Dependence of the electronic structure of the EuS/InAs interface on the bonding configuration Article Swipe
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· 2021
· Open Access
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· DOI: https://doi.org/10.1103/physrevmaterials.5.064606
· OA: W3152080494
Recently, the EuS/InAs interface has attracted attention for the possibility\nof inducing magnetic exchange correlations in a strong spin-orbit\nsemiconductor, which could be useful for topological quantum devices. We use\ndensity functional theory (DFT) with a machine-learned Hubbard $U$ correction\n[npj Comput. Mater. 6, 180 (2020)] to elucidate the effect of the bonding\nconfiguration at the interface on the electronic structure. For all interface\nconfigurations considered here, we find that the EuS valence band maximum (VBM)\nlies below the InAs VBM. In addition, dispersed states emerge at the top of the\nInAs VBM at the interface, which do not exist in either material separately.\nThese states are contributed mainly by the InAs layer adjacent to the\ninterface. They are localized at the interface and may be attributed to charge\ntransfer from the EuS to the InAs. The interface configuration affects the\nposition of the EuS VBM with respect to the InAs VBM, as well as the dispersion\nof the interface state. For all interface configurations studied here, the\ninduced magnetic moment in the InAs is small. This suggests that this\ninterface, in its coherent form studied here, is not promising for inducing\nequilibrium magnetic properties in InAs.\n
