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• W3036691948 abstract "The single-site Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) ignores short-range ordering present in disordered metallic systems. In this paper, we establish a technique to fix this shortcoming by embedding an averaged cluster that displays chemical short-range order (SRO). The degree of SRO can be tuned by externally defined order parameters. This averaged cluster can be embedded in the single-site CPA medium or a self-consistently obtained effective medium that contains SRO information. The validity of this method is demonstrated by applying it to two alloy systems---the CuZn body-centered cubic (BCC) solid solution, and AlCrTiV, a four-element BCC high entropy alloy. A comparison between the non-self-consistent and self-consistent modes is also provided for the two above-mentioned systems. We make the code available on the internet. Planned extensions to this paper are discussed." @default.
• W3036691948 created "2020-06-25" @default.
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• W3036691948 date "2020-08-17" @default.
• W3036691948 modified "2023-10-16" @default.
• W3036691948 title "Averaged cluster approach to including chemical short-range order in KKR-CPA" @default.
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• W3036691948 doi "https://doi.org/10.1103/physrevb.102.054207" @default.
• W3036691948 hasPublicationYear "2020" @default.
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