Pseudo Jahn-Teller origin of ferroelectric instability in BaTiO3 type perovskites: The Green's function approach and beyond

Physica B: Condensed Matter

Volumn 457, Issue , 2015, Pages 296-309

  Polinger, V ^a   Garcia Fernandez, P ^b   Bersuker, I B ^c  

^a UNIVERSITY OF WASHINGTON   (United States)

^b UNIVERSITY OF CANTABRIA   (Spain)

^c UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

DFT; Electron phonon coupling; Ferroelectricity; Green's functions; Perovskites; Pseudo Jahn Teller effect

Indexed keywords

BARIUM COMPOUNDS; CHEMICAL BONDS; ELECTRON-PHONON INTERACTIONS; EXCITED STATES; FERROELECTRICITY; GREEN'S FUNCTION; GROUND STATE; IONS; PEROVSKITE; PHONONS; POSITIVE IONS; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

ADIABATIC POTENTIAL ENERGY SURFACE; DFT; DIPOLE DIPOLE INTERACTIONS; ELECTRON PHONON COUPLINGS; FERROELECTRIC DISTORTION; FERROELECTRIC INSTABILITY; GREEN'S FUNCTION APPROACHES; MOLECULAR CALCULATIONS;

JAHN-TELLER EFFECT;

EID: 84939782612     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2014.09.048     Document Type: Article

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