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Title
Investigation of electronic and topological properties of S/Bi-terminated short stanene nanoribbons: A DFT study
Type of Research Article
Keywords
Band structures Edge states Berry curvature Spin Short stanene nanoribbons DFT
Abstract
This study aimed to explore the electronic and topological properties of nanoribbons as a highly applicable nano- scale material. By using the first principle calculations of density functional theory (DFT), we examined the electronic properties with and without spin-polarization for Sulfur (-S) and Bismuth (Bi) terminated of short stanene nanoribbons (SStNRs) which have armchair edges along the zigzag configuration of nanoribbons. Spin- orbit coupling (SOC), vertical electrical fields and percentages of strain were used to study different electronic parameters on the short nanoribbon systems. In addition, topological properties (Berry curvature, chern number and Z2 invariant) were obtained to investigate the edge and bulk states of the nanoribbons. Edge states were studied by band theory by the conduction band minimum (CBM), valence band maximum (VBM) and frontier molecular orbital theory using the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO). Investigation of spin-dependence for S-SStNR showed that there was no spin- dependence for S-SStNR while by presence of SOC, spin-dependence was observed in distribution of HOMO- LUMO orbitals.
Researchers (First Researcher)، Jaber Jahanbin Sardroodi (Second Researcher)، Alireza Rastkar Ebrahim Zadeh (Third Researcher)