ELECTRONIC AND MAGNETIC PROPERTIES OF MONOLAYERWS2DOPED WITHMnXm (m = 0, 3, 6; =N,O,F)

Jiaren Yuan (), Xiaohong Yan (), Changjie Dai, Yang Xiao and Yandong Guo
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Jiaren Yuan: College of Science, Nanjing University of Aeronautics and Astronautics, 29 Yudao Street, Nanjing, Jiangsu 210016, P. R. China
Xiaohong Yan: College of Science, Nanjing University of Aeronautics and Astronautics, 29 Yudao Street, Nanjing, Jiangsu 210016, P. R. China;
Changjie Dai: College of Science, Nanjing University of Aeronautics and Astronautics, 29 Yudao Street, Nanjing, Jiangsu 210016, P. R. China
Yang Xiao: College of Science, Nanjing University of Aeronautics and Astronautics, 29 Yudao Street, Nanjing, Jiangsu 210016, P. R. China
Yandong Guo: College of Electronic Science and Engineering, Nanjing University of Posts and Telecommunications, 9 Wenyuan Road, Yadong New District Nanjing, Jiangsu 210046, P. R. China;

Surface Review and Letters (SRL), 2015, vol. 22, issue 06, 1-10

Abstract: The structural, electronic and magnetic properties of monolayerWS2doped with singleMnatom,MnX3andMnX6clusters (X=N,OandF) are investigated using first principles approach. MonolayerWS2doped with singleMnatom displays a spin gapless semiconducting character.WS2embedded withMnX3andMnX6presents rich electronic and magnetic properties. For example, monolayerWS2incorporated withMnF3exhibits a half-metallic nature. The substitutions of impurities introduce magnetism exceptMnN3. The calculation results demonstrate that monolayerWS2is a promising material for spintronic device when doped withMnXm.

Keywords: Doped monolayerWS2; electronic properties; magnetic properties (search for similar items in EconPapers)
Date: 2015
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DOI: 10.1142/S0218625X15500717

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