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Role of Buffer Layer and Building Unit in the Monolayer CrI3 Growth: A First-Principles Perspective
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unpublished
CrI 3 , a two-dimensional layered material, has recently attracted a lot of research interest due to its exotic magnetic property. However, the synthesis of a CrI 3 monolayer (ML) by vapor-phase deposition has not been achieved by current experimental endeavors, which require a better understanding of the vapor-phase growth mechanism involved. In this study, we theoretically simulate the growth of the CrI 3 ML on the Si(111) surface by using a first-principles calculation. Our key finding is
doi:10.1021/acs.jpclett.0c02717.s001
fatcat:5b5ictzfizfufbt2n6hse2s4ky