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Total Crystal Energy and Equation of States for Alkaline Earth Metal Using Pseudopotential Approach

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Total Crystal Energy and Equation of States for Alkaline Earth Metal Using Pseudopotential Approach


P. H. Suthar



P. H. Suthar "Total Crystal Energy and Equation of States for Alkaline Earth Metal Using Pseudopotential Approach" Published in International Journal of Trend in Scientific Research and Development (ijtsrd), ISSN: 2456-6470, Volume-8 | Issue-3, June 2024, pp.850-857, URL: https://www.ijtsrd.com/papers/ijtsrd65008.pdf

In the present paper our well-established model potential describing electron-ion interaction is for alkaline earth metals Ca, Sr and Ba explores to study total energy and equation of states (EOS). The main features of present model potential are single parametric, continues in r-space and weaker within core and Columbic outside the core. The parameter of potential is determined using the equilibrium condition at zero pressure. The total energy, energy-volume (E-V) and pressure-volume (P-V) relation of Ca, Sr and Ba alkaline earth metals are computed using a higher order perturbation theory based on pseudopotential formalism. Numerical values of total energy obtained are found superior than the other theoretical findings. Good agreement is achieved between the presently calculated results of P-V diagram with experimental and other available data found in the literature, confirming the applicability of model potential for such a study. To introduce screening effect different forms of exchange and correlation function are also used.

Bulk Metallic Glass, Pseudopotential, Local field correction function, Collective modes, elastic properties


IJTSRD65008
Volume-8 | Issue-3, June 2024
850-857
IJTSRD | www.ijtsrd.com | E-ISSN 2456-6470
Copyright © 2019 by author(s) and International Journal of Trend in Scientific Research and Development Journal. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (CC BY 4.0) (http://creativecommons.org/licenses/by/4.0)

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