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Ab initio phonon calculations for L12 Ni3Al and B2 NiAl
Theoretical Physics Department, Moscow Stt. Inst. Steel and Alloys, 4, Leninskii Prospect, Moscow 119049, Russian Federation.
Research Institute of Materials, Nijmegen University, 1 Toernooiveld, 6525 ED Nijmegen, Netherlands.
Theoretical Physics Department, Moscow Stt. Inst. Steel and Alloys, 4, Leninskii Prospect, Moscow 119049, Russian Federation.
Theoretical Physics Department, Moscow Stt. Inst. Steel and Alloys, 4, Leninskii Prospect, Moscow 119049, Russian Federation.
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2004 (English)In: Solid State Communications, ISSN 0038-1098, E-ISSN 1879-2766, Vol. 129, no 12, p. 809-814Article in journal (Refereed) Published
Abstract [en]

The phonon spectra and phonon density of states of the Ni3Al and NiAl intermetallic compounds are calculated from first principles using the linear response method in conjunction with ultrasoft pseudopotentials. The calculated phonon dispersion curves are in good agreement with available experimental results from inelastic neutron scattering. © 2003 Elsevier Ltd. All rights reserved.
Place, publisher, year, edition, pages
2004. Vol. 129, no 12, p. 809-814
Keywords [en]
A. Intermetallic compounds, D. Phonons
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:liu:diva-45801DOI: 10.1016/j.ssc.2003.11.018OAI: oai:DiVA.org:liu-45801DiVA, id: diva2:266697
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2024-01-08

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Abrikosov, Igor

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