TY - JOUR
T1 - Above Room Temperature Ferromagnetism in Gd2B2Monolayer with High Magnetic Anisotropy
AU - Gorkan, Taylan
AU - Vatansever, Erol
AU - Aklncl, Ümit
AU - Gökoglu, Gökhan
AU - Aktürk, Ethem
AU - Ciraci, Salim
N1 - Publisher Copyright:
© 2020 American Chemical Society.
PY - 2020/6/11
Y1 - 2020/6/11
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85087937873&partnerID=8YFLogxK
U2 - 10.1021/acs.jpcc.0c03304
DO - 10.1021/acs.jpcc.0c03304
M3 - Article
AN - SCOPUS:85087937873
SN - 1932-7447
VL - 124
SP - 12816
EP - 12823
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
IS - 23
ER -