Electronic structure of the delafossite-type CuMO2 (M = Sc, Cr, Mn, Fe, and Co): Optical absorption measurements and first-principles calculations

Hiroki Hiraga, Takayuki Makino, Tomoteru Fukumura, Hongming Weng, Masashi Kawasaki

研究成果: Article査読

52 被引用数 (Scopus)

抄録

We compared the results of first-principles calculations with measured absorption spectra in thin films of delafossite-type CuMO2 (M = Sc, Cr, Mn, Fe, and Co) taken at 10 K. Two optical transitions were found: one is associated with Cu3d + O2P → Cu3dz2 + 4S observed in all of the CuMO2 films, and the other is associated with Cu3d + O2P → M3d detected for M = Mn, Fe, and Co. The energy of the former transition showed an unexpected dependence on the atomic number of M. An abrupt change of this energy occurs for M = Cr, which is explained as a result of the interaction between the Cu3dz2 + 4s and M3d bands.

本文言語English
論文番号041411
ジャーナルPhysical Review B - Condensed Matter and Materials Physics
84
4
DOI
出版ステータスPublished - 2011 7月 29
外部発表はい

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学

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