The Piezoelectricity and Doping-Induced Ferromagnetism of Janus XYP2 (X/Y = Si, Ge, Sn, and Pb; X ≠ Y) Monolayers,Physica Status Solidi (B) - Basic Solid State Physics

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The Piezoelectricity and Doping-Induced Ferromagnetism of Janus XYP2 (X/Y = Si, Ge, Sn, and Pb; X ≠ Y) Monolayers
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.5 ) Pub Date : 2022-08-18 , DOI: 10.1002/pssb.202200269
Shujuan Jiang ₁ , Guang-ping Zheng _{1,

2}

Affiliation

2D materials that possess multifunctional properties are of great interest for applications in semiconducting devices. Herein, a series of novel Janus XYP₂ (X/Y = Si, Ge, Sn, and Pb; X ≠ Y) monolayers with good stability, electronic, mechanical, piezoelectric properties, as well as ferromagnetic properties are predicted based on density functional theory. They are all indirect-bandgap semiconductors with bandgaps varying from 0.56 to 2.18 eV. The monolayers exhibit in-plane and out-of-plane piezoelectricity with large piezoelectric coefficients, suggesting that they are promising piezoelectric materials for nanoelectromechanical systems. In SiGeP₂, GeSnP₂, and SnPbP₂ monolayers, hole doping is found to be an effective approach in inducing or tuning different ferromagnetic states resulting from electronic instability as reflected by van Hove singularity of band structures in the 2D systems. The results suggest that Janus XYP₂ monolayers can be promising 2D materials for applications in nanoelectronic, spintronic, and nanoelectromechanical devices.

中文翻译：

Janus XYP2（X/Y = Si、Ge、Sn 和 Pb；X ≠ Y）单层膜的压电性和掺杂诱导的铁磁性

具有多功能特性的二维材料在半导体器件中的应用引起了极大的兴趣。在此，基于密度泛函预测了一系列具有良好稳定性、电子、机械、压电特性以及铁磁特性的新型 Janus XYP 2 (X/Y = Si、Ge、Sn 和 Pb；X ≠ Y) 单分子_层理论。它们都是间接带隙半导体，带隙从 0.56 到 2.18 eV 不等。单分子层表现出具有大压电系数的面内和面外压电性，表明它们是用于纳米机电系统的有前途的压电材料。在 SiGeP ₂、GeSnP ₂和 SnPbP _2中单层，空穴掺杂被发现是诱导或调整由电子不稳定性引起的不同铁磁状态的有效方法，如二维系统中带结构的范霍夫奇点所反映的那样。结果表明，Janus XYP ₂单层膜可能是一种很有前途的二维材料，可用于纳米电子、自旋电子和纳米机电设备。

更新日期：2022-08-18

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