Magnetic control of single transition metal doped MoS2 through H/F chemical decoration

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F17%3A10368319" target="_blank" >RIV/00216208:11310/17:10368319 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.jmmm.2016.08.088" target="_blank" >https://doi.org/10.1016/j.jmmm.2016.08.088</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jmmm.2016.08.088" target="_blank" >10.1016/j.jmmm.2016.08.088</a>

Result language
angličtina
Original language name
Magnetic control of single transition metal doped MoS2 through H/F chemical decoration
Original language description
Using density function theory, we study the spin state control of transition metal doped MoS2 through H/F chemical decoration. The results indicate that the ground spin state of single TM (Mn, Fe, and Co) doped MoS2 is sensitive to its chemical environment. H/F chemical decoration on TM can effectively modulate their magnetic moment up to 1 mu(B), especially for the Mn doped system, the F decoration will produce the system show "spin ON" to "spin OFF' transition. Interestingly, the H decoration will increase the magnetic moment of TM doped MoS2 with 1 mu(B), however, the F decoration will reduce the magnetic moment of TM doped MoS2 with 1 mu(B). Such modulation derives from the anti-bonding and bonding nature between TM and H/F atom, respectively. Our results may open a new route to apply TM doped MoS2 to multistate memory.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry

Project
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Continuities
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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