Ab initio calculations of surface electronic states in indium oxide

International Journal of Quantum Chemistry

Volumn 111, Issue 9, 2011, Pages 1902-1906

  Fuks, David ^a   Shapiro, Dina ^a   Kiv, Arnold ^a   Golovanov, Vyacheslav ^b,c   Liu, Chung Chiun ^c  

^a BEN GURION UNIVERSITY OF THE NEGEV   (Israel)

^b SOUTH UKRAINIAN NATIONAL PEDAGOGICAL UNIVERSITY   (Ukraine)

^c CASE WESTERN RESERVE UNIVERSITY   (United States)

Author keywords

In2O3; Slab approach; surface states

Indexed keywords

AB INITIO CALCULATIONS; ATOMIC CLUSTERS; AUGMENTED PLANE WAVES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY OF STATE; DIFFERENT GEOMETRY; ELECTRONIC SPECTRUM; IN2O3; INDIUM OXIDE; IONIC CHARACTER; LOCAL ORBITALS; POTENTIAL METHODS; SLAB APPROACH; SLAB MODEL; SUPER CELL; SURFACE ATOMS; SURFACE ELECTRONIC STATE; SURFACE ELECTRONIC STRUCTURES; SURFACE LAYERS; SURFACE STATES; VACUUM REGION; VERTICAL SIZE; WIEN 2K CODE;

ATOMIC SPECTROSCOPY; ATOMS; BOND STRENGTH (CHEMICAL); CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; ELECTRONIC STRUCTURE;

SURFACE STRUCTURE;

EID: 78649290769     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22487     Document Type: Article

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