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High Thermal Conductivity in Isotopically Enriched Cubic Boron Phosphide
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September 2018 |
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Many-Particle Physics
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Thermal conductivity and heat capacity of solid nabr under pressure
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March 1985 |
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Thermal conductivity of solid NaF under high pressure
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July 1985 |
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Thermophysical properties of polycrystalline PbS, PbSe, and PbTe in the temperature range 300?700 K
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September 1983 |
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Thermal conductivity and heat capacity of solid AgCl under pressure
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September 1981 |
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The rise of self-consistent phonon theory
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November 1972 |
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Self-energy of phonons in an anharmonic crystal toO(δ 4)
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June 1974 |
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Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
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September 2013 |
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Nonmetallic crystals with high thermal conductivity
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January 1973 |
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Thermal conductivity and heat capacity of solid NaCl and NaI under pressure
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January 1986 |
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A neutron study of phonon dispersion relations in HgTe
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April 1980 |
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An iterative approach to the phonon Boltzmann equation in the theory of thermal conductivity
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July 1995 |
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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ShengBTE: A solver of the Boltzmann transport equation for phonons
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June 2014 |
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Thermal conductivity of silicon at elevated temperature: Role of four-phonon scattering and electronic heat conduction
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October 2020 |
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Thermal expansion induced reduction of lattice thermal conductivity in light crystals
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October 2017 |
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Thermal Properties and Phonon Spectral Characterization of Synthetic Boron Phosphide for High Thermal Conductivity Applications
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November 2017 |
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Convergence of electronic bands for high performance bulk thermoelectrics
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May 2011 |
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Phonon hydrodynamics in two-dimensional materials
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March 2015 |
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The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
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December 2015 |
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Designing chemical analogs to PbTe with intrinsic high band degeneracy and low lattice thermal conductivity
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February 2019 |
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Non-monotonic pressure dependence of the thermal conductivity of boron arsenide
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February 2019 |
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Modeling heat transport in crystals and glasses from a unified lattice-dynamical approach
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August 2019 |
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Selective breakdown of phonon quasiparticles across superionic transition in CuCrSe2
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October 2018 |
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Unified theory of thermal transport in crystals and glasses
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May 2019 |
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Semi-metals as potential thermoelectric materials
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June 2018 |
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High-throughput density-functional perturbation theory phonons for inorganic materials
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May 2018 |
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Non-negligible Contributions to Thermal Conductivity From Localized Modes in Amorphous Silicon Dioxide
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October 2016 |
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Thermal conductivity of Ga 1− x Al x As alloys
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March 1973 |
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Intrinsic lattice thermal conductivity of semiconductors from first principles
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December 2007 |
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Thermal conductivity of a boron phosphide single‐crystal wafer up to high temperature
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March 1989 |
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Low thermal conductivity and triaxial phononic anisotropy of SnSe
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September 2014 |
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Experimental study of the proposed super-thermal-conductor: BAs
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February 2015 |
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First-principles study on lattice thermal conductivity of thermoelectrics HgTe in different phases
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June 2015 |
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Thermal and thermoelectric transport measurements of an individual boron arsenide microstructure
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May 2016 |
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Lattice thermal transport in group II-alloyed PbTe
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April 2018 |
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Revisiting lattice thermal transport in PbTe: The crucial role of quartic anharmonicity
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August 2018 |
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Anharmonic stabilization and lattice heat transport in rocksalt β -GeTe
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November 2018 |
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Anharmonic effects and the lattice dynamics of insulators
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August 1971 |
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LI. A new treatment of anharmonicity in lattice thermodynamics: I
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April 1955 |
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Thermal conductivity and heat capacity of single-crystal LiF and CaF 2 under hydrostatic pressure
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December 1987 |
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The thermal conductivity and thermal diffusivity of KF as a function of pressure between 0 and 3.8 GPa
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February 1987 |
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A Neutron Scattering Study of Lattice Dynamics of HgTe and HgSe
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June 1982 |
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Phonon gas
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July 1976 |
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Anharmonic crystals
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January 1968 |
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The minimum thermal conductivity of alkali halides
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January 1989 |
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Three-phonon phase space and lattice thermal conductivity in semiconductors
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March 2008 |
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A mixed-space approach to first-principles calculations of phonon frequencies for polar materials
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April 2010 |
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Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations
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May 2014 |
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Effect of Quartic Anharmonicity on the Infrared Absorption of Alkali Halide Crystals
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March 1962 |
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Scattering of Neutrons by an Anharmonic Crystal
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December 1962 |
