Electronic structure, Born effective charges and spontaneous polarization in magnetoelectric gallium ferrite

Journal of Physics Condensed Matter

Volumn 23, Issue 32, 2011, Pages

  Roy, Amritendu ^a   Mukherjee, Somdutta ^a   Gupta, Rajeev ^a   Auluck, Sushil ^b   Prasad, Rajendra ^a   Garg, Ashish ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

^b NATIONAL PHYSICAL LABORATORY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROMAGNETIC SPINS; BORN EFFECTIVE CHARGE; COMPARISON WITH EXPERIMENTS; CONSTITUENT IONS; DENSITY OF STATE; ELECTRON LOCALIZATION FUNCTION; ELECTRONIC BAND STRUCTURE; FIRST-PRINCIPLES CALCULATION; GROUND-STATE STRUCTURES; IONIC CHARACTER; IONIC CHARGE; LOCAL SPIN DENSITY APPROXIMATION; LSDA + U; PARTIAL DENSITY OF STATE; SPONTANEOUS POLARIZATIONS; STRUCTURE-PROPERTY CORRELATION; THEORETICAL STUDY;

ANTIFERROMAGNETIC MATERIALS; ANTIFERROMAGNETISM; CALCULATIONS; ELECTRONIC STRUCTURE; FERRITE; FERRITES; GROUND STATE; POLARIZATION;

DENSITY FUNCTIONAL THEORY;

EID: 80051536664     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/23/32/325902     Document Type: Article

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