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Title: Reconfiguring crystal and electronic structures of MoS 2 by substitutional doping

Doping of traditional semiconductors has enabled technological applications in modern electronics by tailoring their chemical, optical and electronic properties. However, substitutional doping in two-dimensional semiconductors is at a comparatively early stage, and the resultant effects are less explored. In this work, we report unusual effects of degenerate doping with Nb on structural, electronic and optical characteristics of MoS 2 crystals. The doping readily induces a structural transformation from naturally occurring 2H stacking to 3R stacking. Electronically, a strong interaction of the Nb impurity states with the host valence bands drastically and nonlinearly modifies the electronic band structure with the valence band maximum of multilayer MoS 2 at the Γ point pushed upward by hybridization with the Nb states. Finally, when thinned down to monolayers, in stark contrast, such significant nonlinear effect vanishes, instead resulting in strong and broadband photoluminescence via the formation of exciton complexes tightly bound to neutral acceptors.
Authors:
ORCiD logo [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [6] ;  [7] ;  [8] ;  [9] ; ORCiD logo [10] ;  [11] ;  [12] ;  [13] ;  [14] ; ORCiD logo [3] ; ORCiD logo [14]
  1. Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering; Univ. of Chicago, IL (United States). Dept. of Chemistry
  2. Inst. of High Performance Computing, Agency for Science, Technology and Research (Singapore)
  3. National Univ. of Singapore (Singapore). Dept. of Physics
  4. Stanford Univ., CA (United States). Dept. of Materials Science and Engineering
  5. National Changhua Univ. of Education, Changhua (Taiwan). Dept. of Electronics Engineering
  6. Korea Inst. of Science and Technology, Seoul (Korea). Center for Spintronics
  7. Univ. of California, Berkeley, CA (United States). Dept. of Physics; Pohang Univ. of Science and Technology, Pohang (Korea). Dept. of Materials Science and Engineering
  8. Univ. of California, Berkeley, CA (United States). Dept. of Physics
  9. Tata Inst. of Fundamental Research, Mumbai (India). Dept. of Condensed Matter Physics and Materials Science
  10. Tata Inst. of Fundamental Research, Mumbai (India). Dept. of Condensed Matter Physics and Materials Science
  11. Inst. of High Performance Computing, Agency for Science, Technology and Research (Singapore); National Univ. of Singapore (Singapore). Dept. of Chemistry
  12. Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
  13. Univ. of California, Berkeley, CA (United States). Dept. of Physics; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division
  14. Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division
Publication Date:
Grant/Contract Number:
AC02-05CH11231; MOST 105-2112-M-018-006
Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Research Org:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1433137