Polarization properties of wurtzite structure Zn1-xMgxO: A GGA+U investigation

被引：0
作者：
School of Electrical and Information Engineering, Anhui University of Science and Technology, Huainan [1 ]
232001, China
不详 [2 ]
232001, China
不详 [3 ]
210093, China
机构：
[1] School of Electrical and Information Engineering, Anhui University of Science and Technology, Huainan
[2] School of Mathematics and Physics, Anhui University of Science and Technology, Huainan
[3] Nanjing National Laboratory of Microstructures, School of Electronic Science and Engineering, Nanjing University, Nanjing
来源：
Faguang Xuebao | / 5卷 / 497-501期
关键词：
Berry-phase method; MgZnO; Spontaneous polarization; ZnO;
D O I：
10.3788/fgxb20153605.0497
中图分类号：
学科分类号：
摘要：
Two-dimensional electron gas (2DEG) with high-mobility was found in wurtzite ZnO/Zn1-xMgxO heterostructures which probably arises from the polarization discontinuity at the ZnO/Zn1-xMgxO interface. In this paper, we studied the polarization properties of Zn1-xMgxO alloy at different Mg composition using first-principles calculations with GGA+U method, and the polarization properties were calculated according to Berry-phase method. In addition, the polarization was divided into three parts: electronic polarization, iron polarization and piezoelectric polarization. The results indicate that the piezoelectric polarization is the most important part in these contributions. ©, 2015, Chines Academy of Sciences. All right reserved.
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页码：497 / 501
页数：4
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