The high electron mobility for spin‐down channel of two‐dimensional spin‐polarized half‐metallic ferromagnetic <scp>EuSi<sub>2</sub>N<sub>4</sub></scp> monolayer
The two-dimensional (2D) monolayer material MoSi<sub>2</sub>N<sub>4</sub> was successfully synthesized in 2020[Hong et al., Science 369, 670, (2020)], exhibiting a plethora of new phenomena and unusual properties, with good stability at room temperature. However, MA<sub>2</sub>Z<sub>4</sub> family monolayer materials involve primarily transition metal substitutions for M atoms. In order to address the research gap on lanthanide and actinide MA<sub>2</sub>Z<sub>4</sub> materials, this work conducts electronic structure calculations on novel 2D MSi<sub>2</sub>N<sub>4</sub> (M = La, Eu) monolayer materials by employing first-principles methods and CASTEP. High carrier mobility is discovered in the indirect bandgap semiconductor 2D LaSi<sub>2</sub>N<sub>4</sub> monolayer (~5400 cm<sup>2</sup> V<sup>-1</sup> s<sup>-1</sup>) and in the spin (spin-down channel) carrier mobility of the half-metallic ferromagnetic EuSi<sub>2</sub>N<sub>4</sub> monolayer (~2800 cm<sup>2</sup> V<sup>-1</sup> s<sup>-1</sup>). EuSi<sub>2</sub>N<sub>4</sub> monolayer supplements research on spin carrier mobility in half-metallic ferromagnetic monolayer materials at room temperature and possesses a magnetic moment of 5 μ<sub>B</sub>, which should not be underestimated. Furthermore, due to the unique electronic band structure of EuSi<sub>2</sub>N<sub>4</sub> monolayer (with the spin-up channel exhibiting metallic properties and the spin-down channel exhibiting semiconductor properties), it demonstrates a 100% spin polarization rate, presenting significant potential applications in fields such as magnetic storage, magnetic sensing, and spintronics.
Authors
- Yong‐Hang Zhang (ORCID: https://orcid.org/0000-0002-0485-1924)
- Huai‐Qian Wang (ORCID: https://orcid.org/0000-0003-0388-510X)
- Huifang Li (ORCID: https://orcid.org/0000-0003-3744-3254)
- Jiaming Zhang (ORCID: https://orcid.org/0009-0007-2181-2613)
- Hao Zheng (ORCID: https://orcid.org/0000-0002-6367-3371)
- Bo Zhang (ORCID: https://orcid.org/0000-0003-4114-8020)
- Qing‐Wei Jiang
- Xun‐Jie Mei
- Kai‐Le Jiang
Institutions
- Kunming University of Science and Technology (CN)
- Huaqiao University (CN)
Publication Details
- Journal
- Journal of Computational Chemistry
- Published
- 2024-08-12
- DOI
- https://doi.org/10.1002/jcc.27474
- Citations
- 1
- Primary Topic
- 2D Materials and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.12
Funders
- Natural Science Foundation of Xiamen City
- Natural Science Foundation of Fujian Province