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Method for computing the electronic structure of thin crystalline films with disordered surface atoms

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Abstract

We present a Green's function method for computing the electronic structure of a crystalline film in which the surface atoms are disordered. The disorder is taken into account by considering an ensemble of random displacement configurations. We use a uninodal approximation to construct a general formalism for the method and obtain a determinant equation and expression for the density of states, permitting a numerical solution to the spectral problem. We discuss which features of the surface electronic structure are due to displacement disorder in the surface region of the crystal, and in what systems such disorder can be realized.

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Authors and Affiliations

  1. Institute of the Physics of Strength of Materials and Materials Research, Tomsk Filial, Siberian Branch, Academy of Sciences of the USSR, USSR

    V. E. Egorushkin & E. V. Savushkin

Authors
  1. V. E. Egorushkin
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  2. E. V. Savushkin
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Additional information

Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 81–88, August, 1988.

We thank G. V. Vol'f for some useful discussions.

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Egorushkin, V.E., Savushkin, E.V. Method for computing the electronic structure of thin crystalline films with disordered surface atoms. Soviet Physics Journal 31, 675–681 (1988). https://doi.org/10.1007/BF01102549

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  • DOI: https://doi.org/10.1007/BF01102549

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