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Applications of coherent potential approximation to HEAs
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0003-2832-3293
2016 (English)In: High-Entropy Alloys: Fundamentals and Applications, Springer, 2016, 299-332 p.Chapter in book (Other academic)
Abstract [en]

This chapter details the coherent potential approximation (CPA) to describe the chemically and magnetically disordered phases for systems of arbitrary number of components. Two widely used CPA implementations, namely, the exact muffin-tin orbitals (EMTO) and the Korringa–Kohn–Rostoker (KKR) methods, are briefly reviewed. Applications to predict lattice stability, electronic and magnetic structure, elasticity properties, and stacking fault energies of single-phase HEAs are presented. © Springer International Publishing Switzerland 2016.

Place, publisher, year, edition, pages
Springer, 2016. 299-332 p.
Keyword [en]
Coherent potential application (CPA), Density functional theory (DFT), Disordered solid solution, Elastic consents, Elasticity, Electronic structure, Exact muffin-tin orbitals (EMTO), High-entropy alloys (HEAs), Korringa–Kohn–Rostoker (KKR), Magnetism, Stacking fault energy
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-194579DOI: 10.1007/978-3-319-27013-5_9ScopusID: 2-s2.0-84978258755ISBN: 9783319270135 (ISBN); 9783319270111 (ISBN)OAI: oai:DiVA.org:kth-194579DiVA: diva2:1044177
Note

Correspondence Address: Tian, F.; Institute for Applied Physics, University of Science and Technology BeijingChina; email: fuyang@ustb.edu.cn. QC 20161102

Available from: 2016-11-02 Created: 2016-10-31 Last updated: 2016-11-02Bibliographically approved

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