First-principles study of the atomistic and electronic structure of the niobiuin-α-aluinina (0001) interface

Philosophical Magazine Letters

Volumn 73, Issue 6, 1996, Pages 377-384

  Kruse, Carsten ^a   Finnis, M W ^a,e   Lin, J S ^b,f   Payne, Michael C ^b   Milman, Victor Y ^c   De Vita, Alessandro ^d,g   Gillan, Michael J ^d  

^a MAX PLANCK INSTITUTE FOR INTELLIGENT SYSTEMS   (Germany)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c Molecular Simulations Ltd   (United Kingdom)

^d KEELE UNIVERSITY   (United Kingdom)

^e QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

^f INSTITUT ROMAND DE RECHERCHE NUMÉRIQUE EN PHYSIQUE DES MATÉRIAUX IRRMA   (Switzerland)

^g TAMKANG UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINA; BONDING; CALCULATIONS; CARRIER CONCENTRATION; CRYSTAL ATOMIC STRUCTURE; CRYSTAL LATTICES; ELECTRONIC STRUCTURE; INTERFACES (MATERIALS); MONOLAYERS; NIOBIUM; RELAXATION PROCESSES;

ELECTRONIC CHARGE DENSITY; INTERLAYER RELAXATION; METAL CERAMIC INTERFACES;

CERAMIC MATERIALS;

EID: 0030166932     PISSN: 09500839     EISSN: 13623036     Source Type: Journal    
DOI: 10.1080/095008396180650     Document Type: Article

References (15)

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