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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.
Vise andre og tillknytning
2004 (engelsk)Inngår i: Solid State Communications, ISSN 0038-1098, E-ISSN 1879-2766, Vol. 129, nr 12, s. 809-814Artikkel i tidsskrift (Fagfellevurdert) 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.
sted, utgiver, år, opplag, sider
2004. Vol. 129, nr 12, s. 809-814
Emneord [en]
A. Intermetallic compounds, D. Phonons
HSV kategori
Identifikatorer
URN: urn:nbn:se:liu:diva-45801DOI: 10.1016/j.ssc.2003.11.018OAI: oai:DiVA.org:liu-45801DiVA, id: diva2:266697
Tilgjengelig fra: 2009-10-11 Laget: 2009-10-11 Sist oppdatert: 2024-01-08

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