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Theoretical investigation of sulfur solubility in pure copper and dilute copper-based alloys
Uppsala University.
Uppsala University.
Uppsala University.
1999 (English)In: ACTA MATERIALIA, ISSN 1359-6454, Vol. 47, no 5, 1417-1424 p.Article in journal (Other scientific) Published
Abstract [en]

Dilute Cu-based alloys containing S, P, and Ag impurities and also vacancies are studied theoretically on the basis of total energy calculations. This is done within the supercell approach by using the locally self-consistent Green's function (LSGF) metho

Place, publisher, year, edition, pages
PERGAMON-ELSEVIER SCIENCE LTD , 1999. Vol. 47, no 5, 1417-1424 p.
Keyword [en]
GREEN-FUNCTION METHOD; ELECTRONIC-STRUCTURE; CU; ENERGIES; DIGENITE; DENSITY; METALS; NI; AG; DIFFUSION
Identifiers
URN: urn:nbn:se:uu:diva-67613OAI: oai:DiVA.org:uu-67613DiVA: diva2:95524
Note
Addresses: Korzhavyi PA, Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, Box 530, S-75121 Uppsala, Sweden. Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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