Ab initio study of α-Al2O3(0001): the effects of exchange and correlation functionals

Surface Science

Volumn 458, Issue 1, 2000, Pages 25-33

  Wander, A ^a   Searle, B ^a   Harrison, N M ^b  

^a DARESBURY LABORATORY   (United Kingdom)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CORRELATION METHODS; CRYSTAL STRUCTURE; INSULATING MATERIALS; ION EXCHANGE; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RELAXATION PROCESSES; SINGLE CRYSTALS; SURFACE STRUCTURE; SURFACE TREATMENT;

DENSITY FUNCTIONAL CALCULATION; EXCHANGE CORRELATION FUNCTIONALS; INSULATING SURFACES;

SEMICONDUCTING ALUMINUM COMPOUNDS;

EID: 0033705570     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(00)00454-4     Document Type: Article

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