Graphene and Graphene like 2D materials and their allotropes are atomically thick materials or near atomically thick material in the case of some allotropes such as beta or alpha structures. These materials exhibit an exceptional behavior in their band structure near extremum points of conduction and valence bands called Dirac points and in their electrical properties. This work is focused on the effect of the spin-orbit interaction (SOI) on the band structure (BS) and the electrical and the thermal transport properties for three 2D materials Graphene, flat and buckled sheets of Antimony. This theoretical study is based on the DFT(DFT), and Boltzmann transport equation (BTE) is implemented respectively in Quantum Espresso (QE) and BoltzTrap (BT) software packages.
Brahim Aouani, N. B., & Alrabie, L. S. (2021). Spin -Orbit Coupling Effect for Graphene, Flat Antimonene and Beta Antimonene. 2021 International Conference of Women in Data Science at Taif University (WiDSTaif ). doi:10.1109/widstaif52235.2021.9430243
The numerical calculations are realized by the supercomputer of the Supercomputing Laboratory at King Abdullah University of Science & Technology (KAUST) in Thuwal, Saudi Arabia. We warmly thank the whole team.