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Study on the electronic structure and Fermi surface of 3d-transition-metal disilisides CoSi2

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Abstract

We have investigated the electronic structure, the momentum density distribution ρ(p), and the Fermi surface FS of single crystals of the Pyrite-type 3d-transition-metal disilisides CoSi2. The band structure calculations, the density of states DOS, and the FS, in vicinity of Fermi level, have been carried out using the full-potential linearized augmented plane wave FP-LAPW method within generalized gradient approximation GGA for exchange and correlation potential. The measurements have been performed via the 2D angular correlation of annihilation radiation ACAR experiments. ρ(p) has been reconstructed by using the Fourier transformation technique. The FS has been reconstructed within the first Brillion zone BZ through the Locks, Crisp, and West LCW folding procedures. The analysis confirmed that Si 3sp states hybrid with both Co 3d–t 2g and Co 3d–e g states around Γ and X points, respectively. The dimensions of the FS of CoSi2 have been compared to the present calculations as well as to the earlier results.

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  1. A. S. Hamid

    Present address: Deanship of the Educational Services, Qassim University, Buridah, 81999, Qassim, Saudi Arabia

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  1. Department of Physics, Faculty of Science, Helwan University, Helwan Cairo, 12812, Egypt

    A. S. Hamid

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Correspondence to A. S. Hamid.

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This work has been done at the Institute of Applied Physics Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba, Ibaraki 305-8573, Japan.

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Hamid, A.S. Study on the electronic structure and Fermi surface of 3d-transition-metal disilisides CoSi2 . Appl. Phys. A 108, 849–855 (2012). https://doi.org/10.1007/s00339-012-6980-9

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