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- W4224871339 abstract "A non-perturbative relativistic tight-binding (TB) approximation method applicable to crystalline material immersed in a magnetic field was developed in 2015. To apply this method to any material in the magnetic field, the electronic structure of the material in absence of a 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 matrix is constructed considering the nearest neighbouring 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 matrix and the resulting energy-band structure of graphene in the first Brillouin zone is presented in this paper. It is found that there is an appearance of a small band-gap at the $textbf{K}$ points (also known as the spin-orbit gap) due to the relativistic effect, whose magnitude is $25$ $mu$eV." @default.
- W4224871339 created "2022-04-27" @default.
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- W4224871339 date "2022-04-14" @default.
- W4224871339 modified "2023-09-24" @default.
- W4224871339 title "Electronic Structure Calculation of Graphene by Formulating a Relativistic Tight-Binding Model" @default.
- W4224871339 doi "https://doi.org/10.48550/arxiv.2204.06836" @default.
- W4224871339 hasPublicationYear "2022" @default.
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