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.

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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

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article

The high electron mobility for spin‐down channel of two‐dimensional spin‐polarized half‐metallic ferromagnetic EuSi2N4 monolayer

Yong‐Hang Zhang, Huai‐Qian Wang, Huifang Li, Jiaming Zhang et al.
1 citations
Journal of Computational Chemistry
2D Materials and Applications
0.12
article

The high electron mobility for spin‐down channel of two‐dimensional spin‐polarized half‐metallic ferromagnetic EuSi2N4 monolayer

Yong‐Hang Zhang, Huai‐Qian Wang, Huifang Li, Jiaming Zhang, Hao Zheng, Bo Zhang, Qing‐Wei Jiang, Xun‐Jie Mei, Kai‐Le Jiang
article en
1 citations

Abstract

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.

Journal of Computational ChemistryVol. 45(31)
Kunming University of Science and Technology (CN), Huaqiao University (CN)
Natural Science Foundation of Xiamen City, Natural Science Foundation of Fujian Province
Openalex Percentile: Top 61%
2D Materials and Applications
0.12
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