Ab initio phonon calculations for L12 Ni3Al and B2 NiAl
2004 (English)In: Solid State Communications, ISSN 0038-1098, Vol. 129, no 12, 809-814 p.Article in journal (Refereed) Published
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, 809-814 p.
A. Intermetallic compounds, D. Phonons
Engineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-45801DOI: 10.1016/j.ssc.2003.11.018OAI: oai:DiVA.org:liu-45801DiVA: diva2:266697