Local symmetry-driven interfacial magnetization and electronic states in (ZnO)/(w-FeO) superlattices.

Phys Chem Chem Phys

Engineering Research Center of Micro-nano Optoelectronic Materials and Devices, Ministry of Education, Fujian Key Laboratory of Semiconductor Materials and Applications, CI Center for OSED, and Department of Physics, Xiamen University, Xiamen 361005, China.

Published: April 2024

Superlattices constructed with the wide-band-gap semiconductor ZnO and magnetic oxide FeO, both in the wurtzite structure, have been investigated using spin-polarized first-principles calculations. The structural, electronic and magnetic properties of the (ZnO)/(w-FeO) superlattices were studied in great detail. Two different interfaces in the (ZnO)/(w-FeO) superlattices were identified and they showed very different magnetic and electronic properties. Local symmetry-driven interfacial magnetization and electronic states can arise from different Fe/Zn distributions at different interfaces or spin ordering of Fe in the superlattice. The local symmetry-driven interfacial magnetization and electronic states, originating either from different Fe/Zn distribution across interfaces I and II, or by spin ordering of Fe in the superlattice, can be identified. It was also found that, in the case of the ferromagnetic phase, the electrons are more delocalized for the majority spin but strongly localized for the minority spin, which resulted in interesting spin-dependent transport properties. Our results will pave the way for designing novel spin-dependent electronic devices through the construction of superlattices from semiconductors and multiferroics.

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Source
http://dx.doi.org/10.1039/d4cp00481gDOI Listing

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