All-electron and pseudopotential study of MgO: Equation of state, anharmonicity, and stability

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 22, 2003, Pages

  Oganov, Artem R ^a,c   Dorogokupets, Peter I ^b  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b INSTITUTE OF THE EARTH S CRUST   (Russian Federation)

^c ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

MAGNESIUM OXIDE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL ANALYSIS; DENSITY; DYNAMICS; ELECTRON; HIGH TEMPERATURE; MOLECULAR STABILITY; PRESSURE; SIMULATION;

EID: 0043207357     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.67.224110     Document Type: Article

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