Spin‐Transport through Van der Waals Heterojunctions Based on 2D‐Ferromagnet and Transition Metal Dichalcogenides: A Study from First‐Principles Calculations

Abstract

Recently reported 2D ferromagnets show tremendous potential for their application in low‐dimensional spintronic devices. Semiconductor heterostructure consisting of 2D ferromagnet integrated with other suitable 2D semiconducting materials may pave the way for designing robust and sophisticated spin‐transport devices within a few nanometer scales. In this regard, a detailed understanding of the interface properties of 2D ferromagnetic materials and other 2D semiconductors is highly essential. Herein, the interface properties in the heterostructure made‐up of CrX3 (X = Cl, Br, and I) monolayer and transition‐metal dichalcogenides (TMDC; MoS2, MoSe2, and WS2) monolayer, using first‐principle calculations are systematically studied. This study predicts that a robust spin‐dependent barrier originated at the CrX3/TMDC interface. It can lead to a significantly large spin‐filtering at the interface while spin‐transport through this heterojunction, which will be highly beneficial for spintronic devices applications. Further, detailed spin‐dependent transport studies carried out through Co/CrI3/TMDC/CrI3/Co magnetic heterojunctions and substantial tunnel magnetoresistance up to 590%, estimated for these systems.

Theoretical studies on electronic, magnetic and optical properties of two dimensional transition metal trihalides

“…The figure of merit (defined as TMR) of the systems is evaluated as the resistance difference between adjacent parallel and anti-parallel states of ferromagnets. Several studies have reported high TMR values for graphite/CrI 3 /graphite junctions [34,[156][157][158]. Large TMR is observed at low temperatures and at higher bias voltage [34], which is opposite in nature than the conventional magnetic tunnel junctions.…”