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Anisotropic lattice distortions in random alloys from first-principles theory - art. no. 156401
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
2001 (English)In: PHYSICAL REVIEW LETTERS, ISSN 0031-9007, Vol. 8715, no 15, 6401-+ Language: English p.Article in journal (Refereed) Published
Abstract [en]

Within the framework of the exact muffin-tin orbitals EMTO) theory we have developed a new method to calculate the total energy for random substitutional alloys. The problem of disorder is treated within the coherent potential approximation (CPA), and the

Place, publisher, year, edition, pages
AMERICAN PHYSICAL SOC , 2001. Vol. 8715, no 15, 6401-+ Language: English p.
Keyword [en]
COHERENT-POTENTIAL APPROXIMATION; RANDOM SUBSTITUTIONAL ALLOYS; TOTAL-ENERGY; ELASTIC-CONSTANTS; PRESSURE; TRANSITION; METALS; ZN
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-37316OAI: oai:DiVA.org:uu-37316DiVA: diva2:65215
Note
Addresses: Vitos L, Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden. Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden. Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2012-03-30

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Vitos, LeventeJohansson, Börje

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