How does thickness affect magnetic coupling in Ti-based MXenes
Néstor García‐Romeral, Ángel Morales‐García, Francesc Viñes, Ibério de P. R. Moreira, Francesc Illas
Abstract
The magnetic nature of Ti 2 C, Ti 3 C 2 , and Ti 4 C 3 MXenes is determined from periodic calculations within DFT and using the GGA based PBE functional, the PBE0 and HSE06 hybrids, and the on-site Hubbard corrected PBE+ U one, in all cases using a very tight numerical setup.
Topics & Concepts
MXenesAffect (linguistics)Coupling (piping)Inductive couplingMaterials scienceCondensed matter physicsChemical physicsChemistryPhysicsNanotechnologyPsychologyComposite materialQuantum mechanicsCommunicationMXene and MAX Phase Materials2D Materials and ApplicationsAdvanced Memory and Neural Computing