First-principles calculation of optical conductivity of FeSe and CoSe

H. Ikeda, M. Shirai, N. Suzuki, K. Motizuki

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)


The absorption spectra Iα(ω) (α = x, y, z) due to inter-band transitions are calculated for NiAs-type FeSe and CoSe by evaluating the matrix elements of the dipole-transition with use of the wave functions obtained by the LAPW band calculations. In both compounds the shape of Iα(ω) differs from that of the joint density-of-states, nd Iα(ω) are anisotropic, namely Iz(ω) is quite different from Iy(ω) = Iy(ω). The spectra of Ix(ω) obtained for FeSe and CoSe show a fairly good correspondence to the absorption spectra observed in Fe7Se8 and Co7Se8, respectively.

Original languageEnglish
Pages (from-to)91-94
Number of pages4
JournalJournal of Electron Spectroscopy and Related Phenomena
Publication statusPublished - 1996 May


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