Abstract
Using the local approximation for exchange-correlation effects we employ the linearized augmented-plane-wave method (LAPW) to compute self-consistently the band structure, equilibrium lattice constant, and x-ray spectra of the B2-phase of the NiAl intermetallic alloy. The results are compared to other theoretical and experimental data.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fiziki, No. 7, pp. 41–45, July, 1987.
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Lozovoi, A.Y., Vlasov, S.V. & Farberovich, O.V. Electronic structure of NiAl. Soviet Physics Journal 30, 599–603 (1987). https://doi.org/10.1007/BF00895226
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DOI: https://doi.org/10.1007/BF00895226