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Interlayer dislocations in multilayer and bulk MoS${}_2$

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arxiv 2409.12030 v1 pith:OD6STX64 submitted 2024-09-18 cond-mat.mes-hall cond-mat.mtrl-sci

classification cond-mat.mes-hallcond-mat.mtrl-sci
keywords bulkdislocationsanalysecrystaldislocationenergyfieldinterlayer
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abstract

Dislocations in van der Waals materials are linear defects confined to the interfaces between consecutive stoichiometric monolayers of a bulk layered crystal. Here, we present a mesoscale model for the description of interlayer dislocations in thin films of transition metal dichalcogenides. Taking 2H-MoS${}_2$ as a representative material, we compute the dependence of the dislocation energy on the film thickness, from few-layer MoS$_2$ to the bulk crystal, and analyse the strain field in the layers surrounding a dislocation. We also analyse the influence of strain field on the band edge profiles for electrons and holes, and conclude that the resulting energy profiles are incapable of localising charge carriers, in particular at room temperature.

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