Abstract

Magnetic tunnel junctions (MTJs) composed of different two-dimensional (2D) materials are promising for spin-valve applications. However, as the number of material combinations grows, guiding principles for heterostructure composition-property relationships become very desirable. The authors use first-principles calculations to provide design guidelines for spin-dependent transport in MTJs, based on the bulk properties of the constituent 2D materials, and find that low-work-function electrodes enable greater performance with CrI${}_{3}$ channels. This data-driven scheme offers a fast, systematic method to accelerate the design of spintronic devices based on 2D materials.

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