Extended Moment Formation in Monolayer WS2 Doped with 3d Transition-Metals
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2016-08-30
Print Publication Date2016-09-14
Permanent link to this recordhttp://hdl.handle.net/10754/622403
MetadataShow full item record
AbstractFirst-principles calculations with onsite Coulomb interaction and spin-orbit coupling are used to investigate the electronic structure of monolayer WS2 doped substitutionally with 3d transition-metals. While neither W vacancies nor strain induce spin polarization, we demonstrate an unprecedented tendency to extended moment formation under doping. The extended magnetic moments are characterized by dopant-specific spin density patterns with rich structural features involving the nearest neighbor W and S atoms.
CitationSingh N, Schwingenschlögl U (2016) Extended Moment Formation in Monolayer WS2Doped with 3d Transition-Metals. ACS Applied Materials & Interfaces 8: 23886–23890. Available: http://dx.doi.org/10.1021/acsami.6b05670.
SponsorsThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). We thank B. Amin for fruitful discussions.
PublisherAmerican Chemical Society (ACS)
- Spin Polarization Properties of Two Dimensional GaP(3) Induced by 3d Transition-Metal Doping.
- Authors: Wei H, Guo J, Yuan X, Ren J
- Issue date: 2021 Jun 24
- Spin Polarization Properties of Pentagonal PdSe₂ Induced by 3D Transition-Metal Doping: First-Principles Calculations.
- Authors: Zhao X, Qiu B, Hu G, Yue W, Ren J, Yuan X
- Issue date: 2018 Nov 21
- Steady semiconducting properties of monolayer PtSe(2) with non-metal atom and transition metal atom doping.
- Authors: Zhao X, Huang R, Wang T, Dai X, Wei S, Ma Y
- Issue date: 2020 Mar 14
- Realization of a half-metallic state on bilayer WSe(2) using doping transition metals (Cr, Mn, Fe, Co, Ni) in its interlayer.
- Authors: Yang G, Yang Y, Ma H, Mao X, Li C, Li J, Zhang Q, Zhang Z, Yin F, Li J
- Issue date: 2018 Mar 16
- Engineering the magnetic properties of PtSe(2) monolayer through transition metal doping.
- Authors: Kar M, Sarkar R, Pal S, Sarkar P
- Issue date: 2019 Apr 10