Electronic structures at the interface between LiNbO3 and the metal electrodes: first-principles calculation

被引：0
|
作者：
Wang, Hao [1 ]
Liao, Yunxia [1 ]
Liu, Yue [1 ]
Li, Yanshuai [1 ]
Yang, Lin [1 ]
Wei, Xianggang [1 ]
Shang, Wenlong [1 ]
Ye, Kun [1 ]
Hou, Wenjing [1 ]
机构：
[1] Liaoning Tech Univ, Coll Mat Sci & Engn, Fuxin, Peoples R China
来源：
FERROELECTRICS | 2021年 / 585卷 / 01期
关键词：
First principles; ferroelectrics; metal electrodes; interface; effective mass; GRAPHENE; STATES; FE;
D O I：
10.1080/00150193.2021.1991212
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
In this paper, iterative optimization is carried out within the allowable range of mismatch of the crystal lattice, and the density of states, energy band, differential charge density and effective mass of the cell-electrode interface are calculated and analyzed. It is proposed to improve the application of ferroelectric LiNbO3-based electric-optic modulators with a better choice of electrodes, and can provide a carrier-transfer basis for the ferroelectric materials. And the calculation of the interface offered selection for the new materials electrode, to improve the efficiency in the electric-optic transfer and the storage efficiency in the future.
引用
收藏
页码：52 / 61
页数：10
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