Recently, the EuS/InAs interface has attracted attention for the possibility of inducing magnetic exchange correlations in a strong spin-orbit semiconductor, which could be useful for topological quantum devices. We use density functional theory with a machine-learned Hubbard $U$ correction [Yu et al., npj Comput. Mater. 6, 180 (2020)] to elucidate the effect of the bonding configuration at the interface on the electronic structure. For all interface configurations considered here, we find that the EuS valence band maximum (VBM) lies below the InAs VBM. In addition, dispersed states emerge at the top of the InAs VBM at the interface, which do not exist in either material separately. These states are contributed mainly by the InAs layer adjacent to the interface. They are localized at the interface and may be attributed to charge transfer from the EuS to the InAs. The interface configuration affects the position of the EuS VBM with respect to the InAs VBM, as well as the dispersion of the interface states. For all interface configurations studied here, the induced magnetic moment in the InAs is small. Our results suggest that this interface, in its coherent form studied here, may not be promising for inducing equilibrium magnetic properties in InAs.

中文翻译：

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EuS/InAs 界面的电子结构依赖于键合配置

最近，EuS/InAs 界面因其在强自旋轨道半导体中诱导磁交换相关性的可能性而受到关注，这可能对拓扑量子器件有用。我们将密度泛函理论与机器学习的 Hubbard 结合使用$你$更正 [Yu et al. , npj 计算。母校。 6, 180 (2020)] 阐明界面处的键合配置对电子结构的影响。对于此处考虑的所有接口配置，我们发现 EuS 价带最大值 (VBM) 位于 InAs VBM 下方。此外，界面处 InAs VBM 顶部出现分散态，这两种材料均不单独存在。这些状态主要由与界面相邻的 InAs 层贡献。它们位于界面处，可能归因于从 EuS 到 InAs 的电荷转移。界面配置影响 EuS VBM 相对于 InAs VBM 的位置，以及界面态的分散。对于此处研究的所有界面配置，InAs 中的感应磁矩很小。我们的结果表明，这个界面，