MEM charge density analysis of orbital-ordering of Nd0.35Sr 0.65MnO3

Journal of the Physical Society of Japan

Volumn 74, Issue 8, 2005, Pages 2137-2140

  Kato, Kenichi ^a,b   Takata, Masaki ^a,b   Nishibori, Eiji ^c   Sakata, Makoto ^c   Hamada, Noriaki ^d   Moritomo, Yutaka ^a,b,c  

^a JAPAN SYNCHROTRON RADIATION RESEARCH INSTITUTE   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c NAGOYA UNIVERSITY   (Japan)

^d TOKYO UNIVERSITY OF SCIENCE   (Japan)

Author keywords

MEM charge density analysis; Orbital ordering; SR x ray powder diffraction

Indexed keywords

EID: 24644516235     PISSN: 00319015     EISSN: 00319015     Source Type: Journal    
DOI: 10.1143/JPSJ.74.2137     Document Type: Article

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21. in/4).
22. 3 with the full-potential linearized augmented plane wave (FLAPW) method within the LDA scheme. We used the actual atomic coordinates at 30 K. We found that the charge density of the shorter Mn-O2 bond is higher than that of the longer Mn-O1 bond. The charge density of the Mn-O2 bond has the nature of a bonding electron.