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Static and Vibrational Properties of Lithium Alloys

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Author(s): Aditya M. Vora

Journal: Journal of Nano- and Electronic Physics
ISSN 2077-6772

Volume: 3;
Issue: 4;
Start page: 5;
Date: 2011;
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Keywords: Phonon dispersion curves | Lithium alloys | Pseudopotential | Local field correction function.

ABSTRACT
The computations of the static and vibrational properties of four equiatomic lithium alloys viz. Li0.5Na0.5, Li0.5K0.5, Li0.5Rb0.5 and Li0.5Cs0.5 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 Å obtained using the Hartree (H) local field correction function has higher values in comparison with the results obtained for the same properties using Ichimaru-Utsumi (IU) and Sarkar et al. (S) local field correction functions. The results for the Shear modulus (С′), deviation from Cauchy’s relation, Poisson’s ratio σ, Young modulus Y, propagation velocity of elastic waves, phonon dispel-rsion curves and degree of anisotropy A are highly appreciable for the four lithium alloys.

Tango Jona
Tangokurs Rapperswil-Jona

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