First-principles phonon calculations of Fe 4+ impurity in SrTiO 3

Journal of Physics Condensed Matter

Volumn 24, Issue 10, 2012, Pages

  Blokhin, E ^a   Kotomin, E A ^a,b   Maier, J ^a  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b UNIVERSITY OF LATVIA   (Latvia)

Author keywords

[No Author keywords available]

Indexed keywords

FIRST-PRINCIPLES; GROUP-THEORETICAL ANALYSIS; HYBRID DENSITY FUNCTIONAL THEORY; LINEAR COMBINATION OF ATOMIC ORBITALS; PHONON CALCULATION; PHONON DENSITY OF STATE; PHONON MODE; SRTIO;

IMPURITIES; PHONONS; QUANTUM CHEMISTRY;

CALCULATIONS;

EID: 84857417318     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/10/104024     Document Type: Article

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