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- Title
PHONON DISPERSION IN EQUIATOMIC BINARY ALLOYS.
- Authors
Vora, Aditya M.
- Abstract
The computations of the phonon dispersion curves (PDC) of four equiatomic K based binary alloys viz. K0.5Li0.5, K0.5Na0.5, K0.5Rb0.5 and K0.5Cs0.5 to second order in local model potential is discussed in terms of real-space sum of Born von Karman central force constants. Instead of the concentration average of the force constants of metallic Li, Na, K, Rb and Cs, the pseudo-alloy-atom (PAA) is adopted to compute directly the force constants of four equiatomic K-based binary alloys. The exchange and correlation functions due to Hartree (H) and Ichimaru-Utsumi (IU) are used to investigate influence of screening effects. The phonon frequencies of four equiatomic K-based binary alloys in the longitudinal branch are more sensitive to the exchange and correlation effects in comparison with the transverse branches. While, the frequencies in the longitudinal branch are suppressed due to IU-screening function than the frequencies due to static H-screening function.
- Subjects
PHONONS; BINARY metallic systems; ATOMIC units; ALKALI metals; LATTICE dynamics; PSEUDOPOTENTIAL method; ALLOYS; DISPERSION (Chemistry); METALLIC composites
- Publication
Digest Journal of Nanomaterials & Biostructures (DJNB), 2009, Vol 4, Issue 1, p113
- ISSN
1842-3582
- Publication type
Article