Relativistic Tight-Binding Model for Hexagonal Lattice: Application to Graphene

Authors

  • Rohin Sharma Department of Physics, Kathmandu University, Dhulikhel, Nepal
  • Dipendra Bahadur Hamal Department of Physics, Kathmandu University, Dhulikhel, Nepal
  • Kaustav Regmi Department of Physics, Kathmandu University, Dhulikhel, Nepal
  • Amit Shrestha Graduate School of Advanced Science of Matter, Hiroshima University, Higashi-Hiroshima 739-8527, Japan
  • Katsuhiko Higuchi Graduate School of Advanced Science of Matter, Hiroshima University, Higashi-Hiroshima 739-8527, Japan
  • Masahiko Higuchi Department of Physics, Faculty of Science, Shinshu University, Matsumoto, Nagano 390-8621, Japan

DOI:

https://doi.org/10.3126/jnphyssoc.v10i2.79466

Keywords:

MFRTB approximation method, TB method, Relativistic TB parameter

Abstract

A non-perturbative relativistic tight-binding (TB) approximation method applicable to crystalline material immersed in a magnetic field was developed and tested for crystalline silicon in 2015. To apply this method to any material in a magnetic field, the electronic structure of the material in absence of the magnetic field must be calculated. In this study, we present the relativistic TB approximation method for graphene in a zero magnetic field. The Hamiltonian and overlap matrices are constructed considering the nearest neighboring atomic interactions between the s and p valence orbitals, where the relativistic hopping and overlap integrals are calculated using the relativistic version of the Slater-Koster table. The method of constructing the Hamiltonian and overlap matrices and the resulting energy-band structure of graphene in the first Brillouin zone is presented in this paper. The appearance of a small band-gap at the k-points (also known as the spin-orbit gap) due to the relativistic effect seen at low temperature whose magnitude is 25 μeV , have also been shown by the theory.

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Published

2024-12-31

How to Cite

Sharma, R., Hamal, D. B., Regmi, K., Shrestha, A., Higuchi, K., & Higuchi, M. (2024). Relativistic Tight-Binding Model for Hexagonal Lattice: Application to Graphene. Journal of Nepal Physical Society, 10(2), 145–151. https://doi.org/10.3126/jnphyssoc.v10i2.79466

Issue

Vol. 10 No. 2 (2024)

Section

Articles

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