First-principles thermodynamics of defects in semiconductors

Physica B: Condensed Matter

Volumn 340-342, Issue , 2003, Pages 630-636

  Sanati, M ^a   Estreicher, S K ^a  

^a TEXAS TECH UNIVERSITY   (United States)

Author keywords

Free energy; Silicon; Theory; Vibrational entropy

Indexed keywords

ACTIVATION ENERGY; APPROXIMATION THEORY; CRYSTAL DEFECTS; ELECTRON ENERGY LEVELS; ENTROPY; FREE ENERGY; FREQUENCIES; KINETIC ENERGY; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PRESSURE EFFECTS; PROBABILITY DENSITY FUNCTION; QUENCHING; SPECIFIC HEAT OF SOLIDS; THERMAL EFFECTS; THERMAL EXPANSION;

ROOM TEMPERATURE; VIBRATIONAL ENTROPY; ZERO-POINT ENERGY;

SEMICONDUCTOR MATERIALS;

EID: 0347946821     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2003.09.158     Document Type: Conference Paper

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