Polarization Mechanism of Oxygen Vacancy and Its Influence on Dielectric Properties in ZnO
WANG Li-Na1, FANG Xiao-Yong1**, HOU Zhi-Ling2, LI Ya-Lin1, WANG Kun1, YUAN Jie3, CAO Mao-Sheng2**
1School of Science, Yanshan University, Qinhuangdao 066004 2School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 3School of Information Engineering, Central University for Nationalities, Beijing 100081
Polarization Mechanism of Oxygen Vacancy and Its Influence on Dielectric Properties in ZnO
WANG Li-Na1, FANG Xiao-Yong1**, HOU Zhi-Ling2, LI Ya-Lin1, WANG Kun1, YUAN Jie3, CAO Mao-Sheng2**
1School of Science, Yanshan University, Qinhuangdao 066004 2School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 3School of Information Engineering, Central University for Nationalities, Beijing 100081
摘要We report on the mechanism of the dielectric properties of oxygen vacancy in ZnO, using ab initio numerical simulations of oxygen vacancy on the band structure and dielectric properties, to develop photoelectric material applications. It is revealed that the appearance of oxygen vacancies leads to wider energy band gap, obvious blue shift and increase in the peak of dielectric function as compared to the intrinsic ZnO simulation. We explain these unusual phenomena and analyze the dielectric changes with the mechanism of polarization in the semiconductors. It is shown that the main mechanism of influencing dielectric properties is the electron displacement polarization. The result may be helpful for development of photoelectric materials.
Abstract：We report on the mechanism of the dielectric properties of oxygen vacancy in ZnO, using ab initio numerical simulations of oxygen vacancy on the band structure and dielectric properties, to develop photoelectric material applications. It is revealed that the appearance of oxygen vacancies leads to wider energy band gap, obvious blue shift and increase in the peak of dielectric function as compared to the intrinsic ZnO simulation. We explain these unusual phenomena and analyze the dielectric changes with the mechanism of polarization in the semiconductors. It is shown that the main mechanism of influencing dielectric properties is the electron displacement polarization. The result may be helpful for development of photoelectric materials.
WANG Li-Na;FANG Xiao-Yong**;HOU Zhi-Ling;LI Ya-Lin;WANG Kun;YUAN Jie;CAO Mao-Sheng**
. Polarization Mechanism of Oxygen Vacancy and Its Influence on Dielectric Properties in ZnO[J]. 中国物理快报, 2011, 28(2): 27101-027101.
WANG Li-Na, FANG Xiao-Yong**, HOU Zhi-Ling, LI Ya-Lin, WANG Kun, YUAN Jie, CAO Mao-Sheng**
. Polarization Mechanism of Oxygen Vacancy and Its Influence on Dielectric Properties in ZnO. Chin. Phys. Lett., 2011, 28(2): 27101-027101.
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2011, Vol. 28 
