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A quantum mechanical evaluation of the interaction between oxygen and aluminum atoms in the aluminum lattice

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Abstract

Using the method of linear combinations of atomic orbits, the interaction energy and character of the bond between oxygen atoms introduced into an aluminum lattice and the surrounding aluminum atoms are evaluated. The value obtained for the energy of the bound state exceeds the estimated value of the interatomic bond energy in the aluminum lattice by more than an order. The bond bears an ionic character.

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Authors and Affiliations

  1. Moscow Institute of Steel and Alloys, USSR

    E. I. Mozzhukhin & P. B. Smirnov

Authors
  1. E. I. Mozzhukhin
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  2. P. B. Smirnov
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, Vol. 16, No. 9, pp. 71–76, September, 1973.

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Mozzhukhin, E.I., Smirnov, P.B. A quantum mechanical evaluation of the interaction between oxygen and aluminum atoms in the aluminum lattice. Soviet Physics Journal 16, 1249–1253 (1973). https://doi.org/10.1007/BF00890888

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  • DOI: https://doi.org/10.1007/BF00890888

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