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|a 10.1002/jcc.27474
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|a pubmed24n1564.xml
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|a (DE-627)NLM376226188
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|a (NLM)39135268
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|a eng
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|a Zhang, Bo
|e verfasserin
|4 aut
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|a The high electron mobility for spin-down channel of two-dimensional spin-polarized half-metallic ferromagnetic EuSi2N4 monolayer
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|c 2024
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|a Text
|b txt
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Revised 10.10.2024
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2024 Wiley Periodicals LLC.
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|a The two-dimensional (2D) monolayer material MoSi2N4 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, MA2Z4 family monolayer materials involve primarily transition metal substitutions for M atoms. In order to address the research gap on lanthanide and actinide MA2Z4 materials, this work conducts electronic structure calculations on novel 2D MSi2N4 (M = La, Eu) monolayer materials by employing first-principles methods and CASTEP. High carrier mobility is discovered in the indirect bandgap semiconductor 2D LaSi2N4 monolayer (~5400 cm2 V-1 s-1) and in the spin (spin-down channel) carrier mobility of the half-metallic ferromagnetic EuSi2N4 monolayer (~2800 cm2 V-1 s-1). EuSi2N4 monolayer supplements research on spin carrier mobility in half-metallic ferromagnetic monolayer materials at room temperature and possesses a magnetic moment of 5 μB, which should not be underestimated. Furthermore, due to the unique electronic band structure of EuSi2N4 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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|a Journal Article
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|a carrier mobility
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|a density functional theory
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|a half‐metallic ferromagnetic material
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|a indirect bandgap semiconductor
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|a two‐dimensional material
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|a Wang, Huai-Qian
|e verfasserin
|4 aut
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|a Li, Hui-Fang
|e verfasserin
|4 aut
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|a Zheng, Hao
|e verfasserin
|4 aut
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|a Zhang, Yong-Hang
|e verfasserin
|4 aut
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|a Mei, Xun-Jie
|e verfasserin
|4 aut
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|a Zhang, Jia-Ming
|e verfasserin
|4 aut
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|a Jiang, Kai-Le
|e verfasserin
|4 aut
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|a Jiang, Qing-Wei
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 45(2024), 31 vom: 05. Okt., Seite 2678-2689
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|x 1096-987X
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|g volume:45
|g year:2024
|g number:31
|g day:05
|g month:10
|g pages:2678-2689
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|u http://dx.doi.org/10.1002/jcc.27474
|3 Volltext
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