulator transition in thin film VO2
journal, April 2010

  • Oh, Dong-Wook; Ko, Changhyun; Ramanathan, Shriram
  • Applied Physics Letters, Vol. 96, Issue 15
  • DOI: 10.1063/1.3394016

Thermal conductivity of binary, ternary, and quaternary III‐V compounds
journal, July 1988

  • Nakwaski, Wl/odzimierz
  • Journal of Applied Physics, Vol. 64, Issue 1
  • DOI: 10.1063/1.341449

Metal-Insulator Transition
journal, October 1968


Unexpected High-Temperature Stability of β-Zn 4 Sb 3 Opens the Door to Enhanced Thermoelectric Performance
journal, January 2014

  • Lin, Jianping; Li, Xudong; Qiao, Guanjun
  • Journal of the American Chemical Society, Vol. 136, Issue 4
  • DOI: 10.1021/ja410605f

Sn4As3 revisited: Solvothermal synthesis and crystal and electronic structure
journal, March 2009

  • Kovnir, Kirill; Kolen’ko, Yury V.; Baranov, Alexey I.
  • Journal of Solid State Chemistry, Vol. 182, Issue 3
  • DOI: 10.1016/j.jssc.2008.12.007

Solid-State Thermal Rectifier
journal, November 2006