Ab initio phonon calculations for L12 Ni3Al and B2 NiAlVisa övriga samt affilieringar
2004 (Engelska)Ingår i: Solid State Communications, ISSN 0038-1098, E-ISSN 1879-2766, Vol. 129, nr 12, s. 809-814Artikel i tidskrift (Refereegranskat) 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.
Ort, förlag, år, upplaga, sidor
2004. Vol. 129, nr 12, s. 809-814
Nyckelord [en]
A. Intermetallic compounds, D. Phonons
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Identifikatorer
URN: urn:nbn:se:liu:diva-45801DOI: 10.1016/j.ssc.2003.11.018OAI: oai:DiVA.org:liu-45801DiVA, id: diva2:266697
2009-10-112009-10-112024-01-08