Comparison of Electromechanical Properties of BaTiO3 between LAPW and a Model Hamiltonian

AIP Conference Proceedings

Volumn 535, Issue , 2000, Pages 151-158

  Stolbov, S ^a   Fu, H ^a   Cohen, R E ^a   Bellaiche, L ^b   Vanderbilt, David ^c  

^a GEOPHYSICAL LABORATORY   (United States)

^b UNIVERSITY OF ARKANSAS   (United States)

^c RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BARIUM TITANATE; ELECTRIC FIELDS; FERROELECTRIC MATERIALS; FREE ENERGY; INDUCED POLARIZATION LOGGING; MONTE CARLO METHODS; OSMIUM ALLOYS; POLARIZATION; TERNARY ALLOYS;

CALCULATION RESULTS; EFFECTIVE HAMILTONIAN; ELECTRIC FIELD DEPENDENCIES; ELECTROMECHANICAL PROPERTY; LINEARIZED AUGMENTED PLANE WAVES; POLARIZATION AND STRAINS; POLARIZATION ROTATION; ULTRASOFT PSEUDOPOTENTIALS;

HAMILTONIANS;

EID: 85037684507     PISSN: 0094243X     EISSN: 15517616     Source Type: Conference Proceeding    
DOI: 10.1063/1.1324451     Document Type: Conference Paper

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