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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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 &quot;spin ON&quot; to &quot;spin OFF&apos; 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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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 &quot;spin ON&quot; to &quot;spin OFF&apos; 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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

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

Rok uplatnění

2017

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Magnetism and Magnetic Materials

ISSN

0304-8853

e-ISSN

—

Svazek periodika

422

Číslo periodika v rámci svazku

January

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

6

Strana od-do

243-248

Kód UT WoS článku

000396492300038

EID výsledku v databázi Scopus

2-s2.0-84985930863