Issue 26, 2019, Issue in Progress

Interface depended electronic and magnetic properties of vertical CrI3/WSe2 heterostructures

Abstract

Owing to the great potential applications in information processing and storage, two-dimensional (2D) magnetic materials have recently attracted significant attention. Here, using first-principles calculations, we investigate the electronic and magnetic properties of the van der Waals CrI3/WSe2 heterostructures. We find that after forming heterostructures, monolayer CrI3 undergoes a direct to indirect band gap transition and its gap size is greatly reduced. In particular, the out-plane spin quantization axis of monolayer CrI3 is tuned into in-plane for most stacking configurations of CrI3/WSe2. We further reveal that the transition of the easy magnetization direction is mainly originated from the hybridization between Cr-d and Se-p orbitals. These theoretical results provide a useful picture for the electronic structure and magnetic anisotropy behaviors in vertical CrI3/WSe2 heterostructures.

Graphical abstract: Interface depended electronic and magnetic properties of vertical CrI3/WSe2 heterostructures

Article information

Article type
Paper
Submitted
11 Mar 2019
Accepted
07 May 2019
First published
14 May 2019
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2019,9, 14766-14771

Interface depended electronic and magnetic properties of vertical CrI3/WSe2 heterostructures

M. Ge, Y. Su, H. Wang, G. Yang and J. Zhang, RSC Adv., 2019, 9, 14766 DOI: 10.1039/C9RA01825E

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