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Lee, Geunsik
Electronic Structure and Transport in Condensed Materials
Research Interests
  • open quantum system, non-equilibrium electron transport
  • electron correlation, dynamical mean field theory
  • 2D materials, metal complexes

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Tailoring electronic and magnetic properties of MoS2 nanotubes

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Title
Tailoring electronic and magnetic properties of MoS2 nanotubes
Author
Li, NannanLee, GeunsikJeong, Yoon HeeKim, Kwang S.
Issue Date
2015-03
Publisher
AMER CHEMICAL SOC
Citation
JOURNAL OF PHYSICAL CHEMISTRY C, v.119, no.11, pp.6405 - 6413
Abstract
We have studied the electronic and magnetic structures of MoS2 nanotubes by using a first-principles method. Various kinds of defects such as substitution and vacancy are examined for triggering spin magnetic moments toward one-dimensional diluted magnetic semiconductors. Our results suggest that the presence of impurity states within the energy gap and its large contribution to the density of states at the Fermi level are the key factors in inducing a magnetic moment. In particular, the nanotube curvature turns out to affect the energy level of impurity states, which can be exploited for tailoring magnetic properties. Also, 3d transition metal impurities (V, Mn, Fe, and Co atoms) on a Mo site can create large magnetic moments. ⓒ 2015 American Chemical Society
URI
https://scholarworks.unist.ac.kr/handle/201301/11163
URL
http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.5b00176
DOI
10.1021/acs.jpcc.5b00176
ISSN
1932-7447
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PHY_Journal Papers
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