Configurational Energies in Terms of Effective Cluster Interactions in Binary Substitutional Alloys: Connection between the Embedded Cluster Method and the Generalized Perturbation Method

P E A Turchi,G M Stocks,A Gonis,X.-G Zhang

doi:10.1007/978-94-009-0915-1_30

Configurational Energies in Terms of Effective Cluster Interactions in Binary Substitutional Alloys: Connection between the Embedded Cluster Method and the Generalized Perturbation Method

P E A Turchi, G M Stocks + Show 2 more

https://doi.org/10.1007/978-94-009-0915-1_30

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Publication Date: Jan 1, 1989

Citations: 1

Affiliation: Lawrence Livermore National Laboratory, Oak Ridge National Laboratory, Northwestern University

#Embedded Cluster Method #Generalized Perturbation Method + Show 8 more

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Abstract

Starting from the formal expansion of the configurational energy in terms of fully renormalized effective cluster interactions, it is shown that the Embedded Cluster Method (ECM) and the Generalized Perturbation Method (GPM) lead to identical expressions for the energy of a given alloy configuration within the Coherent Potential Approximation (CPA). Correction terms associated with fluctuations in the reference medium can be calculated in both methods. Numerical results are presented for a model tight binding Hamiltonian which clearly indicate the significance of multisite cluster interactions in the determination of the tendencies toward ordering or phase separation and phase stability in alloys.

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