ShengBTE: A solver of the Boltzmann transport equation for phonons

Keywords

Fortran, Computer science, Computational science, Byte, Solver

References

• Heat transport in dielectric solids with diamond structureM. Omini, Amelia Carolina Sparavigna — 1997
• Electronic structure and optical properties of Si, Ge and diamond in the lonsdaleite phaseAmrit De, Craig E Pryor — 2014
• Electrons and Phonons: The Theory of Transport Phenomena in SolidsJohn Ziman — 2001
• Beyond the isotropic-model approximation in the theory of thermal conductivity.M. Omini, Amelia Carolina Sparavigna — 1996
• Projector augmented-wave method.Peter E. Blöchl — 1994
• Acoustic phonon lifetimes and thermal transport in free-standing and strained graphene.Nicola Bonini, Jivtesh Garg, Nicola Marzari — 2012
• Zur kinetischen Theorie der Wärmeleitung in KristallenR. Peierls — 1929
• Generalized Gradient Approximation Made Simple.John P. Perdew, Kieron Burke, Matthias Ernzerhof — 1996
• First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressuresAtsushi Togo, Fumiyasu Oba, Isao Tanaka — 2008
• Thermal conductivity and phonon linewidths of monolayer MoS2 from first principlesWu Li, Jesús Carrete, Natalio Mingo — 2013
• Lonsdaleite, a Hexagonal Polymorph of DiamondClifford Frondel, Ursula B. Marvin — 1967
• Ab initio thermal transport in compound semiconductorsLucas Lindsay, David Broido, T. L. Reinecke — 2013
• Thermal conductivity of bulk and nanowire InAs, AlN, and BeO polymorphs from first principlesWu Li, Natalio Mingo — 2013
• The conductivity of thin wires in a magnetic fieldRobert G. Chambers — 1950
• Method to extract anharmonic force constants from first principles calculationsKeivan Esfarjani, Harold T. Stokes — 2008
• Pressure dependence of harmonic and anharmonic lattice dynamics in MgO: A first-principles calculation and implications for lattice thermal conductivityXiaoli Tang, Jianjun Dong — 2009
• Microscopic theory of force constants in the adiabatic approximationRobert Pick, Morrel H. Cohen, Richard M. Martin — 1970
• Lattice dynamics of diamondK. Aggarwal — 1967
• Three-phonon phase space and lattice thermal conductivity in semiconductorsLucas Lindsay, David Broido — 2008
• Hexagonal Diamond—A New Form of CarbonF. P. Bundy, J. S. Kasper — 1967

Cited by

• Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles.José Francisco Escudero Moratalla — 2014
• Prediction and Characterization of NaGaS2, A High Thermal Conductivity Mid-Infrared Nonlinear Optical Material for High-Power Laser Frequency Conversion.M. P. Rojas Sarmiento, Enrique Bello, D.A. Landı́nez Téllez — 2018
• Abnormally Strong Electron-Phonon Scattering Induced Unprecedented Reduction in Lattice Thermal Conductivity of Two-Dimensional Nb2C.Ed Cornelius — 2019
• Examining the thermal conductivity of the half-Heusler alloy TiNiSn by first-principles calculationsGuangqian Ding, G Y Gao, K L Yao — 2015
• Lattice thermal conductivity in β-Ga2O3 from first principlesMarco D. Santia, Nandan Tandon, John D. Albrecht — 2015
• Extending the diffusion approximation to the boundary using an integrated diffusion modelChen Chen, Zhidong Du, Liang Pan — 2015
• Effect of exchange-correlation on first-principles-driven lattice thermal conductivity predictions of crystalline siliconAnkit Jain, Alan J. H. McGaughey — 2015
• Microscopic Origin of Thermal Conductivity Reduction in Disordered van der Waals SolidsPaul Erhart, Per Hyldgaard, Daniel O. Lindroth — 2015
• First-principles study on lattice thermal conductivity of thermoelectrics HgTe in different phasesTao Ouyang, Ming Hu — 2015
• A Robust Approach to Lattice Thermal ConductivityWeston Nielson — 2015
• Ab initio description of the thermoelectric properties of heterostructures in the diffusive limit of transportNicki F. Hinsche, Florian Rittweger, Martin Hölzer — 2016
• High thermoelectric performance can be achieved in black phosphorusJie Zhang, Huijun Liu, Long Cheng — 2015
• High thermoelectric performance in two-dimensional graphyne sheets predicted by first-principles calculations.Xiaojian Tan, Hezhu Shao, Tianqi Hu — 2015
• Multidimensional quasiballistic thermal transport in transient grating spectroscopyAustin J. Minnich — 2015
• Topological Metal of NaBi with Ultralow Lattice Thermal Conductivity and Electron-phonon SuperconductivityRonghan Li, Xiyue Cheng, Qing Xie — 2014
• Thermoelectric Response of Bulk and Monolayer MoSe2 and WSe2Sonu Kumar, Udo Schwingenschlögl — 2015
• Intrinsic thermal conductivity and its anisotropy of wurtzite InNJinlong Ma, Wu Li, Xiaobing Luo — 2014
• Analytical Green’s function of the multidimensional frequency-dependent phonon Boltzmann equationChengyun Hua, Austin J. Minnich — 2014
• Phosphorene nanoribbon as a promising candidate for thermoelectric applicationsJ. Zhang, H. J. Liu, L. Cheng — 2014
• Low thermal conductivity and triaxial phononic anisotropy of SnSeJesús Carrete, Natalio Mingo, Stefano Curtarolo — 2014

Related papers

• JMASM1: RANGEN 2.0 ( Fortran 90/95)Gail Fahoome — 2002
• Computation of unsteady transonic flows through rotating and stationary cascades. 2: User's guide to FORTRAN program B2DATLE. Alzner, P. Kalben — 1977
• The FSE system for crop simulation, version 2.1D.W.G. van Kraalingen — 1995