Electronic Structure of 3d- and 4d-Transition Metal Alloys

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  • Electronic Structure of 3d-and 4d-Trans

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In this paper, we report the results of the ATA calculations of the band structures and the Fermi surface of V1−xMox(x=0.8, 0.5 and 0.2), Cr0.5Mo0.5 and V0.5Nb0.5. In order to test the reliability of the ATA framework, the complex energy bands and the electronic density of states in V0.5Mo0.5 and Nb0.5Mo0.5 are calculated by the CPA. Any marked difference between the ATA and the CPA results are not found for these systems.

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