• K B Joshi

Articles written in Pramana – Journal of Physics

• Charge density of Ga$_{x}$Al$_{1-x}$Sb

Charge density calculations and electronic band structures for Ga$_{x}$Al$_{1-x}$Sb with $x = 1.0, 0.5$ and 0.0 are presented in this work. The calculations are performed using the empirical pseudopotential method. The charge density is computed for a number of planes, i.e. $z = 0:0, 0.125$ and $0.25 A_{0}$ by generating the potential through a number of potential parameters available in the literature. The virtual crystal approximation was applied for the semiconducting alloy. The characteristics of the band structure and charge density are observed to be affected by the potential parameters. Calculated band gaps and the nature of gaps are in good agreement with the experimental data reported. The ionicity is also reasonably in good agreement with other scales proposed in the literature; however the formulation needs to be improved. The present work also demands indirect experimental band gap for the alloy.

• Compton profile study of V3Ge and Cr3Ge

In this paper the results of a Compton profile study of two polycrystalline A15 compounds, namely, V3Ge and Cr3Ge, have been reported. The measurements have been performed using 59.54 keV 𝛾-rays from an 241Am source. The theoretical Compton profiles have been computed for both the compounds using ab-initio linear combination of atomic orbitals (LCAO) method employing CRYSTAL98. For both the A15 compounds, the isotropic experimental profiles are found to be in good overall agreement with the calculations. The comparison points out residual differences in V3Ge whereas for Cr3Ge the differences are within experimental error. The behaviour of valence electrons in the two iso-structural compounds has been examined on the scale of Fermi momentum. The valence electron distribution seems to be dominated by the metallic constituents rather than Ge and two compounds show covalent nature of bonding which is larger in V3Ge compared to Cr3Ge.

• # Pramana – Journal of Physics

Volume 96, 2022
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Posted on July 25, 2019

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