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Title: A comprehensive picture in the view of atomic scale on piezoelectricity of ZnO tunnel junctions: The first principles simulation

Abstract

Piezoelectricity is closely related with the performance and application of piezoelectric devices. It is a crucial issue to understand its detailed fundamental for designing functional devices with more peculiar performances. Basing on the first principles simulations, the ZnO piezoelectric tunnel junction is taken as an example to systematically investigate its piezoelectricity (including the piezopotential energy, piezoelectric field, piezoelectric polarization and piezocharge) and explore their correlation. The comprehensive picture of the piezoelectricity in the ZnO tunnel junction is revealed at atomic scale and it is verified to be the intrinsic characteristic of ZnO barrier, independent of its terminated surface but dependent on its c axis orientation and the applied strain. In the case of the ZnO c axis pointing from right to left, an in-plane compressive strain will induce piezocharges (and a piezopotential energy drop) with positive and negative signs (negative and positive signs) emerging respectively at the left and right terminated surfaces of the ZnO barrier. Meanwhile a piezoelectric polarization (and a piezoelectric field) pointing from right to left (from left to right) are also induced throughout the ZnO barrier. All these piezoelectric physical quantities would reverse when the applied strain switches from compressive to tensile. This study provides anmore » atomic level insight into the fundamental behavior of the piezoelectricity of the piezoelectric tunnel junction and should have very useful information for future designs of piezoelectric devices.« less

Authors:
; ; ; ;  [1];  [2];  [1];  [2];  [2];  [1];  [2]
  1. State Key Laboratory of Optoelectronic Materials and Technologies, School of Physics and Engineering, Sun Yat-sen University, Guangzhou 510275 (China)
  2. (China)
Publication Date:
OSTI Identifier:
22611556
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Advances; Journal Volume: 6; Journal Issue: 6; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; COMPUTERIZED SIMULATION; CORRELATIONS; DESIGN; DIFFUSION BARRIERS; PIEZOELECTRICITY; POLARIZATION; STRAINS; SURFACES; SWITCHES; TUNNEL EFFECT; TUNNEL JUNCTIONS; ZINC OXIDES

Citation Formats

Zhang, Genghong, Zhu, Jia, Jiang, Gelei, Sheng, Qiang, Zheng, Yue, E-mail: zhengy35@mail.sysu.edu.cn, Micro&Nano Physics and Mechanics Research Laboratory, School of Physics and Engineering, Sun Yat-sen University, Guangzhou 510275, Chen, Weijin, Micro&Nano Physics and Mechanics Research Laboratory, School of Physics and Engineering, Sun Yat-sen University, Guangzhou 510275, Sino-French Institute of Nuclear Engineering and Technology, Sun Yat-Sen University, Zhuhai 519082, Wang, Biao, E-mail: wangbiao@mail.sysu.edu.cn, and Sino-French Institute of Nuclear Engineering and Technology, Sun Yat-Sen University, Zhuhai 519082. A comprehensive picture in the view of atomic scale on piezoelectricity of ZnO tunnel junctions: The first principles simulation. United States: N. p., 2016. Web. doi:10.1063/1.4954696.
Zhang, Genghong, Zhu, Jia, Jiang, Gelei, Sheng, Qiang, Zheng, Yue, E-mail: zhengy35@mail.sysu.edu.cn, Micro&Nano Physics and Mechanics Research Laboratory, School of Physics and Engineering, Sun Yat-sen University, Guangzhou 510275, Chen, Weijin, Micro&Nano Physics and Mechanics Research Laboratory, School of Physics and Engineering, Sun Yat-sen University, Guangzhou 510275, Sino-French Institute of Nuclear Engineering and Technology, Sun Yat-Sen University, Zhuhai 519082, Wang, Biao, E-mail: wangbiao@mail.sysu.edu.cn, & Sino-French Institute of Nuclear Engineering and Technology, Sun Yat-Sen University, Zhuhai 519082. A comprehensive picture in the view of atomic scale on piezoelectricity of ZnO tunnel junctions: The first principles simulation. United States. doi:10.1063/1.4954696.
Zhang, Genghong, Zhu, Jia, Jiang, Gelei, Sheng, Qiang, Zheng, Yue, E-mail: zhengy35@mail.sysu.edu.cn, Micro&Nano Physics and Mechanics Research Laboratory, School of Physics and Engineering, Sun Yat-sen University, Guangzhou 510275, Chen, Weijin, Micro&Nano Physics and Mechanics Research Laboratory, School of Physics and Engineering, Sun Yat-sen University, Guangzhou 510275, Sino-French Institute of Nuclear Engineering and Technology, Sun Yat-Sen University, Zhuhai 519082, Wang, Biao, E-mail: wangbiao@mail.sysu.edu.cn, and Sino-French Institute of Nuclear Engineering and Technology, Sun Yat-Sen University, Zhuhai 519082. Wed . "A comprehensive picture in the view of atomic scale on piezoelectricity of ZnO tunnel junctions: The first principles simulation". United States. doi:10.1063/1.4954696.
@article{osti_22611556,
title = {A comprehensive picture in the view of atomic scale on piezoelectricity of ZnO tunnel junctions: The first principles simulation},
author = {Zhang, Genghong and Zhu, Jia and Jiang, Gelei and Sheng, Qiang and Zheng, Yue, E-mail: zhengy35@mail.sysu.edu.cn and Micro&Nano Physics and Mechanics Research Laboratory, School of Physics and Engineering, Sun Yat-sen University, Guangzhou 510275 and Chen, Weijin and Micro&Nano Physics and Mechanics Research Laboratory, School of Physics and Engineering, Sun Yat-sen University, Guangzhou 510275 and Sino-French Institute of Nuclear Engineering and Technology, Sun Yat-Sen University, Zhuhai 519082 and Wang, Biao, E-mail: wangbiao@mail.sysu.edu.cn and Sino-French Institute of Nuclear Engineering and Technology, Sun Yat-Sen University, Zhuhai 519082},
abstractNote = {Piezoelectricity is closely related with the performance and application of piezoelectric devices. It is a crucial issue to understand its detailed fundamental for designing functional devices with more peculiar performances. Basing on the first principles simulations, the ZnO piezoelectric tunnel junction is taken as an example to systematically investigate its piezoelectricity (including the piezopotential energy, piezoelectric field, piezoelectric polarization and piezocharge) and explore their correlation. The comprehensive picture of the piezoelectricity in the ZnO tunnel junction is revealed at atomic scale and it is verified to be the intrinsic characteristic of ZnO barrier, independent of its terminated surface but dependent on its c axis orientation and the applied strain. In the case of the ZnO c axis pointing from right to left, an in-plane compressive strain will induce piezocharges (and a piezopotential energy drop) with positive and negative signs (negative and positive signs) emerging respectively at the left and right terminated surfaces of the ZnO barrier. Meanwhile a piezoelectric polarization (and a piezoelectric field) pointing from right to left (from left to right) are also induced throughout the ZnO barrier. All these piezoelectric physical quantities would reverse when the applied strain switches from compressive to tensile. This study provides an atomic level insight into the fundamental behavior of the piezoelectricity of the piezoelectric tunnel junction and should have very useful information for future designs of piezoelectric devices.},
doi = {10.1063/1.4954696},
journal = {AIP Advances},
number = 6,
volume = 6,
place = {United States},
year = {Wed Jun 15 00:00:00 EDT 2016},
month = {Wed Jun 15 00:00:00 EDT 2016}
}