Journal of Inorganic Materials ›› 2021, Vol. 36 ›› Issue (5): 492-496.DOI: 10.15541/jim20200346

Special Issue: 【虚拟专辑】计算材料

• RESEARCH ARTICLE • Previous Articles     Next Articles

Piezoelectricity of Graphene-like Monolayer ZnO and GaN

XIANG Hui1,2(), QUAN Hui1, HU Yiyuan1, ZHAO Weiqian1, XU Bo2,3, YIN Jiang2   

  1. 1. School of Mathematics and Physics, Hubei Polytechnic University, Huangshi 435003, China
    2. National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093, China
    3. School of Sciences, China Pharmaceutical University, Nanjing 211198, China
  • Received:2020-06-22 Revised:2020-09-30 Published:2021-05-20 Online:2021-04-19
  • About author:XIANG Hui(1986-), female, associate professor.
  • Supported by:
    Open Project of the State Key Laboratory of Solid Microstructure Physics, Nanjing University(M32016);Hubei Polytechnic University Talent Project(18xjz17R);Hubei Province University Student Innovation and Entrepreneurship Training Project(S201910920041)


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.

Key words: piezoelectricity, elasticity, electronic structure, ZnO, GaN, graphene-like monolayer

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