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European Physical Journal B

Volumn 85, Issue 6, 2012, Pages

First-principles study of electronic, dynamical and thermodynamic properties of Li 2TiO 3

(6) Wan, Z a Yu, Y a Zhang, H F a Gao, T a Chen, X J b Xiao, C J b

a SICHUAN UNIVERSITY (China)

b RESEARCH CENTER OF LASER FUSION (China)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE CALCULATION; BRILLOUIN ZONES; DYNAMICAL PROPERTIES; EXPERIMENTAL DATA; EXPERIMENTAL VALUES; FIRST-PRINCIPLES STUDY; GRADIENT APPROXIMATION; HIGH SYMMETRY; LITHIUM TITANATE; PHONON DENSITY OF STATE; PHONON DISPERSION CURVES; PHONON FREQUENCIES; PLANE-WAVE PSEUDOPOTENTIAL METHOD; STRUCTURAL PARAMETER; THERMODYNAMIC FUNCTIONS; TIO; TOTAL ENERGY CALCULATION;

CALCULATIONS;

LITHIUM;

EID: 84864555595 PISSN: 14346028 EISSN: 14346036 Source Type: Journal
DOI: 10.1140/epjb/e2012-20666-5 Document Type: Article

Times cited : (34)

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