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arXiv 2205.07501cond-mat.mes-hall
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反铁磁MnBi $_2$ Te $_4$拓扑态能隙的影响因素

Factors influencing the energy gap in topological states of antiferromagnetic MnBi$_2$Te$_4$

A. M. Shikin, T. P. Makarova, A. V. Eryzhenkov, D. Yu. Usachov, D. A. Estyunin, D. A. Glazkova, I. I. Klimovskikh, A. G. Rybkin, A. V. Tarasov

摘要:

实验测得的角分辨光电子能谱色散图MnBi $_{2}$ Te $_{4}$样品,其中显示不同的能隙在狄拉克点(DP),与理论计算的结果进行比较,找到理论和实验之间的最佳协议的条件。我们分析了影响狄拉克能隙宽度的不同因素:(i)第一和第二个七重层(SL)之间的表面范德华(SvdW)距离,(ii)Mn原子上的磁矩,(iii)表面Te和Bi原子的自旋轨道耦合(SOC)强度以及拓扑表面态(TSS)局域化的相关变化。结果表明,在5 ~ $\sim$ 90~meV的宽范围内,所有这些因素都可以改变DP处的能隙宽度。我们表明,狄拉克间隙的变化主要是由相应的变化在TSS的空间分布。给出的实验数据(狄拉克能隙在$\sim$ 15 ~ 55 meV之间)与计算结果之间的最佳一致性发生在略微压缩的SvdW间隔(与体值相比约为-3.5~\%),其中表面原子的SOC被修改(这可能发生在近表面区域存在各种缺陷的情况下)。我们发现,在改变SvdW间隔和表面SOC强度的值的TSS的空间分布之间的SL与相反的磁化,这导致狄拉克间隙的大小的非单调变化的变化。

英文摘要:

The experimentally measured angle-resolved photoemission dispersion maps for MnBi$_{2}$Te$_{4}$ samples, which show different energy gaps at the Dirac point (DP), are compared with the results of theoretical calculations to find the conditions for the best agreement between theory and experiment. We have analyzed different factors which influence the Dirac gap width: (i) the surface van der Waals (SvdW) distance between the first and second septuple layers (SLs), (ii) the magnetic moment on Mn atoms, (iii) the spin-orbit coupling (SOC) strength for the surface Te and Bi atoms and related changes in the localization of the topological surface states (TSSs). It was shown that all these factors may change the gap width at the DP in a wide range from 5 to $\sim$90~meV. We show that the Dirac gap variation is mainly determined by the corresponding changes in the TSSs spatial distribution. The best agreement between the presented experimental data (with the Dirac gaps between $\sim$15 and 55~meV) and the calculations takes place for a slightly compressed SvdW interval (of about -3.5~\% compared to the bulk value) with modified SOC for surface atoms (that can occur in the presence of various defects in the near-surface region). We show that upon changing the values of the SvdW interval and surface SOC strength the TSSs spatial distribution shifts between the SLs with opposite magnetizations, which leads to a non-monotonic change in the Dirac gap size.

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