Electronic structures of Mo pyrochlore: R2Mo2O7 (R=Nd, sm)
SCIE
SCOPUS
- Title
- Electronic structures of Mo pyrochlore: R2Mo2O7 (R=Nd, sm)
- Authors
- Kang, JS; Moritomo, Y; Xu, S; Olson, CG; Park, JH; Kwon, SK; Min, BI
- Date Issued
- 2002-06-01
- Publisher
- AMERICAN PHYSICAL SOC
- Abstract
- The electronic structures of Mo pyrochlore systems of R2Mo2O7 (R=Nd, Sm) have been investigated using photoemission spectroscopy (PES). The electronic states near E-F have mainly Mo 4d character. The R 4f states are located well below the Fermi level and the valence states of bulk Nd and Sm ions are very close to 3+. The local spin density approximation (LSDA) and LSDA+U+spin-orbit (SO) band calculations incorporating the effects of the on-site Coulomb correlation U and the SO interaction of Nd 4f electrons show the large hybridization between the Mo 4d and O 2p orbitals and the magnetic moment of similar to1.0mu(B) per Mo atom. The qualitative features of the measured valence-band PES spectra of Nd2Mo2O7 agree well with the LSDA+U+SO band structure calculation. The origin of the stable ferromagnetic phase in Nd2Mo2O7 has been discussed based on the nearly half-metallic electronic structure.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/12097
- DOI
- 10.1103/PHYSREVB.65.224422
- ISSN
- 1098-0121
- Article Type
- Article
- Citation
- PHYSICAL REVIEW B, vol. 65, no. 22, 2002-06-01
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