First principles studies of the born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg1/3Nb2/3O3)

Computational Materials Science

Volumn 37, Issue 1-2, 2006, Pages 152-158

  Choudhury, Narayani ^a   Cohen, R E ^b   Walter, Eric J ^c  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

^b GEOPHYSICAL LABORATORY   (United States)

^c William and Mary   (United States)

Author keywords

Density functional calculations; Lattice dynamics; Relaxor ferroelectrics

Indexed keywords

FERROELECTRIC MATERIALS; GROUND STATE; LATTICE VIBRATIONS; NUMERICAL METHODS; PHONONS; PIEZOELECTRIC DEVICES; POLARIZATION; TENSORS;

BORN CHARGE TENSORS; DENSITY FUNCTIONAL CALCULATIONS; MONOCLINIC STRUCTURES; RELAXOR FERROELECTRICS;

DIELECTRIC DEVICES;

EID: 33745424559     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2005.12.038     Document Type: Article

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