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Seminar: Band structure engineering of 2D materials: Insights from theory Dr. Elena Voloshina
Department of Physics, Shanghai University, P. R. China
21/09/2023/ at 11:00h
Online seminar @Institute of Physics


The emerging field of 2D materials provides the community with many exciting new opportunities in technical studies and in the expansion of nano- and atomic-level applications. However, these materi-als have some limitations and the development of new devices with desired properties and potential applications is closely related to the search for ways for the engineering of their band structures. In this talk, we present several examples of such controlled modifications, considering the potential ap-plications of selected 2D materials in electronic and spintronics.

Typically, the modification of the graphene band structure is aimed at inducing the desired novel properties in the graphene layer, while maintaining its extraordinary electrons mobility. In this con-text, interface effects between graphene and other materials have proven to be an efficient way for graphene band structure manipulation and theoretical calculations were shown to be effective for pre-dicting novel properties of the interfaces once compared to experiments. Here we present the results obtained for the graphene/Mn5Ge3 interface. According to the density functional theory calculations, graphene in this strongly interacting system demonstrates the large exchange splitting of the gra-phene-derived π band. In this case, only spin-up electrons in graphene preserve the Dirac-electron-like character in the vicinity of the Fermi level and the K point, whereas such behaviour is not detect-ed for the spin-down electrons.

Transition metal phosphorus trichalcogenides (MPX3, M: transition metal, P: phosphorus, X: chal-cogen) are layered materials in which the 2D layer contains transition metal atoms organized in a hon-eycomb lattice structure similar to that of graphene. The MPX3 monolayers are antiferromagnetic sem-iconductors. Several ways of controllable modification of electronic structure of MPX3 were proposed. The aim of these studies was transition from the insulating antiferromagnetic state to the halfmetallic ferromagnetic state. The obtained results served as a basis for the idea of “one-material”-based mag-netic tunnel junction, which eliminates all negative effects connected with the lattice mismatch and carrier scattering at the material interfaces, thus giving high potential for the application of such sys-tems in electronics and spintronics. 

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Meeting ID: 508 144 0931


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