Abstract
The cohesive energy of transition metals and its contributions related to the s-and d-electrons are calculated. The correlation of interatomic bonding strength, molar volume, and compressibility of transition metals with cohesion energy and corresponding contributions to it is shown. It is demonstrated that the s-electrons play an important part in the cohesion of transition metals. The main contributions to the formation energy of disordered alloys of copper with transition metals are calculated using the tight-binding approach. The results obtained are in qualitative agreement with experimental data on the thermodynamic properties of Cu-3d-metal systems.
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Translated from Poroshkovaya Metallurgiya, Vol. 47, No. 1–2 (459), pp. 37–54, 2008.
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Turchanin, M.A., Agraval, P.G. Cohesive energy, properties, and formation energy of transition metal alloys. Powder Metall Met Ceram 47, 26–39 (2008). https://doi.org/10.1007/s11106-008-0006-3
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DOI: https://doi.org/10.1007/s11106-008-0006-3