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Lattice Thermal Conductivity of Disordered Semiconductor Alloys at High Temperatures
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September 1963 |
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Energy-Flux Operator for a Lattice
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October 1963 |
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Thermal Conductivity of III-V Compounds at High Temperatures
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October 1963 |
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Inhomogeneous Electron Gas
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November 1964 |
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Self-Consistent Equations Including Exchange and Correlation Effects
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November 1965 |
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Acoustical-Optical Phonon Scattering in Ge, Si, and III-V Compounds
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January 1966 |
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Temperature Dependence of the Width of the Fundamental Lattice-Vibration Absorption Peak in Ionic Crystals. II. Approximate Numerical Results
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March 1967 |
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Self-Consistent Phonon Formulation of Anharmonic Lattice Dynamics
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January 1970 |
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Theory of thermal conductivity of anharmonic crystals: Nondiagonal Peierls contribution
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November 1974 |
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Revisiting phonon-phonon scattering in single-layer graphene
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August 2019 |
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Compressive sensing lattice dynamics. I. General formalism
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November 2019 |
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Compressive sensing lattice dynamics. II. Efficient phonon calculations and long-range interactions
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November 2019 |
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Stronger role of four-phonon scattering than three-phonon scattering in thermal conductivity of III-V semiconductors at room temperature
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December 2019 |
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First-principles predictions of temperature-dependent infrared dielectric function of polar materials by including four-phonon scattering and phonon frequency shift
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March 2020 |
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Observation of strong higher-order lattice anharmonicity in Raman and infrared spectra
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April 2020 |
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Quartic anharmonicity and anomalous thermal conductivity in cubic antiperovskites A 3 B O ( A = K , Rb ; B = Br , Au )
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May 2020 |
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Diagonal and nondiagonal Peierls contribution to the thermal conductivity of anharmonic crystals
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April 1981 |
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Isotope scattering of dispersive phonons in Ge
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January 1983 |
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Anharmonic effects in light scattering due to optical phonons in silicon
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August 1983 |
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Universal high-temperature saturation in phonon and electron transport
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March 1984 |
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Isotope scattering of large-wave-vector phonons in GaAs and InSb: Deformation-dipole and overlap-shell models
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July 1984 |
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Ab initio calculation of the macroscopic dielectric constant in silicon
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May 1986 |
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Semiempirical modified embedded-atom potentials for silicon and germanium
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September 1989 |
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Ab initiomolecular dynamics for liquid metals
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January 1993 |
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Thermal conductivity of disordered harmonic solids
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November 1993 |
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Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
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May 1994 |
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Lattice Thermal Conductivity of p -Type Mercury Telluride
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April 1972 |
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Thermal Conductivity of an Anharmonic Crystal
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May 1972 |
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Projector augmented-wave method
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December 1994 |
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Beyond the isotropic-model approximation in the theory of thermal conductivity
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April 1996 |
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
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Generalized gradient approximation for the exchange-correlation hole of a many-electron system
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December 1996 |
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Thermal Conductivity of II-VI Compounds and Phonon Scattering by Fe 2 + Impurities
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November 1972 |
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Linear optical properties in the projector-augmented wave methodology
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January 2006 |
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Predicting phonon properties and thermal conductivity from anharmonic lattice dynamics calculations and molecular dynamics simulations
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February 2009 |
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Calculation of the lattice constant of solids with semilocal functionals
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February 2009 |
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Assessing the performance of recent density functionals for bulk solids
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April 2009 |
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Ab initio theory of the lattice thermal conductivity in diamond
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September 2009 |
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Lattice thermal conductivity: Computations and theory of the high-temperature breakdown of the phonon-gas model
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December 2010 |
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Heat transport in silicon from first-principles calculations
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August 2011 |
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Thermal conductivity of half-Heusler compounds from first-principles calculations
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September 2011 |
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Lattice dynamics of anharmonic solids from first principles
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November 2011 |
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Microscopic mechanism of low thermal conductivity in lead telluride
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April 2012 |
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Phonon conduction in PbSe, PbTe, and PbTe 1 − x Se x from first-principles calculations
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May 2012 |
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Thermal conductivity of bulk and nanowire Mg 2 Si x Sn 1 − x alloys from first principles
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November 2012 |
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Temperature dependent effective potential method for accurate free energy calculations of solids
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March 2013 |
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Ab initio variational approach for evaluating lattice thermal conductivity
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July 2013 |
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Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides
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February 2014 |
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Thermal conductivity of fully filled skutterudites: Role of the filler
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May 2014 |
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Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles
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May 2014 |
