Above Room Temperature Ferromagnetism in Gd2B2 Monolayer with High Magnetic Anisotropy

The realization of 2D ultrathin crystals with a ferromagnetic ground state that is sustainable at room temperature has been a real challenge now. By combining ab initio density functional theory with Monte Carlo simulations, we predicted a new 2D structure, Gd2B2 monolayer, which maintains its mecha...

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Veröffentlicht in:Journal of physical chemistry. C 2020-06, Vol.124 (23), p.12816-12823
Hauptverfasser: Gorkan, Taylan, Vatansever, Erol, Akinci, Umit, Gokoglu, Gokhan, Akturk, Ethem, Ciraci, Salim
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Sprache:eng
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Zusammenfassung:The realization of 2D ultrathin crystals with a ferromagnetic ground state that is sustainable at room temperature has been a real challenge now. By combining ab initio density functional theory with Monte Carlo simulations, we predicted a new 2D structure, Gd2B2 monolayer, which maintains its mechanical stability at elevated temperatures. More remarkably, it has a ferromagnetic ground state with high permanent magnetic moment, which persists far above room temperature. It exhibits high magnetocrystalline anisotropy along particular directions. We find also that both its magnetic anisotropy and Curie temperature can largely be altered by applied strain providing an excellent magnetoelastic tunability. This novel 2D crystal with high magnetic moment and Curie temperature combined with high structural and thermal stability can offer critical applications in magnetoelectronics.
ISSN:1932-7447
1932-7455
DOI:10.1021/acs.jpcc.0c03304