First-principles study of the (0 0 1) surface of cubic BiAlO3

Physica B: Condensed Matter

Volumn 405, Issue 22, 2010, Pages 4687-4690

  Cui, Jie ^a   Liu, Wei ^b  

^a XI'AN UNIVERSITY OF TECHNOLOGY   (China)

^b YULIN UNIVERSITY   (China)

Author keywords

First principles; Surface electronic structure; Surface energy; Surface relaxation

Indexed keywords

BAND GAPS; BAND-GAP REGION; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; PLANE WAVE; SURFACE ELECTRONIC STRUCTURE; SURFACE ELECTRONIC STRUCTURES; SURFACE ENERGIES; SURFACE ENERGY; ULTRASOFT PSEUDOPOTENTIALS;

ELECTRON MOBILITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; INTERFACIAL ENERGY; SURFACE CHEMISTRY; SURFACE RELAXATION;

SURFACE STRUCTURE;

EID: 77957865021     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.08.063     Document Type: Article

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