Ab initio phonon calculations for Ll(2) Ni3Al and B2NiAl
SourceSolid State Communications, 129, 12, (2004), pp. 809-814
Article / Letter to editor
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Theory of Condensed Matter
Solid State Communications
SubjectTheory of Condensed Matter
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. (C) 2003 Elsevier Ltd. All rights reserved.
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