Ab-initio calculation of exchange interactions in YMnO3

Computational Materials Science

Volumn 44, Issue 1, 2008, Pages 79-81

  Novak P ^a   Chaplygin, I ^b   Seifert, G ^b   Gemming, S ^c   Laskowski, R ^d  

^a INSTITUTE OF PHYSICS   (Czech Republic)

^b DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^c INSTITUTE OF ION BEAM PHYSICS AND MATERIALS RESEARCH   (Germany)

^d VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Ab initio calculation; Exchange interaction; Yttrium manganite

Indexed keywords

ELECTRONIC STRUCTURE; FLOW INTERACTIONS; MANGANESE; MANGANESE COMPOUNDS; OXIDE MINERALS; SPIN DYNAMICS; YTTRIUM;

3D ELECTRONS; AB-INITIO CALCULATION; ANISOTROPIC EXCHANGES; BIQUADRATIC EXCHANGES; COLLINEAR SPIN STRUCTURES; EXCHANGE INTEGRALS; INITIO CALCULATIONS; LDA + U METHODS; NEAREST NEIGHBORS; SPIN CONFIGURATIONS; SUPEREXCHANGE INTERACTIONS; TOTAL ENERGIES; TRIANGULAR ARRANGEMENTS; YTTRIUM MANGANITE;

EXCHANGE INTERACTIONS;

EID: 54049093293     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.01.028     Document Type: Article

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