Open AccessAnharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond
Author(s) -
Thomas D. Swinburne,
Jan Janßen,
Mira Todorova,
Gideon Simpson,
Petr Plecháč,
Mitchell Luskin,
Jörg Neugebauer
Publication year - 2020
Publication title -
physical review. b./physical review. b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.78
H-Index - 465
eISSN - 2469-9969
pISSN - 2469-9950
DOI - 10.1103/physrevb.102.100101
Subject(s) - anharmonicity , lattice vibration , ab initio , lattice (music) , thermodynamic integration , bond energy , lattice energy , bond length , vibration , atom (system on chip) , physics , condensed matter physics , materials science , phonon , chemistry , quantum mechanics , crystal structure , energy (signal processing) , molecule , crystallography , computer science , acoustics , embedded system
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