Light-Induced Ultrafast Enhancement of Magnetic Orders in Monolayer CrX3

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27640%2F23%3A10253192" target="_blank" >RIV/61989100:27640/23:10253192 - isvavai.cz</a>
Alternative codes found
RIV/61989100:27740/23:10253192
Result on the web
<a href="https://pubs.acs.org/doi/10.1021/acs.jpcc.3c03187" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jpcc.3c03187</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcc.3c03187" target="_blank" >10.1021/acs.jpcc.3c03187</a>

Result language
angličtina
Original language name
Light-Induced Ultrafast Enhancement of Magnetic Orders in Monolayer CrX3
Original language description
The recent discovery of light-tunable intrinsic ferromagnetismin two-dimensional (2D) van der Waals crystals has opened up a newarena for spintronics. However, the underlying mechanism is stillunder debate. Here, we performed excited-state density functionaltheory (DFT) calculations for optical manipulation of magnetism inmonolayered CrX3 (X = Cl, Br, I). By applying the real-timetime-dependent DFT method, we found that the laser pulses can directlyinduce ultrafast spin-selective charge transfer from X atoms to Cratoms and further generate a dramatic magnetic moment of Cr atom changes.The microscopic mechanisms for ultrafast changing of magnetic orderare discussed based on the p-d electron transition and electron-phononcoupling. Combined with constrained DFT and Monte Carlo simulations,we further theorized the light-excited effects on exchange interactionand found that the Curie temperature of CrX3 under lightexcitation (>150 K) is significantly higher than that in the groundstate (<70 K). Our results open new opportunities to manipulatethe spin in 2D magnets as well as the potential applications in spintronics.
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
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
<a href="/en/project/EF16_013%2F0001791" target="_blank" >EF16_013/0001791: IT4Innovations national supercomputing center - path to exascale</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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