Abstract
The influence of Mn, Fe, Si vacancies and Al-doped 4H–SiC on the electronic structures and magnetic properties are studied by first principles calculations. The results indicate both Mn and Fe monodoped can induce magnetism. Additionally, the phenomenon of ferromagnetism is observed in (Mn, Fe)-codoped 4H–SiC system, mainly contributed by Mn and Fe atoms. The ferromagnetic mechanism is that C atoms act as a medium between Mn atom and Fe atom, forming a Mn–C–Si–C–Fe coupling chain. The Si vacancies have a weaker effect on inducing ferromagnetism and Al atom doped has no obvious effect on the magnetic properties. Our study provides an effective method of tuning magnetism in 4H–SiC.
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References
- 1.
H. Ohno, Making nonmagnetic semiconductors ferromagnetic. Science 281, 951–956 (1998)
- 2.
Z. Pan, Z. Dai, Z. Wang, Nanobelts of semiconducting oxides. Science 291, 1947–1949 (2001)
- 3.
M.H. Sluiter, Y. Kawazoe, P. Sharma, A. Inoue, A.R. Raju, C. Rout, U.V. Waghmare, First principles based design and experimental evidence for a ZnO-based ferromagnet at room temperature. Phys. Rev. Lett. 94, 187204 (2005)
- 4.
W.B. Jian, Z.Y. Wu, R.T. Huang, F.R. Chen, J.J. Kai, C.Y. Wu, S.J. Chiang, M.D. Lan, J.J. Lin, Direct observation of structure effect on ferromagnetism in Zn1−xCoxO nanowires. Phys. Rev. B 73, 233308 (2006)
- 5.
J.B. Casady, R.W. Johnson, Status of silicon carbide (SiC) as a wlde-bandgap semiconductor for high-temperature applications: a review. Solid-State Electron. 39, 1409–1422 (1996)
- 6.
F. Bechstedt, P. Käckell, A. Zywietz, K. Karch, B. Adolph, K. Tenelsen, J. Furthmüller, Polytypism and properties of silicon carbide. Physica status solidi (b) 202, 35–62 (1997)
- 7.
B. Song, H. Bao, H. Li, M. Lei, T. Peng, J. Jian, J. Liu, W. Wang, W. Wang, X. Chen, Observation of glassy ferromagnetism in Al-doped 4H-SiC. J. Am. Chem. Soc. 131, 1376–1377 (2009)
- 8.
M. Al Azri, M. Elzain, K. Bouziane, S.M. Chérif, First principle calculation of the electronic and magnetic properties of Mn-doped 6H-SiC. Eur. Phys. J. B 86, 402 (2013)
- 9.
L. Lin, Z. Zhang, H. Tao, M. He, G. Huang, B. Song, Density functional study on ferromagnetism in (Al, Fe)-codoped 4H-SiC. Comput. Mater. Sci. 87, 72–75 (2014)
- 10.
X.H. Zhang, J.C. Han, J.G. Zhou, C. Xin, Z.H. Zhang, B. Song, Ferromagnetism in homogeneous (Al, Co)-codoped 4H-silicon carbides. J. Magn. Magn. Mater. 363, 34–42 (2014)
- 11.
B. Song, X.L. Chen, J.C. Han, G. Wang, H.Q. Bao, L.B. Duan, K.X. Zhu, H. Li, Z.H. Zhang, W.Y. Wang, W.J. Wang, X.H. Zhang, S.H. Meng, Raman scattering and magnetizations studies of (Al, Cr)-codoped 4H-SiC. J. Magn. Magn. Mater. 323, 2876–2882 (2011)
- 12.
L. Lin, L. Zhu, R. Zhao, H. Tao, J. Huang, Y. Xu, Z. Zhang, First-principles study on ferromagnetism in 4H-SiC codoped with Al and Mn. New J. Chem. 42, 9393–9397 (2018)
- 13.
F.C. Pan, Z.P. Chen, X.L. Lin, F. Zheng, X.M. Wang, H.M. Chen, Electronic structure and magnetic properties of (Cu, N)-codoped 3C-SiC studied by first-principles calculations. Chin. Phys. B 25(9), 096108 (2016)
- 14.
W.H. Zhao, Z.Q. Wei, L. Zhang, X. Wu, X. Wang, J.L. Jiang, Optical and magnetic properties of Co and Ni co-doped ZnS nanorods prepared by hydrothermal method. J. Alloys Compd. 698(25), 754–760 (2017)
- 15.
S. Zulfiqar, Z. Iqbal, J.G. Lu, Zn–Cu-codoped SnO2 nanoparticles: structural, optical, and ferromagnetic behaviors. Chin. Phys. B 26(12), 126104 (2017)
- 16.
A. Goktas, High-quality solution-based Co and Cu co-doped ZnO nanocrystalline thin films: comparison of the effects of air and argon annealing environments. J. Alloys Compd. 735, 2038–2045 (2017)
- 17.
E.M. Salmani, A. Laghrissi, R. Lamouri, H.E. Zahraouy, A. Benyoussef, The electronic, magnetic and optical properties of ZnO doped with doubles impurities (Cr, Fe): an LDA-SIC and Monte Carlo study. J. Magn. Magn. Mater. 422(15), 348–355 (2017)
- 18.
