| 研究実績の概要 |
The drawbacks of graphene stimulate scientists to investigate novel 2D materials beyond graphene. Germanene and stanene have various fascinating properties, such as the Dirac-cone, ultrahigh carrier mobility, and the quantum spin Hall effect (QSHE). While they have been synthesized on several substrates in experiment, there is still a lack of suitable substrates to preserve the attractive Dirac-cone and QSHE. By combining DFT with materials informatics, we have found several suitable substrates for germanene and stanene from more than 185, 000 entries in the database. The interaction between the substrate and the target 2D materials is equivalent to pseudoelectric field, as revealed by our model analysis. (Physical Review B, 96, 075427) Furthermore, we are implementing a machine learning approach to provide accurate and fast simulation of the deposition procedure of 2D materials.
In addition to the original plan, we also put our eyes on WTe2, a member of transition metal dichalcogenides (TMDs) family. It has been a rising star in 2D materials due to the exotic non-saturating magnetoresistance (MR) and the possible type-II Weyl cone. However, the study about the surface relaxation and surface electronic structure is insufficient in WTe2, especially for few layer slabs. To solve the problems, we have investigated the accurate surface relaxation and mechanically tunable electronic structure in few-layer WTe2 (Applied Physics Express, 10, 045702; ACS Nano, 11, 11459). The research about the mechanically tunable surface dipole found in few-layer WTe2 is in preparation.
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