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Phonon anharmonicity and negative thermal expansion in SnSe

Journal Article · · Physical Review B
Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
DOE Contract Number:
SC0001299; SC0001299
OSTI ID:
1388447
Journal Information:
Physical Review B, Journal Name: Physical Review B Journal Issue: 5 Vol. 94; ISSN 2469-9950; ISSN PRBMDO
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English

References (58)

The high temperature structure of β-SnS and β-SnSe and the B16-to-B33 type λ-transition path journal January 1981
Assessment of the thermoelectric performance of polycrystalline p-type SnSe journal May 2014
Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder journal March 2011
Phase diagram investigation and proposition of a thermodynamic evaluation of the Tin-Selenium system journal January 1996
Six-reflection meV-monochromator for synchrotron radiation journal May 2011
Modeling non-harmonic behavior of materials from experimental inelastic neutron scattering and thermal expansion measurements journal July 2016
Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals journal April 2014
CONUSS and PHOENIX: Evaluation of nuclear resonant scattering data journal March 2000
Record Seebeck coefficient and extremely low thermal conductivity in nanostructured SnSe journal February 2015
Structure and temperature transformation of SnSe. Stabilization of a new cubic phase Sn4Bi2Se7 journal January 1998
Low thermal conductivity and triaxial phononic anisotropy of SnSe journal September 2014
Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe journal November 2015
Adiabatic Electron-Phonon Interaction and High-Temperature Thermodynamics of A 15 Compounds journal September 2008
Investigation of the Anisotropic Thermoelectric Properties of Oriented Polycrystalline SnSe journal June 2015
Modeling non-harmonic behavior of materials from experimental inelastic neutron scattering and thermal expansion measurements text January 2016
Generalized Grüneisen Parameters in the Anisotropic Debye Model journal March 1965
Complex thermoelectric materials book October 2010
First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS text January 2015
Electron-phonon interactions and high-temperature thermodynamics of vanadium and its alloys journal June 2008
Low thermal conductivity and triaxial phononic anisotropy of SnSe text January 2014
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Thermodynamics of Crystals journal November 1972
First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS journal September 2015
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
The mechanical and thermo-physical properties and electronic structures of SnS and SnSe in orthorhombic structure journal April 2013
Microscopic mechanism of low thermal conductivity in lead telluride journal April 2012
A comparison of four direct geometry time-of-flight spectrometers at the Spallation Neutron Source journal April 2014
Lone pair electrons minimize lattice thermal conductivity journal January 2013
Structural changes in thermoelectric SnSe at high pressures journal January 2015
High-efficient thermoelectric materials: The case of orthorhombic IV-VI compounds journal June 2015
Generalized Grüneisen tensor from solid nonlinearity parameters journal May 1980
Peierls distortion as a route to high thermoelectric performance in In4Se3-δ crystals journal June 2009
Bottom-up processing and low temperature transport properties of polycrystalline SnSe journal May 2015
Thermoelectric performance of SnS and SnS–SnSe solid solution journal January 2015
High-resolution X-ray luminescence extension imaging journal February 2021
Structural Changes in Thermoelectric SnSe at High Pressures text January 2014
The Se−Sn (Selenium-Tin) system journal February 1986
Orbitally driven giant phonon anharmonicity in SnSe journal October 2015
Neutron diffraction study of the structural phase transition in SnS and SnSe journal January 1986
Thermoelectric transport properties of pristine and Na-doped SnSe 1−x Te x polycrystals journal January 2015
Statistical Physics of Crystals and Liquids book January 2003
Temperature and pressure induced phase transition in IV-VI compounds journal January 1984
Perspectives on thermoelectrics: from fundamentals to device applications journal January 2012
Thermoelectric properties of p-type polycrystalline SnSe doped with Ag journal January 2014
Resonant bonding leads to low lattice thermal conductivity journal April 2014
Electronic structure and thermoelectric properties of n - and p -type SnSe from first-principles calculations journal May 2015
Ab initiomolecular dynamics for liquid metals journal January 1993
Generalized Gradient Approximation Made Simple journal October 1996
Electron-phonon coupling and thermal transport in the thermoelectric compound Mo 3 Sb 7 − x Te x journal December 2015
First-principles calculations of the ferroelastic transition between rutile-type and CaCl 2 -type SiO 2 at high pressures journal October 2008
Microscopic mechanism of low thermal conductivity in lead-telluride text January 2012
The thermal expansion and high temperature transformation of SnS and SnSe* journal January 1979
Capacité calorifique de l'alliage Sn0,50Se0,50 à l'état solide entre 375 et 1135 K journal July 1981
Giant anharmonic phonon scattering in PbTe journal June 2011
Complex thermoelectric materials journal February 2008
Vibrational thermodynamics of materials journal May 2010
Self-interaction correction to density-functional approximations for many-electron systems journal May 1981
Large thermoelectric power factors and impact of texturing on the thermal conductivity in polycrystalline SnSe journal January 2016

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Phase Transformation Contributions to Heat Capacity and Impact on Thermal Diffusivity, Thermal Conductivity, and Thermoelectric Performance journal July 2019
Thermally enhanced Fröhlich coupling in SnSe journal February 2019
Lattice thermal conductivity of Bi 2 Te 3 and SnSe using Debye-Callaway and Monte Carlo phonon transport modeling: Application to nanofilms and nanowires journal September 2019
Thermal expansion in insulating solids from first principles journal November 2019
Colossal barocaloric effects in plastic crystals text January 2018
Critical mode and band-gap-controlled bipolar thermoelectric properties of SnSe text January 2018
Enhancing thermoelectric performance by Fermi level tuning and thermal conductivity degradation in (Ge1−xBix)Te crystals journal June 2019
Phonon anharmonicity in thermoelectric palladium sulfide by Raman spectroscopy journal July 2018
Intrinsic phonon-limited charge carrier mobilities in thermoelectric SnSe journal May 2018
Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles journal January 2018
Effects of temperature and pressure on the optical and vibrational properties of thermoelectric SnSe journal January 2019
A practical field guide to thermoelectrics: Fundamentals, synthesis, and characterization journal June 2018
Vacancies in SnSe single crystals in a near-equilibrium state journal January 2019
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
Colossal barocaloric effects in plastic crystals journal March 2019
Anisotropic thermal expansion of SnSe from first-principles calculations based on Grüneisen's theory journal January 2017
Three-Stage Inter-Orthorhombic Evolution and High Thermoelectric Performance in Ag-Doped Nanolaminar SnSe Polycrystals journal June 2017
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Tuning mobility and stability of lithium ion conductors based on lattice dynamics journal January 2018
High-Temperature Crystal Structure and Chemical Bonding in Thermoelectric Germanium Selenide (GeSe) journal April 2017
Critical mode and band-gap-controlled bipolar thermoelectric properties of SnSe journal August 2018
Thermal Expansion in Insulating Solids From First Principles text January 2019
Phonon anharmonicity in single-crystalline SnSe journal December 2018