Study on Electronic Properties of α-Uranium using Ab-initio Approach

Authors

  • Aditya M. Vora Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380 009, Gujarat, India

DOI:

https://doi.org/10.3126/bibechana.v19i1-2.46838

Keywords:

DFT, Electronic properties, Generalized Gradient Approximation (GGA), PAW pseudopotential

Abstract

In the present work, a density functional theory (DFT) based simulation is performed to study the electronic properties of (-uranium through the electronic band structure, total electron density of states (DOS), integrated density of states (IDOS), partial density of states (PDOS) and Fermi-surface measurements. A Generalized Gradient Approximation (GGA) with Projector-Augmented Wave (PAW) pseudopotential is used in present computation. The hybridization between the 5f orbital and 6d orbital also has fairly influences on the electronic Properties of α-Uranium.

BIBECHANA 19 (2022) 208-213

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Published

2022-07-28

How to Cite

Vora, A. M. (2022). Study on Electronic Properties of α-Uranium using Ab-initio Approach. BIBECHANA, 19(1-2), 208–213. https://doi.org/10.3126/bibechana.v19i1-2.46838

Issue

Section

Research Article