The unusual solid-state structure of mercury oxide: relativistic density functional calculations for the group 12 oxides ZnO, CdO, and HgO

Journal of Physical Chemistry A

Volumn 113, Issue 45, 2009, Pages 12427-12432

  Biering, Susan ^a   Hermann, Andreas ^a   Furthmüller, Jürgen ^b   Schwerdtfeger, P ^a  

^a MASSEY UNIVERSITY   (New Zealand)

^b FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CADMIUM OXIDE; CHAIN-LIKE; COHESIVE ENERGIES; CUBIC ROCK SALT STRUCTURE; DENSITY OF STATE; DENSITY-FUNCTIONAL CALCULATIONS; DENSITY-FUNCTIONAL STUDY; HEXAGONAL WURTZITE; MERCURY OXIDE; NONRELATIVISTIC; RELATIVISTIC EFFECTS; ROCK SALT STRUCTURES; SOLID-STATE STRUCTURES; STRUCTURAL DIFFERENCES; ZNO;

CADMIUM; CADMIUM COMPOUNDS; ELECTRONIC STRUCTURE; MERCURY (METAL); MERCURY COMPOUNDS; SALT DEPOSITS; ZINC; ZINC OXIDE; ZINC SULFIDE;

CRYSTAL SYMMETRY;

EID: 70449348217     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9025915     Document Type: Article

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