Title of article
Ab initio phonon calculations for L12 Ni3Al and B2 NiAl
Author/Authors
Isaev، نويسنده , , E.I. and Lichtenstein، نويسنده , , A.I. and Vekilov، نويسنده , , Yu.Kh. and Smirnova، نويسنده , , E.A. and Abrikosov، نويسنده , , I.A. and Simak، نويسنده , , S.I. and Ahuja، نويسنده , , R. O. Johansson، نويسنده , , B.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2004
Pages
6
From page
809
To page
814
Abstract
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.
Keywords
D. phonons , A. Intermetallic compounds
Journal title
Solid State Communications
Serial Year
2004
Journal title
Solid State Communications
Record number
1788776
Link To Document