Title

Joined edges in MoS2: metallic and half-metallic wires

Authors

Authors

D. Le;T. S. Rahman

Comments

Authors: contact us about adding a copy of your work at STARS@ucf.edu

Abbreviated Journal Title

J. Phys. Chem. C

Keywords

SINGLE-LAYER MOS2; AUGMENTED-WAVE METHOD; GRAIN-BOUNDARIES; MONOLAYER; MOS2; LARGE-AREA; VALLEY POLARIZATION; ATOMIC LAYERS; TRANSISTORS; GROWTH; Physics, Condensed Matter

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 x 1) reconstruction.

Journal Title

Journal of Physics-Condensed Matter

Volume

J. Phys.-Condes. Matter

Issue/Number

31

Publication Date

1-1-2013

Document Type

Article

DOI Link

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

Language

English

First Page

5

WOS Identifier

25

ISSN

0953-8984

Recommended Citation

"Joined edges in MoS2: metallic and half-metallic wires" (2013). Faculty Bibliography 2010s. 4268.
https://stars.library.ucf.edu/facultybib2010/4268