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Journal of Solid State Chemistry

Volumn 205, Issue , 2013, Pages 97-103

Physical properties of zircon and scheelite lutetium orthovanadate: Experiment and first-principles calculation

(3) Huang, Zuocai a Zhang, Lei a Pan, Wei a

a TSINGHUA UNIVERSITY (China)

Author keywords

First principles calculation; High pressure; Phase transition

Indexed keywords

ACOUSTIC DISPERSION; CRYSTAL LATTICES; DISPERSIONS; LATTICE CONSTANTS; PHASE TRANSITIONS; PHONONS; PRASEODYMIUM COMPOUNDS; SILICATE MINERALS; SOLID STATE REACTIONS; THERMODYNAMIC PROPERTIES; THERMODYNAMICS; TUNGSTATE MINERALS; ZIRCON;

BORN EFFECTIVE CHARGE; FINITE TEMPERATURES; FIRST-PRINCIPLES CALCULATION; HIGH PRESSURE; INTERNAL FREQUENCY; LINEAR RESPONSE METHOD; PHONON DENSITY OF STATE; PHONON DISPERSIONS;

CALCULATIONS;

EID: 84885646752 PISSN: 00224596 EISSN: 1095726X Source Type: Journal
DOI: 10.1016/j.jssc.2013.07.006 Document Type: Article

Times cited : (13)

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