Related references
Note: Only part of the references are listed.Theory of thermal expansion: Quasi-harmonic approximation and corrections from quasi-particle renormalization
Philip B. Allen
MODERN PHYSICS LETTERS B (2020)
First-principles study of phonon anharmonicity and negative thermal expansion in ScF3
Yusuke Oba et al.
PHYSICAL REVIEW MATERIALS (2019)
Thermal expansion in insulating solids from first principles
Ethan T. Ritz et al.
JOURNAL OF APPLIED PHYSICS (2019)
First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals
Terumasa Tadano et al.
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN (2018)
Nuclear quantum effect with pure anharmonicity and the anomalous thermal expansion of silicon
D. S. Kim et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2018)
Interplay between Phonons and Anisotropic Elasticity Drives Negative Thermal Expansion in PbTiO3
Ethan T. Ritz et al.
PHYSICAL REVIEW LETTERS (2018)
Unified first-principles theory of thermal properties of insulators
Navaneetha K. Ravichandran et al.
PHYSICAL REVIEW B (2018)
Pressure and stress tensor of complex anharmonic crystals within the stochastic self-consistent harmonic approximation
Lorenzo Monacelli et al.
PHYSICAL REVIEW B (2018)
Second-order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: Theory and stochastic implementation
Raffaello Bianco et al.
PHYSICAL REVIEW B (2017)
Negative thermal expansion and associated anomalous physical properties: review of the lattice dynamics theoretical foundation
Martin T. Dove et al.
REPORTS ON PROGRESS IN PHYSICS (2016)
Phonon anharmonicity in silicon from 100 to 1500 K
D. S. Kim et al.
PHYSICAL REVIEW B (2015)
Anharmonic phonon quasiparticle theory of zero-point and thermal shifts in insulators: Heat capacity, bulk modulus, and thermal expansion
Philip B. Allen
PHYSICAL REVIEW B (2015)
Thermal properties of black and blue phosphorenes from a first-principles quasiharmonic approach
Yierpan Aierken et al.
PHYSICAL REVIEW B (2015)
Thermal expansion coefficient of single-crystal silicon from 7 K to 293 K
Thomas Middelmann et al.
PHYSICAL REVIEW B (2015)
Self-consistent phonon calculations of lattice dynamical properties in cubic SrTiO3 with first-principles anharmonic force constants
Terumasa Tadano et al.
PHYSICAL REVIEW B (2015)
Mechanical and thermal properties of h-MX2 (M = Cr, Mo, W; X = O, S, Se, Te) monolayers: A comparative study
Deniz Cakir et al.
APPLIED PHYSICS LETTERS (2014)
Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations
T. Tadano et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2014)
Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides
Ion Errea et al.
PHYSICAL REVIEW B (2014)
Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations
Fei Zhou et al.
PHYSICAL REVIEW LETTERS (2014)
A first-principles approach to finite temperature elastic constants
Y. Wang et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2010)
Pronounced Negative Thermal Expansion from a Simple Structure: Cubic ScF3
Benjamin K. Greve et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Restoring the density-gradient expansion for exchange in solids and surfaces
John P. Perdew et al.
PHYSICAL REVIEW LETTERS (2008)
Linear optical properties in the projector-augmented wave methodology
M Gajdos et al.
PHYSICAL REVIEW B (2006)
Guest-dependent negative thermal expansion in nanoporous Prussian Blue analogues MIIPtIV(CN)6•x{H2O} (0 ≤ x ≤ 2; M = Zn, Cd)
AL Goodwin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
First-principles determination of the structural, vibrational and thermodynamic properties of diamond, graphite, and derivatives
N Mounet et al.
PHYSICAL REVIEW B (2005)
High-pressure lattice dynamics and thermoelasticity of MgO
BB Karki et al.
PHYSICAL REVIEW B (2000)
Temperature dependence of the first-order Raman phonon lime of diamond
MS Liu et al.
PHYSICAL REVIEW B (2000)
Share Paper
