Abstract
c-f hybridization matrices for Ce-monopnictides and Ce-metals are calculated based on the detailed band calculation. They have a broad peak at about 0.1 Ry below the Fermi level. PES and BIS are calculated by using the hybridization matrices and also by including the d-f Coulomb interaction. Calculated PES shows double peak structure. The intensity ratio and the location of the peaks show good agreement with experiments. The deeper peak is due to the bonding effect of the c-f hybridization. The shallower peak in Ce-monopnictides is mainly ascribed to the anti-bonding effect, while the peak in Ce-metals is composed of the anti-bonding peak and those due to the Fermi edge effects. The d-f Coulomb interaction reduces the magnitude of the hybridization and broadens the width of the peaks.
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In this paper we use the terminology α-La and γ-La as a analog of α-Ce and γ-Ce.
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Takeshige, M., Sakai, O., Kasuya, T. (1985). PES and BIS Spectra in Ce-Compounds. In: Kasuya, T., Saso, T. (eds) Theory of Heavy Fermions and Valence Fluctuations. Springer Series in Solid-State Sciences, vol 62. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-82618-4_9
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DOI: https://doi.org/10.1007/978-3-642-82618-4_9
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