Electronic Band Structure and Unoccupied Density of States for YbAs and Yb_4As_3
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概要
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The one-electron energy band structure for YbAs and Yb.As. is calculated up to1.5 Ry above the Fermi energy by a self-consistent augmented plane wave (APW)method with the local density approximation. The calculated unoccupied density ofstates is compared with the observed bremsstrahlung isochrontat spectroscopy (BIS)spectra. In YbAs, two peaks appear at about 5.5 and 10 eV above the Fermi energy,in good agreement with the experimental result. These originate from the Yb 5d andthe Yb 5#-As 4p antibonding states, respectively. In Yb.As., a broad peakoriginating from the Yb 5d states combined with the antibonding state appears atabout 5.5 eV above the Fermi energy. The discrepancy between calculated and ob-served peak positions is due to the valence fluctuation.band theory, unoccupied density of states, BIS, YbAs, Yb.As.
- 社団法人日本物理学会の論文
- 1991-12-15
著者
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Takegahara Katsuhiko
Department Of Material Science And Technology Hirosaki University
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Kaneta Yasunori
Department Of Physics Tohoku University
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