Atomistic model potential for PbTiO3 and PMN by fitting first principles results

Ferroelectrics

Volumn 301, Issue , 2004, Pages 55-59

  Sepliarsky, M ^a,b   Wu, Z ^a   Asthagiri, A ^a   Cohen, R E ^a  

^a GEOPHYSICAL LABORATORY   (United States)

^b INSTITUTO DE FÍSICA ROSARIO   (Argentina)

Author keywords

Ferroelectric; Firstprinciples; Molecular dynamics; PbMg1 3Nb 2 3O3; PbTiO3; Piezoelectric; PMN; Relaxors; Shell model

Indexed keywords

FERROELECTRIC MATERIALS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PIEZOELECTRIC MATERIALS; POLARIZATION; QUENCHING;

FIRST PRINCIPLES; PBMG1/3NB2/3O3; PBTIO3; PMN; RELAXORS; SHELL MODELS;

LEAD COMPOUNDS;

EID: 20044378659     PISSN: 00150193     EISSN: 15635112     Source Type: Conference Proceeding    
DOI: 10.1080/00150190490454882     Document Type: Article

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