The electronic and piezoelectric properties of Janus monolayer MSi2X2Y2: A first-principles study

被引：0
|
作者：
Li, Le [1 ]
Zhang, Depeng [1 ]
Liu, Dongyan [1 ]
Zhang, Hui [1 ]
机构：
[1] Shenyang Univ, Shenyang 110044, Peoples R China
来源：
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES | 2025年 / 169卷
关键词：
Janus two-dimensional monolayer; Piezoelectric properties; First-principles calculations; TE MONOLAYERS; ENERGY; PREDICTION; INTERFACES; MOS2; SE;
D O I：
10.1016/j.physe.2025.116211
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
In this work, Janus two-dimensional MSi2X2Y2 (M = Mo and W, X, Y=N, P and As) monolayers were constructed based on monolayer MoSi2N4 and WSi2N4. The phonon dispersion spectrums calculated by first principles indicated that they have high stability. The MSi2N2P2 and MSi2P2As2 monolayers with the bandgap (0.77 eV-1.19 eV) are indirect and direct semiconductors, respectively. They show big in-plane piezoelectric coefficients and considerable out-of-plane piezoelectric coefficients due to Janus structures. Therefore, MSi2N2P2 and MSi2P2As2 have large potential applications in the field of flexible piezoelectric devices such as energy collector, sensor, electronic skin and so on.
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页数：6
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