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Volumn 8, Issue 2-3, 2001, Pages 193-202
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Ab-initio studies of pressure induced phase transitions in BaO
a a a a |
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Author keywords
Alkaline earth oxides; Equation of state; Metallization; Phase transformation
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Indexed keywords
APPROXIMATION THEORY;
COMPUTER SIMULATION;
CRYSTALLINE MATERIALS;
ENERGY GAP;
EQUATIONS OF STATE;
EXTRAPOLATION;
GRADIENT METHODS;
LOW TEMPERATURE EFFECTS;
METALLIZING;
MOLECULAR DYNAMICS;
PHASE DIAGRAMS;
PHASE TRANSITIONS;
PROBABILITY DENSITY FUNCTION;
QUANTUM THEORY;
THERMODYNAMIC STABILITY;
DENSITY FUNCTIONAL THEORY (DFT);
GENERALIZED GRADIENT APPROXIMATIONS (GGA);
BARIUM COMPOUNDS;
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EID: 0036040292
PISSN: 09281045
EISSN: None
Source Type: Journal
DOI: 10.1023/A:1020085006640 Document Type: Conference Paper |
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Times cited : (15)
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References (24)
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