Enhanced piezoelectric effect in MoS2 and surface-engineered GaN bilayer

The piezoelectric effect of MoS2 and surface-engineered GaN bilayers is systematically investigated using the density functional perturbation theory based on first-principles calculations. The results show that the piezoelectric coefficients increased in the stacking with same polarization orientati...

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Veröffentlicht in:Journal of applied physics 2021-07, Vol.130 (1), Article 015113
Hauptverfasser: Wang, Xinxin, Shi, Wenyu, Wan, Jianguo
Format: Artikel
Sprache:eng
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Zusammenfassung:The piezoelectric effect of MoS2 and surface-engineered GaN bilayers is systematically investigated using the density functional perturbation theory based on first-principles calculations. The results show that the piezoelectric coefficients increased in the stacking with same polarization orientation between MoS2 and of surface-engineered GaN monolayers. We further find that the increment extent is also affected by different stacking configurations. Furthermore, the uniaxial and normal strains can effectively modulate the piezoelectric coefficients in a reasonable range. Such variations can be revealed by analyzing the charge distribution at different strain states. Our results show that MoS2 and surface-engineered GaN bilayers have potential applications in nanosensors and piezotronics.
ISSN:0021-8979
1089-7550
DOI:10.1063/5.0055321