Two-dimensional Janus transition-metal dichalcogenides with intrinsic ferromagnetism and half-metallicity
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F18%3A10386124" target="_blank" >RIV/00216208:11310/18:10386124 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.commatsci.2018.05.049" target="_blank" >https://doi.org/10.1016/j.commatsci.2018.05.049</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.commatsci.2018.05.049" target="_blank" >10.1016/j.commatsci.2018.05.049</a>
Alternative languages
Result language
angličtina
Original language name
Two-dimensional Janus transition-metal dichalcogenides with intrinsic ferromagnetism and half-metallicity
Original language description
Searching experimental feasible two-dimensional (2D) ferromagnetic crystals with room-temperature magnetic order and high spin-polarization is one key for the development of next-generation spintronic devices. Inspired by the recent experimental achievement for the synthesis of Janus MoSSe monolayer with out-of-plane symmetry, here, by ab initio calculation, we demonstrate this feasibility with the discovery of intrinsic 2D ferromagnetic Janus TMDs monolayer (TMXX', TM = V, Cr and Mn; X, X' = S, Se and Te, X. X') with large spin-polarization and high Curie temperature. Particularly, the MnSSe monolayer show half-metal with 100% spin polarization and wide half-metallic gap. A Curie temperature as high as 400 K has been found for VSSe materials. The formation energy calculation for Janus TMDs can be comparable with the TMDs monolayer. The dynamical stability for these 2D crystals also have been confirmed by phonon spectrum calculation. Our study presents a new class of 2D magnetic materials for future spintronics and valleytronics.
Czech name
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Czech description
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Classification
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
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Computational Materials Science
ISSN
0927-0256
e-ISSN
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Volume of the periodical
152
Issue of the periodical within the volume
September
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
7
Pages from-to
151-157
UT code for WoS article
000439718700020
EID of the result in the Scopus database
2-s2.0-85047604906