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Prediction of two-dimensional diluted magnetic semiconductors: Doped monolayer MoS2systems
Abstract
Using first-principles calculations, we propose a two-dimensional diluted magnetic semiconductor: monolayer MoS${}_{2}$ doped by transition metals. Doping of transition metal atoms from the IIIB to VIB groups results in nonmagnetic states, since the number of valence electrons is smaller or equal to that of Mo. Doping of atoms from the VIIB to IIB groups becomes energetically less and less favorable. Magnetism is observed for Mn, Fe, Co, Zn, Cd, and Hg doping, while for the other dopants from these groups it is suppressed by Jahn-Teller distortions. Analysis of the binding energies and magnetic properties indicates that (Mo,$X$)S${}_{2}$ ($X=\text{Mn}$, Fe, Co, and Zn) are promising systems to explore two-dimensional diluted magnetic semiconductors.
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Cites
Electronic Structure: Basic Theory and Practical Methods
Martin, R. M. (2004) · doi:10.1017/cbo9780511805769 · Cited by 1,752
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Synthesis, stabilization and applications of 2-dimensional 1T metallic MoS 2
Shi, S., Sun, Z., & Hu, Y. H. (2018) · Journal of Materials Chemistry A · doi:10.1039/c8ta08152b · Cited by 374
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Peimyoo, N., Shang, J., Cong, C., Shen, X., Wu, X., Yeow, E. K. L., & Yu, T. (2013) · ACS Nano · doi:10.1021/nn4046002 · Cited by 308
Wang, S., Tian, H., Ren, C., Yu, J., & Sun, M. (2018) · Scientific Reports · doi:10.1038/s41598-018-30614-3 · Cited by 282
Zhang, T., Fujisawa, K., Zhang, F., Liu, M., Lucking, M. C., Gontijo, R. N., Lei, Y., Liu, H., Crust, K., Granzier-Nakajima, T., et al. (2020) · ACS Nano · doi:10.1021/acsnano.9b09857 · Cited by 172
Metadata
- Authors
- Cheng, Y. C., Zhu, Z. Y., Mi, W. B., Guo, Z. B., & Schwingenschlögl, U.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2013-03-05
- Volume
- 87
- Issue
- 10
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W1994813956
- Cited by
- 569
- References
- 1
- FWCI
- 19.69
- Type
- journal article
- Language
- en
- Open access
- closed
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- Cheng, Y. C., Zhu, Z. Y., Mi, W. B., Guo, Z. B., & Schwingenschlögl, U. (2013). Prediction of two-dimensional diluted magnetic semiconductors: Doped monolayer MoS2systems. Physical Review B. https://doi.org/10.1103/physrevb.87.100401
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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