Research Paper: Calculation of Electronic Structure and Energy band of InP in Nanowire and Bulk and Using Pseudopotential

Document Type : Research Paper

Authors

1 Associate Professor, Department of physics, Faculty of Science, Shahid Chamran University of Ahvaz, Ahvaz, Iran

2 M. Sc. Graduated, Department of physics, Faculty of Science, Shahid Chamran University of Ahvaz, Ahvaz, Iran

Abstract

In this paper, electronic and structural properties such as lattice constant, energy band structure, and density of states of InP in bulk and nanowire are calculated. The calculations have been performed using the Pseudopotential method in the framework of density functional theory (DFT) with local density approximation (LDA), and generalized gradient approximation (GGA) by Quantum Espresso package. The results show a direct bandgap of 1.4 eV at the Γ point in the Brillouin zone and have not cut the Fermi level, with a good agreement with the available experimental results. Also, band structure in nanowires of about 1.49 eV was calculated, which shows an increased bulk state. The calculated results show good agreement with the available experimental results.

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References

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History

  • Receive Date: 03 December 2020
  • Revise Date: 29 April 2021
  • Accept Date: 14 June 2022

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