Static and Vibrational Properties of Lithium Alloys

Автор(ы) Aditya M. Vora
Принадлежность Humanities and Social Science Department, S.T.B.S. College of Diploma Engineering, Swami Atmanand Sarswati Vidya Sankul, Opp. Kapodara Police Station, Varachha Road, Surat 395 006, Gujarat, India
Е-mail voraam@yahoo.com
Выпуск Том 3, Год 2011, Номер 4
Даты Received 30 May 2011, in final form 29 August 2011, published online 30 December 2011
Ссылка Aditya M. Vora, J. Nano- Electron. Phys. 3 No4, 5 (2011)
DOI
PACS Number(s) 62.30. + d; 62.20. – x; 62.20.Dc; 63.50. + x
Ключевые слова Phonon dispersion curves (2) , Lithium alloys, Pseudopotential (15) , Local field correction function (2) .
Аннотация
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, С1244 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.

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