Evaluating strain and doping of Janus MoSSe from phonon mode shifts supported by <i>ab initio</i> DFT calculations
Jennifer Schmeink, Vladislav Musytschuk, Erik Pollmann, Stephan Sleziona, André Maas, Peter Kratzer, Marika Schleberger
Abstract
Research into Janus monolayers is slowly advancing. With the support of ab initio DFT calculations, information on the intrinsic properties of Janus-MoSSe monolayers, such as strain and doping, can improve our understanding of this new class of materials.
Topics & Concepts
JanusMonolayerAb initioPhononDopingMaterials scienceStrain (injury)Ab initio quantum chemistry methodsCondensed matter physicsChemical physicsComputational chemistryNanotechnologyChemistryPhysicsOptoelectronicsMoleculeOrganic chemistryMedicineInternal medicine2D Materials and ApplicationsPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin Films