Static and Vibrational Properties of Equiatomic Cesium-Alkali Binary Alloys
The computations of the static and vibrational properties of four equiatomic Cs-based binary alloys viz. Cs0.5Li0.5, Cs0.5Na0.5, Cs0.5K0.5 and Cs0.5Rb0.5 to second order in local model potential is discussed in terms of real-space sum of Born von Karman central force constants. The local field corre...
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| Main Author: | |
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| Format: | Article |
| Language: | English |
| Published: |
Sumy State University
2012-07-01
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| Series: | Журнал нано- та електронної фізики |
| Subjects: | |
| Online Access: | http://jnep.sumdu.edu.ua/download/numbers/2012/2/articles/jnep_2012_V4_02025.pdf |
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| Summary: | The computations of the static and vibrational properties of four equiatomic Cs-based binary alloys viz. Cs0.5Li0.5, Cs0.5Na0.5, Cs0.5K0.5 and Cs0.5Rb0.5 to second order in local model potential is discussed in terms of real-space sum of Born von Karman central force constants. The local field correlation functions due to Hartree (H), Ichimaru-Utsumi (IU) and Sarkar et al. (S) are used to investigate influence of the screening effects on the aforesaid properties. Results for the lattice constants, i.e. С11, С12, С44, С12 – С44, С12 / С44, and bulk modulus B obtained using the H-local field correction function, have higher values in comparison with the results obtained for the same properties using IU and S local field correction functions. The results for the Shear modulus (C), deviation from Cauchy’s relation, Poisson’s ratio , Young modulus Y, propagation velocity of elastic waves, phonon dispersion curves and degree of anisotropy A are highly appreciable for the four equiatomic Cs-based binary alloys. |
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| ISSN: | 2077-6772 |