Open AccessElectronic and magnetic properties of Co doped MoS2 monolayer
Author(s) -
Yiren Wang,
Sean Li,
Jiabao Yi
Publication year - 2016
Publication title -
scientific reports
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.24
H-Index - 213
ISSN - 2045-2322
DOI - 10.1038/srep24153
Subject(s) - ferromagnetism , vacancy defect , monolayer , condensed matter physics , doping , dopant , materials science , magnetic semiconductor , cluster (spacecraft) , inductive coupling , coupling (piping) , magnetic moment , nanotechnology , physics , quantum mechanics , computer science , metallurgy , programming language
First principle calculations are employed to calculate the electronic and magnetic properties of Co doped MoS 2 by considering a variety of defects including all the possible defect complexes. The results indicate that pristine MoS 2 is nonmagnetic. The materials with the existence of S vacancy or Mo vacancy alone are non-magnetic either. Further calculation demonstrates that Co substitution at Mo site leads to spin polarized state. Two substitutional Co Mo defects tend to cluster and result in the non-magnetic behaviour. However, the existence of Mo vacancies leads to uniform distribution of Co dopants and it is energy favourable with ferromagnetic coupling, resulting in an intrinsic diluted magnetic semiconductor.