Approach to Inversion Design of Dielectric Material Based on the First-Principle

• Published in: Chinese Journal of Electronics Vol. 26; no. 1; pp. 50 - 57
• Main Authors: Miao, Qiang, Wu, Dewei, He, Jing, Yang, Chunyan, Xie, Lei
• Format: Journal Article
• Language: English
• Published: Published by the IET on behalf of the CIE 01.01.2017
• Subjects: atomic structure; atomic structure characteristic; Dielectric material; dielectric materials; dielectric properties; dielectric property; Di‐electric property; electromagnetic field quantized structure; First‐principle; Inversion design; material design; material property calculation; optic field quantized structure; quantized polarization theory; 介电材料; 反演模型; 性能计算; 第一原理; 第一性原理; 结构特征; 设计思想; 设计方法; Inversion design; Di-electric property; First-principle; Dielectric material
• ISSN: 1022-4653; 2075-5597
• DOI: 10.1049/cje.2016.10.027

The first-principle is an effective method for the material property calculation. One inversion design idea of dielectric material based on the first-principle was put forward. In this kind of material design thought,the specific demanded dielectric property of material is the starting point of the whole design course. The atomic structure characteristic of the material is solved using the inversion model based on the first-principle. And the key issues needing researching were discussed, these problems were quantized structure of electromagnetic and optic field,the quantized polarization theory of dielectric material, the uniform calculation method of dielectric property and the dielectric material inversion model.