A comparative density functional study of the low pressure phases of solid ZnX, CdX, and HgX: Trends and relativistic effects

Journal of Chemical Physics

Volumn 136, Issue 3, 2012, Pages

  Biering, S ^a   Schwerdtfeger, P ^b  

^a MASSEY UNIVERSITY   (New Zealand)

^b PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COHESIVE ENERGIES; DENSITY-FUNCTIONAL STUDY; GROUND STATE PROPERTIES; LOW PRESSURES; NONRELATIVISTIC; RELATIVISTIC EFFECTS; SEMI-CONDUCTING PROPERTY; ZERO TEMPERATURES;

CHALCOGENIDES; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MERCURY (METAL); MERCURY COMPOUNDS; SEMICONDUCTING SELENIUM COMPOUNDS; TEMPERATURE; ZINC COMPOUNDS;

CRYSTAL STRUCTURE;

EID: 84856505479     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3675833     Document Type: Article

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