Title

Joined Edges In Mos2: Metallic And Half-Metallic Wires

Abstract

We present the results of first-principles electronic structure investigations, using spin-polarized density-functional-theory, of the electronic and geometric structures of the joined edges formed between two domains of single-layer MoS2. We find joined-edge defects to be metallic or half-metallic wires in the considered models. More interestingly, we find the signature of magnetism in the joined-edge defect formed between two Mo-terminated (1010) edges. Analysis of the geometric structure leads us to the conclusion that certain joined-edge defects undergo (2 × 1) reconstruction. © 2013 IOP Publishing Ltd.

Publication Date

8-7-2013

Publication Title

Journal of Physics Condensed Matter

Volume

25

Issue

31

Number of Pages

-

Document Type

Article

Personal Identifier

scopus

DOI Link

https://doi.org/10.1088/0953-8984/25/31/312201

Socpus ID

84880645878 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/84880645878

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