E.M. Salmani, A. Laghrissi, R. Lamouri, M. Dehmani, E.M. Benchafia, H.E. Zahraouy, A. Benyoussef, Electronic, optical and magnetic properties of TM (Cr and Fe) doped Titania TiO2: Ab initio calculations, mean field approximation and Monte Carlo simulation. Opt. Quantum Electron. 49(97), 1–13 (2017)
- 19.
H.W. Cao, P.F. Lu, N.N. Cai, X.L. Zhang, Z.Y. Yu, T. Gao, S. Wang, First-principles study on electronic and magnetic properties of (Mn, Fe)-codoped ZnO. J. Magn. Magn. Mater. 352, 66–71 (2014)
- 20.
A.A. Raiss, Y. Sbai, L. Bahmad, A. Benyoussef, Magnetic and magneto-optical properties of doped and co-doped CdTe with (Mn, Fe): Ab-initio study. J. Magn. Magn. Mater. 385, 295–301 (2015)
- 21.
H.W. Cao, P.F. Lu, Z.X. Cong, Z.Y. Yu, N.N. Cai, X.L. Zhang, T. Gao, S. Wang, Magnetic properties in (Mn, Fe)-codoped ZnO nanowire. Thin Solid Films 548, 480–484 (2013)
- 22.
T. Kang, J. Sung, W. Shim, H. Moon, J. Cho, Y. Jo, W. Lee, B. Kim, Synthesis and magnetic properties of single-crystalline Mn/Fe-doped and co-doped ZnS nanowires and nanobelts. J. Phys. Chem. C 113(14), 5352–5357 (2009)
- 23.
H.L. Yang, X.G. Xu, G.Q. Zhang, J. Miao, X. Zhang, S.Z. Wu, Y. Jiang, Effect of defect complex on magnetic properties of (Fe, Mn)-doped ZnO thin films. Rare Met. 31(2), 154–157 (2012)
- 24.
L. Lin, J.T. Huang, W.Y. Yu, H.L. Tao, L.H. Zhu, P.T. Wang, Electronic structures and magnetic properties of Co-, Mn-doped and (Co, Mn) co-doped 4H-SiC: a first-principles study. Vacuum 172, 109091 (2020)
- 25.
L. Lin, L.B. Yan, J.T. Huang, H.L. Tao, J.S. Zhang, W.Y. Yu, Y.H. Xu, First-principles investigations of the effect of V and Fe dopants on the magnetic and optical properties of 4H-SiC. Thin Solid Films 709, 138182 (2020)
- 26.
B. Song, X.L. Chen, J.C. Han, J.K. Jian, H.Q. Bao, H. Li, K.X. Zhu, W.Y. Wang, G. Wang, H.B. Zuo, X.H. Zhang, S.H. Meng, Structural and magnetic properties of (Al, Fe)-codoped SiC. J. Phys. D-Appl. Phys. 43, 415002 (2010)
- 27.
X.H. Zhang, J.C. Zhou, C. Xin, Z.H. Zhang, B. Song, Ferromagnetism in homogeneous (Al, Co)-codoped 4H-silicon carbides. J. Magn. Magn. Mater. 363, 34–42 (2014)
- 28.
M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, M.C. Payne, First-principles simulation: ideas, illustrations and the CASTEP code. J. Phys.: Condens. Matter 14, 2717–2744 (2002)
- 29.
J.P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996)
- 30.
H.J. Xiang, S.-H. Wei, Enhanced ferromagnetic stability in Cu doped passivated GaN nanowires. Nano Lett. 8, 1825–1829 (2008)
- 31.
L.B. Shi, C.Y. Xu, H.K. Yuan, A CASTEP study on magnetic properties of C-doped ZnO crystal. Phys. B: Condens. Matter 406, 3187–3191 (2011)
- 32.
L. Lin, T. Liu, Z. Zhang, H. Tao, M. He, B. Song, Z. Zhang, Vacancy induced magnetism in N-doped 4H–SiC by first-principle calculations. Solid State Sci. 49, 78–82 (2015)
- 33.
L. Yu, H. Jin, D. Liu, Y. Dai, M. Guo, B. Huang, Z. Zhang, Investigation of ferromagnetism in Al-doped 4H–SiC by density functional theory. Chem. Phys. Lett. 496, 276–279 (2010)
Acknowledgements
This work was supported by the Innovation Scientists and Technicians Troop Construction Projects of Henan Province (CXTD2017089), the Natural Science Foundation of Henan Province (162300410116, 182300410288), the Science and Technology of Henan Province (182102210305), the Henan Postdoctoral Science Foundation and the Program for Innovative Research Team of Henan Polytechnic University (No. T2016-2). This work was also sponsored by Key Projects of Natural Science Foundation of Liaoning and Doctor Start-up Fund of Liaoning under Grant No. 20170520155. Computational resources have been provided by the Henan Polytechnic University high-performance grid computing platform.
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Liang, T., Zhu, L., Liu, X. et al. Ferromagnetism induced by (Mn, Fe) co-doped 4H–SiC. J Mater Sci: Mater Electron 32, 2999–3005 (2021). https://doi.org/10.1007/s10854-020-05051-6
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