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Zhang, Qi; Christensen, Rasmus; Bødker, Mikkel L.; Du, Tao; To, Theany; Muñoz, Francisco; Bauchy, Mathieu; Smedskjaer, Morten M. (, Physical Review Materials)
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Singh, Sobhit; Romero, Aldo H.; Mella, José D.; Eremeev, Vitalie; Muñoz, Enrique; Alexandrova, Anastassia N.; Rabe, Karin M.; Vanderbilt, David; Muñoz, Francisco (, npj Quantum Materials)Abstract A two-dimensional material – Mg 2 B 4 C 2 , belonging to the family of the conventional superconductor MgB 2 , is theoretically predicted to exhibit superconductivity with critical temperature T c estimated in the 47–48 K range (predicted using the McMillian-Allen-Dynes formula) without any tuning of external parameters such as doping, strain, or substrate-induced effects. The origin of such a high intrinsic T c is ascribed to the presence of strong electron-phonon coupling and large density of states at the Fermi level. This system is obtained after replacing the chemically active boron-boron surface layers in a MgB 2 slab by chemically inactive boron-carbon layers. Hence, the surfaces of this material are inert. Our calculations confirm the stability of 2D Mg 2 B 4 C 2 . We also find that the key features of this material remain essentially unchanged when its thickness is increased by modestly increasing the number of inner MgB 2 layers.more » « less
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Herath, Uthpala; Tavadze, Pedram; He, Xu; Bousquet, Eric; Singh, Sobhit; Muñoz, Francisco; Romero, Aldo H. (, Computer Physics Communications)
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