Phonon frequencies of tetragonally strained PbTiO3 from first principles

Phase Transitions

Volumn 86, Issue 2-3, 2013, Pages 200-205

  Marton, Pavel ^a,b   Hlinka, Jiří ^a  

^a INSTITUTE OF PHYSICS   (Czech Republic)

^b TECHNICAL UNIVERSITY OF LIBEREC   (Czech Republic)

Author keywords

density functional theory; ferroelectricity; PbTiO3; phonon; tetragonality

Indexed keywords

EPITAXIAL THIN FILMS; FREQUENCY SHIFT; LONGITUDINAL OPTICAL PHONONS; OPTICAL SPECTROSCOPY; PBTIO3; PHONON FREQUENCIES; TETRAGONALITY; TOTAL-ENERGY CALCULATIONS; UNIT CELLS;

ASPECT RATIO; CALCULATIONS; FERROELECTRICITY; PHONONS;

DENSITY FUNCTIONAL THEORY;

EID: 84872360115     PISSN: 01411594     EISSN: 10290338     Source Type: Journal    
DOI: 10.1080/01411594.2012.727259     Document Type: Conference Paper

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