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Distributions of phonon lifetimes in Brillouin zones
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March 2015 |
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Ultralow lattice thermal conductivity of the fully filled skutterudite YbFe 4 Sb 12 due to the flat avoided-crossing filler modes
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April 2015 |
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Thermal conductivity in PbTe from first principles
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June 2015 |
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Self-consistent phonon calculations of lattice dynamical properties in cubic SrTiO 3 with first-principles anharmonic force constants
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August 2015 |
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Quantum mechanical prediction of four-phonon scattering rates and reduced thermal conductivity of solids
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journal
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January 2016 |
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Anomalous thermal conductivity and suppression of negative thermal expansion in ScF 3
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July 2016 |
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Second-order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: Theory and stochastic implementation
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journal
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July 2017 |
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Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids
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October 2017 |
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Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles
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January 2018 |
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Four-phonon scattering reduces intrinsic thermal conductivity of graphene and the contributions from flexural phonons
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January 2018 |
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Unified first-principles theory of thermal properties of insulators
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August 2018 |
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Electron and phonon interactions and transport in the ultrahigh-temperature ceramic ZrC
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March 2019 |
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Entropy Driven Stabilization of Energetically Unstable Crystal Structures Explained from First Principles Theory
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March 2008 |
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Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
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April 2008 |
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Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
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April 2010 |
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Role of Disorder and Anharmonicity in the Thermal Conductivity of Silicon-Germanium Alloys: A First-Principles Study
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January 2011 |
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Anharmonic Stabilization of the High-Pressure Simple Cubic Phase of Calcium
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April 2011 |
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Direct Solution to the Linearized Phonon Boltzmann Equation
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June 2013 |
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First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?
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July 2013 |
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Phonon Self-Energy and Origin of Anomalous Neutron Scattering Spectra in SnTe and PbTe Thermoelectrics
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April 2014 |
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Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations
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October 2014 |
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Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study
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March 2015 |
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Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization
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November 2015 |
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Ultralow Thermal Conductivity in Full Heusler Semiconductors
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July 2016 |
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Lattice Thermal Conductivity of Polyethylene Molecular Crystals from First-Principles Including Nuclear Quantum Effects
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October 2017 |
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Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles
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March 2018 |
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Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics
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April 2018 |
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Antisite Pairs Suppress the Thermal Conductivity of BAs
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September 2018 |
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Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe
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February 2019 |
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Particlelike Phonon Propagation Dominates Ultralow Lattice Thermal Conductivity in Crystalline Tl 3 VSe 4
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February 2020 |
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Anharmonicity and Ultralow Thermal Conductivity in Lead-Free Halide Double Perovskites
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July 2020 |
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Microscopic Mechanisms of Glasslike Lattice Thermal Transport in Cubic Cu 12 Sb 4 S 13 Tetrahedrites
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August 2020 |
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Theory of the Self-Consistent Harmonic Approximation with Application to Solid Neon
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July 1966 |
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Thermal Conductivity of Ne and He 4 Quantum Crystals
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Application of the Embedded-Atom Method to Covalent Materials: A Semiempirical Potential for Silicon
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Anharmonic Phonon Lifetimes in Semiconductors from Density-Functional Perturbation Theory
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Generalized Gradient Approximation Made Simple
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Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces
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Quantum Thermal Transport from Classical Molecular Dynamics
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Computational prediction of lattice thermal conductivity: A comparison of molecular dynamics and Boltzmann transport approaches
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August 2019 |
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Phonon-Phonon Interactions in Strongly Bonded Solids: Selection Rules and Higher-Order Processes
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June 2020 |
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Finding Unprecedentedly Low-Thermal-Conductivity Half-Heusler Semiconductors via High-Throughput Materials Modeling
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February 2014 |
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Thermal Transport in Crystals as a Kinetic Theory of Relaxons
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October 2016 |
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High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites
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December 2016 |
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An Introduction To Compressive Sampling
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March 2008 |
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Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric Systems
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September 2008 |
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Experimental observation of high thermal conductivity in boron arsenide
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July 2018 |
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Unusual high thermal conductivity in boron arsenide bulk crystals
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July 2018 |
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High thermal conductivity in cubic boron arsenide crystals
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July 2018 |
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Effect of thallium doping on the thermal conductivity of PbTe single crystals
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July 2009 |
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Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials
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January 2016 |