标题： 通过扫描隧道显微镜和原子力显微镜联合探测拓扑绝缘体家族$\mathrm{Bi}_2\mathrm{Se}_3$体系边界处的电子结构 显示英文标题

标题： Probing the Electronic Structure at the Boundary of Topological Insulators in the $\mathrm{Bi}_2\mathrm{Se}_3$ Family by Combined STM and AFM

摘要： We develop a numerical scheme for the calculation of tunneling current $I$ and differential conductance $\mathsf{d}I/\mathsf{d}V$ of metal and CO-terminated STM tips on the topological insulators $\mathrm{Bi}_2\mathrm{Se}_3$, $\mathrm{Bi}_2\mathrm{Te}_2\mathrm{Se}$ and $\mathrm{Bi}_2\mathrm{Te}_3$ and find excellent agreement with experiment. The calculation is an application of Chen's derivative rule, whereby the Bloch functions are obtained from Wannier interpolated tight-binding Hamiltonians and maximally localized Wannier functions from first-principle DFT+$GW$ calculations. We observe signatures of the topological boundary modes, their hybridization with bulk bands, Van Hove singularities of the bulk bands and characterize the orbital character of these electronic modes using the high spatial resolution of STM and AFM. Bare DFT calculations are insufficient to explain the experimental data, which are instead accurately reproduced by many-body corrected $GW$ calculations. 显示英文摘要

摘要： We develop a numerical scheme for the calculation of tunneling current $I$ and differential conductance $\mathsf{d}I/\mathsf{d}V$ of metal and CO-terminated STM tips on the topological insulators $\mathrm{Bi}_2\mathrm{Se}_3$, $\mathrm{Bi}_2\mathrm{Te}_2\mathrm{Se}$ and $\mathrm{Bi}_2\mathrm{Te}_3$ and find excellent agreement with experiment. The calculation is an application of Chen's derivative rule, whereby the Bloch functions are obtained from Wannier interpolated tight-binding Hamiltonians and maximally localized Wannier functions from first-principle DFT+$GW$ calculations. We observe signatures of the topological boundary modes, their hybridization with bulk bands, Van Hove singularities of the bulk bands and characterize the orbital character of these electronic modes using the high spatial resolution of STM and AFM. Bare DFT calculations are insufficient to explain the experimental data, which are instead accurately reproduced by many-body corrected $GW$ calculations.