Determination of the high-pressure properties of fayalite from first-principles calculations

Earth and Planetary Science Letters

Volumn 289, Issue 3-4, 2010, Pages 449-456

  Stackhouse, Stephen ^a   Stixrude, Lars ^b   Karki, Bijaya B ^c  

^a UNIVERSITY OF MICHIGAN   (United States)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

^c Louisiana State University   (United States)

Author keywords

ab initio; elastic properties; fayalite; first principles; GGA+U; high pressure

Indexed keywords

AB INITIO; AMBIENT PRESSURES; ELASTIC INSTABILITIES; ELASTIC PROPERTIES; ELECTRONIC BAND GAPS; ENERGY EXCITATION; EQUATION-OF-STATE; EXPERIMENTAL DATA; EXPERIMENTAL MEASUREMENTS; EXPERIMENTAL VALUES; FAYALITE; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; HIGH PRESSURE; HUBBARD; HUBBARD REPULSION; IRON IONS; IRON-BEARING MINERALS; OPTICAL SPECTRA; OPTICAL SPECTROSCOPY; PARTIAL DENSITIES; STRUCTURE AND DYNAMICS;

CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTICITY; ELECTRON ENERGY LEVELS; ENERGY GAP; MAGNETIC MOMENTS; METAL IONS; STRONTIUM COMPOUNDS;

STRUCTURAL PROPERTIES;

ELASTIC PROPERTY; EQUATION OF STATE; EXPERIMENTAL MINERALOGY; FAYALITE; HIGH PRESSURE;

EID: 73449147278     PISSN: 0012821X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.epsl.2009.11.033     Document Type: Article

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