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 ,
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.
