論文

査読有り
2018年3月1日

Electronic states in single-layer molybdenum disulfide substitutional-doped chromium atoms with 2H, it and distorted-it phase structure

Technology Reports of Kansai University
  • Syuta Honda
  • ,
  • Naoki Yokoyama

担当区分
筆頭著者, 責任著者
2018-March
開始ページ
7
終了ページ
13

© 2018 Kansai University. All rights reserved. Single-layer molybdenum disulfide, which is expected to be used in electronics devices base on two-dimensional materials, is a direct bandgap semiconductor with a bandgap of 1.8 eV. A single layer of molybdenum disulfide substitutional-doped chromium atoms (CMo!) with 2H-phase is also a direct bandgap semiconductor. Its own bandgap decreases as the number of chromium atoms increases. We investigated the electronic structure of CrMoi- in the IT and distorted-lT phases by means of the first-principle calculation. We found that Cr.Mo! w'th lT-phase changes to a semimetal, metal, and a semiconductor as the doping concentration of chromium atoms changes. CrMoi- in the distorted-lT phase is a semiconductor with an indirect small bandgap of about 0.1 eV.

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https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85049471819&origin=inward

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