First-principles based atomistic modeling of phase stability in PMNxPT

Journal of Physics Condensed Matter

Volumn 23, Issue 43, 2011, Pages

  Sepliarsky, M ^a   Cohen, R E ^b  

^a INSTITUTO DE FÍSICA ROSARIO   (Argentina)

^b GEOPHYSICAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC MODELING; FERROELECTRIC BEHAVIOR; FIRST-PRINCIPLES; HIGH TEMPERATURE PHASE; MOLECULAR DYNAMICS SIMULATIONS; MORPHOTROPIC PHASE BOUNDARIES; POLAR STATE; POLARIZATION DIRECTION; SHELL MODELS; SITE OCCUPANCY; STATE SEQUENCES; STRUCTURAL DISORDERS; TETRAGONAL SYMMETRIES; TI CONTENT;

COMPUTER SIMULATION; FERROELECTRICITY; GROUND STATE; MOLECULAR DYNAMICS; PHASE DIAGRAMS;

PHASE STABILITY;

EID: 80054103901     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/23/43/435902     Document Type: Article

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