Change search
ReferencesLink to record
Permanent link

Direct link
Ab initio phonon calculations for Ll(2) Ni3Al and B2NiAl
Show others and affiliations
2004 (English)In: Solid State Communications, ISSN 0038-1098, E-ISSN 1879-2766, Vol. 129, no 12, 809-814 p.Article 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.

Place, publisher, year, edition, pages
2004. Vol. 129, no 12, 809-814 p.
Keyword [en]
intermetallic compounds, phonons, lattice-dynamics, electronic-structure, neutron-scattering, martensitic-transformation, thermodynamic properties, abinitio, calculation, thermal-properties, force-constants, nial alloys, al
National Category
Engineering and Technology
URN: urn:nbn:se:kth:diva-23222DOI: 10.1016/j.ssc.2003.11.018ISI: 000189377700011ScopusID: 2-s2.0-1142268105OAI: diva2:341920
QC 20100525 QC 20111031Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2011-10-31Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Search in DiVA

By author/editor
Ahuja, RajeevJohansson, Börje
By organisation
Materials Science and Engineering
In the same journal
Solid State Communications
Engineering and Technology

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 29 hits
ReferencesLink to record
Permanent link

Direct link