Defect dependent electronic properties of two-dimensional transition metal dichalcogenides (2H, 1T, and 1T′ phases)
Berna Akgenç, Mehmet C. Onbaşlı
Abstract
reduced from 1.43 eV (1.31 eV with SOC) under GGA to a range of 0.98 eV to 0.06 eV, depending on the concentration. Our findings provide guidelines for experimental screening of 2D TMD defects, paving the way for the development of next-generation spintronic, electronic, and optoelectronic devices.
Topics & Concepts
Transition metalPhase transitionPhase (matter)Materials scienceChemical physicsElectronic structureMetalCondensed matter physicsChemistryNanotechnologyPhysicsMetallurgyQuantum mechanicsCatalysisBiochemistry2D Materials and ApplicationsSupramolecular Self-Assembly in MaterialsMachine Learning in Materials Science