Open AccessFirst-principles calculations of the electronic structure, chemical bonding, and thermodynamic properties of USiO4
Author(s) -
Li Su,
Lei Wan,
Tao Gao,
Bingyun Ao
Publication year - 2020
Publication title -
aip advances
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/5.0018203
Subject(s) - helmholtz free energy , ionic bonding , density functional theory , chemical bond , phonon , thermodynamics , band gap , materials science , electronic band structure , density of states , covalent bond , charge density , heat capacity , condensed matter physics , chemistry , computational chemistry , physics , ion , quantum mechanics , organic chemistry
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