Wannier functions characterization of floating bonds in a-Si

Computational Materials Science

Volumn 20, Issue 3-4, 2001, Pages 337-342

  Fornari, M ^a,b,c   Marzari, N ^a,b   Peressi, M ^c   Baldereschi, A ^c,d  

^a NAVAL RESEARCH LABORATORY   (United States)

^b GEORGE MASON UNIVERSITY   (United States)

^c UNIVERSITY OF TRIESTE   (Italy)

^d EPFL   (Switzerland)

Author keywords

Amorphous silicon; Floating bonds; Wannier functions

Indexed keywords

CHEMICAL BONDS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FUNCTIONS; POLARIZATION;

DENSITY FUNCTIONAL THEORY (DFT); FLOATING BONDS; MAXIMALLY LOCALIZED WANNIER FUNCTIONS (MLWF);

AMORPHOUS SILICON;

EID: 0034919252     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0927-0256(00)00191-9     Document Type: Article

References (14)