Abstract
This chapter describes one specific method for the configurational averaging of physical observables related to substitutionally random systems, the so-called coherent potential approximation (CPA). The calculation of such averages is greatly simplified by expressing them in terms of the Green function G(z). One of the main tasks of alloy theory is thus to find computational methods and approximations for the configurational average of G(z), 〈G(z)〉 ≡ Ḡ(z). Once 〈G(z)〉 is known the configurationally averaged one-electron observables can be calculated.
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Turek, I., Drchal, V., Kudrnovský, J., Šob, M., Weinberger, P. (1997). Coherent Potential Approximation (CPA). In: Electronic Structure of Disordered Alloys, Surfaces and Interfaces. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-6255-9_4
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DOI: https://doi.org/10.1007/978-1-4615-6255-9_4
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