• Journal of Inorganic Materials
  • Vol. 36, Issue 5, 492 (2021)
Hui XIANG1,2, Hui QUAN1, Yiyuan HU1, Weiqian ZHAO1..., Bo XU2,3 and Jiang YIN2|Show fewer author(s)
Author Affiliations
  • 11. School of Mathematics and Physics, Hubei Polytechnic University, Huangshi 435003, China
  • 22. National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093, China
  • 33. School of Sciences, China Pharmaceutical University, Nanjing 211198, China
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    DOI: 10.15541/jim20200346 Cite this Article
    Hui XIANG, Hui QUAN, Yiyuan HU, Weiqian ZHAO, Bo XU, Jiang YIN. Piezoelectricity of Graphene-like Monolayer ZnO and GaN[J]. Journal of Inorganic Materials, 2021, 36(5): 492 Copy Citation Text show less

    Abstract

    By employing density functional theory calculations, the mechanical, electronic and piezoelectric properties of graphene-like monolayers ZnO (g-ZnO) and GaN (g-GaN) were investigated. Elastic stiffness constants and piezoelectric tensors of monolayers g-ZnO and g-GaN using their Clamped-ion and Relaxed-ion components were mainly studied. Results indicate that these two graphene-like structures are semiconductors with excellent elasticity. The piezoelectric coefficient of monolayers g-ZnO and g-GaN are about 9.4 and 2.2 pm·V-1, respectively, implying their piezoelectric effect in extremely thin film devices, especially the g-ZnO. The remarkable piezoelectricity of monolayer g-ZnO enables it a wide range of applications, such as mechanical stress sensors, actuators, transducer and energy harvesting devices.
    $\left[σ11σ22σ12\right]=\left[C11C120C12C22000(C11C12)/2\right]\left[ε11ε22ε12\right]$

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    $E_{\mathrm{s}}=a_{1}\left(\varepsilon_{11}^{2}+\varepsilon_{22}^{2}\right)+a_{2} \varepsilon_{11} \varepsilon_{22}$

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    $C_{11}=2 a_{1} / A_{0}, C_{12}=a_{1} / A_{0}$

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    $e_{i j k}=\frac{\partial P_{i}}{\partial \varepsilon_{j k}}, d_{i j k}=\frac{\partial P_{i}}{\partial \sigma_{j k}}$

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    $d111=d11d122=d12=d11d212=d221=d11$

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    $e111=e11e122=e12=e11e212=e221=e11$

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    $P_{1}=P_{1}\left(\varepsilon_{11}, \varepsilon_{22}=0\right)-P_{1}\left(\varepsilon_{11}=0, \varepsilon_{22}=0\right)=\varepsilon_{11} e_{11}$

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    $d_{11}=\frac{e_{11}}{C_{11}-C_{12}}$

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    Hui XIANG, Hui QUAN, Yiyuan HU, Weiqian ZHAO, Bo XU, Jiang YIN. Piezoelectricity of Graphene-like Monolayer ZnO and GaN[J]. Journal of Inorganic Materials, 2021, 36(5): 492
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