Local modes of Fe and Co atoms in NiAl intermetallics
- Institute of Nuclear Physics, Polish Academy of Sciences, ul.Radzikowskiego 152, 31-342 Cracow (Poland)
Using nuclear inelastic scattering of synchrotron radiation and inelastic neutron scattering we have investigated the vibrational properties of Fe and Co impurities in NiAl intermetallics, and compared them with the density functional theory calculations. The Fe phonon spectra show two sharp peaks appearing in the frequency gap between the Ni and Al phonon bands, and originating from the local modes of Fe residing in Ni, or Al sublattices. Co, which replaces Ni, vibrates within a narrow frequency interval occurring close to the upper edge, but still within the Ni phonon band. The ab initio calculations show that these effects are expected when impurity-host force constants differ from host-host force constants causing a dynamic mismatch between guest and host vibrations.
- OSTI ID:
- 20662272
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 70, Issue 22; Other Information: DOI: 10.1103/PhysRevB.70.224304; (c) 2004 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
Similar Records
Electronic structure and vibrational entropies of fcc Au-Fe alloys
Phonon densities of states and vibrational entropies of ordered and disordered Ni{sub 3}Al