Two-dimensional Janus transition-metal dichalcogenides with intrinsic ferromagnetism and half-metallicity
Identifikátory výsledku
Kód výsledku v 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>
Výsledek na webu
<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>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Two-dimensional Janus transition-metal dichalcogenides with intrinsic ferromagnetism and half-metallicity
Popis výsledku v původním jazyce
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.
Název v anglickém jazyce
Two-dimensional Janus transition-metal dichalcogenides with intrinsic ferromagnetism and half-metallicity
Popis výsledku anglicky
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.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10403 - Physical chemistry
Návaznosti výsledku
Projekt
—
Návaznosti
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Ostatní
Rok uplatnění
2018
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Computational Materials Science
ISSN
0927-0256
e-ISSN
—
Svazek periodika
152
Číslo periodika v rámci svazku
September
Stát vydavatele periodika
NL - Nizozemsko
Počet stran výsledku
7
Strana od-do
151-157
Kód UT WoS článku
000439718700020
EID výsledku v databázi Scopus
2-s2.0-85047604906