Density of States and Electronic Structure of InSb with QUANTUM ESPRESSO Computational Approach

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Atashbar Tehrani Shahin; Morshedian Nader

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Journal Paper

Paper Information

Journal: JOURNAL OF ADVANCED MATERIALS AND TECHNOLOGIES Year:2024 | Volume:13 | Issue:3 Page(s): 75-81

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Information Journal Paper

Title

Density of States and Electronic Structure of InSb with QUANTUM ESPRESSO Computational Approach

Author(s)

Atashbar Tehrani Shahin | Morshedian Nader | Issue Writer Certificate

Keywords

Total State Density

Partial Density of States

Band Structure

fermi level

Abstract

In this study, the electronic properties of indium antimony have been comprehensively investigated using density functional theory for InSb semiconductors. The total Density of States (DOS) and Partial Density of States (PDOS) were analyzed to evaluate the contribution of individual atomic orbitals in the atomic structure. In addition, the band structure and electron scattering properties of InSb were determined. The Fermi levels in this crystal were also identified, and the calculations revealed significant features of its electronic structure, thereby providing a theoretical basis for further experimental research and wider technological applications. The current research investigated the band structure and Fermi levels of InSb crystal. The band structure examination shows that the energy of the band gap is approximately 0.17 electron volts, which aligns closely with the measurements obtained from the Hall effect. These calculations were performed using Quantum Espresso software, the results of which exhibited good agreement with the experimental results.

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