Journal of Advanced Materials and Technologies

Journal of Advanced Materials and Technologies

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

Document Type : Original Reaearch Article

Authors
Shahin Atashbar Tehrani 1, 2
Nader Morshedian 3
1 Assistant Professor, School of Particles and Accelerators, Institute for Research in Fundamental Sciences (IPM), P.O.Box 19395-5531, Tehran, Iran.
2 Assistant Professor, Department of Physics, Faculty of Nano and Bio Science and Technology, Persian Gulf University, P.O. Box: 75169, Bushehr, Iran.
3 Assistant Professor, Plasma and Nuclear Fusion Research School, Nuclear Science and Technology Research Institute, Tehran, Iran.
10.30501/jamt.2025.485779.1309
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.
Keywords
Total State Density
Partial Density of States
Band Structure
Fermi Level

Subjects

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Journal of Advanced Materials and Technologies
Volume 13, Issue 3
Summer 2024
Pages 75-81

  • Receive Date 06 November 2024
  • Revise Date 28 December 2024
  • Accept Date 11 January 2025