相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Efficacious symmetry-adapted atomic displacement method for lattice dynamical studies
Chee Kwan Gan et al.
COMPUTER PHYSICS COMMUNICATIONS (2021)
Large thermal anisotropy in monoclinic niobium trisulfide: a thermal expansion tensor study
Chee Kwan Gan et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2019)
Anharmonic phonon effects on linear thermal expansion of trigonal bismuth selenide and antimony telluride crystals
Chee Kwan Gan et al.
COMPUTATIONAL MATERIALS SCIENCE (2018)
Anharmonic interatomic force constants and thermal conductivity from Gruneisen parameters: An application to graphene
Ching Hua Lee et al.
PHYSICAL REVIEW B (2017)
First-principles calculations of lattice dynamics and thermal properties of polar solids
Yi Wang et al.
NPJ COMPUTATIONAL MATERIALS (2016)
Large anharmonic effect and thermal expansion anisotropy of metal chalcogenides: The case of antimony sulfide
Chee Kwan Gan et al.
PHYSICAL REVIEW B (2015)
First principles phonon calculations in materials science
Atsushi Togo et al.
SCRIPTA MATERIALIA (2015)
First-principles study of the lattice dynamics of Sb2S
Yun Liu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Correlation between structure, phonon spectra, thermal expansion, and thermomechanics of single-layer MoS2
Liang Feng Huang et al.
PHYSICAL REVIEW B (2014)
Characterization of zero-point vibration in one-component crystals
Yong Yang et al.
EPL (2012)
Composition-temperature phase diagram of BexZn1-xO from first principles
Chee Kwan Gan et al.
COMPUTATIONAL MATERIALS SCIENCE (2010)
Optimized Tersoff and Brenner empirical potential parameters for lattice dynamics and phonon thermal transport in carbon nanotubes and graphene
L. Lindsay et al.
PHYSICAL REVIEW B (2010)
Berry phase effects on electronic properties
Di Xiao et al.
REVIEWS OF MODERN PHYSICS (2010)
ABINIT: First-principles approach to material and nanosystem properties
X. Gonze et al.
COMPUTER PHYSICS COMMUNICATIONS (2009)
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
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 phases of group-IV, III-V, and II-VI compounds
A Mujica et al.
REVIEWS OF MODERN PHYSICS (2003)
Efficient algorithm for band connectivity resolution
OV Yazyev et al.
PHYSICAL REVIEW B (2002)
Phonons and related crystal properties from density-functional perturbation theory
S Baroni et al.
REVIEWS OF MODERN PHYSICS (2001)