Abstract
The scattered-wave method is used to calculate the energy spectrum and wave functions of electrons in clusters of α-Ti and its alloys with B, C, and N. A clear asymmetry in the distribution of electron density is revealed, which distinguishes groups of four and two atoms in the basal plane of the hcp structure, which correspond to the coordination of nearest and next-nearest neighbors in the (110) plane of the β phase.
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Original Russian Text © V.S. Demidenko, N.L. Zaitsev, T.V. Men’shchikova, I.A. Nechaev, A.V. Nyavro, L.F. Skorentsev, 2007, published in Fizika Metallov i Metallovedenie, 2007, Vol. 103, No. 1, pp. 75–79.
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Demidenko, V.S., Zaitsev, N.L., Men’shchikova, T.V. et al. Precursor of the virtual β phase in the topography of the electron density of the α-Ti13 nanocluster. Phys. Metals Metallogr. 103, 72–76 (2007). https://doi.org/10.1134/S0031918X07010097
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DOI: https://doi.org/10.1134/S0031918X07010097