First-principles based modelling of ferroelectrics

Current Opinion in Solid State and Materials Science

Volumn 2, Issue 6, 1997, Pages 701-705

  Vanderbilt, David ^a  

^a RUTGERS UNIVERSITY   (United States)

Author keywords

DFT density functional theory; FE ferroelectric; LAPW local augmented plane wave; LDA linear density approximation; LMTO linear muffin tin orbital; NCPP norm conserving pseudopotential; P spontaneous electric polarization; USPP ultrasoft pseudopotential

Indexed keywords

EID: 0000551069     PISSN: 13590286     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1359-0286(97)80013-7     Document Type: Article

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