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Electronic structure and ground state parameters of Ru1-x Me (x) Al refractory alloys
National University of Science and Technology MISiS, Moscow.
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
National University of Science and Technology MISiS, Moscow.
2010 (English)In: PHYSICS OF THE SOLID STATE, ISSN 1063-7834, Vol. 52, no 9, 1803-1809 p.Article in journal (Refereed) Published
Abstract [en]

The electronic structure and ground state parameters of B2 RuAl-based refractory alloys have been investigated in the framework of the density functional theory using the exact muffin-tin orbital method in combination with the coherent potential approximation. It has been demonstrated that the number of states at the Fermi level for the Ru1 - x Me (x) Al alloys as a function of the alloying metal content has a minimum, which indicates a change in the Fermi surface topology and the presence of specific features in the behavior of elastic constants. It has been concluded that the electronic structure of the alloys can be described in terms of the rigid band model. The nonlinear variations of the lattice parameters of the alloys has been explained.

Place, publisher, year, edition, pages
Springer Science Business Media , 2010. Vol. 52, no 9, 1803-1809 p.
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:liu:diva-59953DOI: 10.1134/S1063783410090039ISI: 000281906400003OAI: oai:DiVA.org:liu-59953DiVA: diva2:354356
Available from: 2010-10-01 Created: 2010-10-01 Last updated: 2011-02-24

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Isaev, Eyvas

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