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First-principles Investigations of Magnetic Semiconductors: An example of Transition Metal Decorated Two-dimensional SnS Monolayer.
- Source :
-
Nanomaterials (2079-4991) . Oct2018, Vol. 8 Issue 10, p789. 1p. - Publication Year :
- 2018
-
Abstract
- The absence of magnetic moments in pristine two-dimensional (2D) semiconducting materials has attracted many research interests. Transition-metal (TM) decoration has been found to be an effective strategy to introduce magnetic moments in non-magnetic 2D semiconductors. However, the stability of TM atoms modified 2D semiconductors has not been well explored. Here, taking 2D Tin (II) sulfide (SnS) monolayer as a prototype, we explored the stability of magnetic semiconductors through this method. In our studies, all possible configurations of TM decoration have been considered, namely, adsorption on the intact surface, S vacancy, and Sn vacancy. Based on the energy gain and electronic analysis, our results revealed that most of the TM atoms will form a cluster, and only several TM atoms can be effectively doped into the SnS monolayer. Furthermore, the band calculations showed that only Mn substitution will give rise to a magnetic semiconductor. Thus, the reported results here provide some hidden information for further realization of the magnetic semiconductors and serve as a paradigm to prepare 2D magnetic semiconductors. [ABSTRACT FROM AUTHOR]
- Subjects :
- *MAGNETIC semiconductors
*TRANSITION metals
*TIN compounds
Subjects
Details
- Language :
- English
- ISSN :
- 20794991
- Volume :
- 8
- Issue :
- 10
- Database :
- Academic Search Index
- Journal :
- Nanomaterials (2079-4991)
- Publication Type :
- Academic Journal
- Accession number :
- 132633189
- Full Text :
- https://doi.org/10.3390/nano8100789