Structure factors and phonon dispersion in liquid Li0.61Na0.39 alloy

Pramana

Kirit N Lad²  K G Raval¹  Arun Pratap1² 

[1] Electronics Department, Narmada College of Science and Commerce, Bharuch 392 011, India$$;Condensed Matter Physics Laboratory, Applied Physics Department, Faculty of Technology and Engineering, M.S. University of Baroda, Vadodara 390 001, India$$

关键词: Dispersion curves;    zero alloy;    Born–Mayer core.;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

The phonon spectra for liquid Li and Na have been computed through the phenomenological model of Bhatia and Singh for disordered systems like liquids and glasses and the obtained results have been compared with the available data obtained by inelastic neutron scattering (INS) and inelastic X-ray scattering (IXS) experiments. The effective pair potentials and their space derivatives are important ingredients in the computation of the dispersion curves. The pair potentials are obtained using the pseudo-potential theory. The empty core model proposed by Ashcroft is widely used for pseudo-potential calculations for alkali metals. But, it is thought to be unsuitable for Li because of its simple 1s electronic structure. However, it can be used with an additional term known as Born–Mayer (BM) core term. The influence of the BM core term on the phonon dispersion is discussed. The same pseudo-potential formalism has been employed to obtain the dispersion relation in liquid Li0.61Na0.39 alloy. Apart from the phonon spectra, the Ashcroft–Langreth structure factors in the alloy are derived in the Percus–Yevick approximation.

【 授权许可】

Unknown