Extent of relaxation of the α-Al2O3 (0001) surface and the reliability of empirical potentials

Surface Science

Volumn 445, Issue 2-3, 2000, Pages 448-460

  Baxter, R ^a   Reinhardt, P ^b   Lopez N ^a   Illas, F ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

^b MAX PLANCK INSTITUT FÜR PHYSIK KOMPLEXER SYSTEME   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL GROWTH; CRYSTAL MICROSTRUCTURE; LOW ENERGY ELECTRON DIFFRACTION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES; RELIABILITY THEORY; SPECTROSCOPIC ANALYSIS; SURFACE STRUCTURE; THIN FILMS;

DENSITY FUNCTIONAL THEORY; EMPIRICAL POTENTIALS; HARTREE-FOCK CALCULATION;

CORUNDUM;

EID: 0033873565     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(99)01108-5     Document Type: Article

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