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一种新型铁电移相器材料的第一性原理计算
引用本文:张杨,张良俊,侍述海,姜伟,叶舟,吕宇宙.一种新型铁电移相器材料的第一性原理计算[J].上海航天,2018(6):122-128.
作者姓名:张杨  张良俊  侍述海  姜伟  叶舟  吕宇宙
作者单位:上海航天电子通讯设备研究所,上海 201109,上海航天电子通讯设备研究所,上海 201109,上海航天电子通讯设备研究所,上海 201109,上海航天电子通讯设备研究所,上海 201109,上海航天电子通讯设备研究所,上海 201109,上海航天电子通讯设备研究所,上海 201109
摘    要:铁电薄膜移相器是基于铁电材料的新型移相器,被广泛应用于相控阵天线中。对于这类移相器组成材料的性能改进一直是雷达系统在军事、航天等领域的研究热点之一。基于第一性原理密度泛函理论,综合分析了ABi2Nb2O9(A=Ba, Pb, Sr, Ca)材料的电子属性、化学键和极化属性。结果表明:这种体系有着类似的铁电性起源;Nb—O和Bi—O间的杂化对于系统的畸变和铁电相的稳定起着重要作用;随着A位离子半径的增大,体系的畸变参数也随之增大,导致材料有更大的自发极化,增强了铁电移相器的性能。实验结果验证了理论计算的正确性,为新型铁电移相器的研发奠定了基础。

关 键 词:移相器    铁电材料    铁电相    第一性原理    密度泛函理论    电子性质    态密度
收稿时间:2018/9/16 0:00:00
修稿时间:2018/10/16 0:00:00

First Principles Study on New Ferroelectric Phase Shifter Material
ZHANG Yang,ZHANG Liangjun,SHI Shuhai,JIANG Wei,YE Zhou and LYU Yuzhou.First Principles Study on New Ferroelectric Phase Shifter Material[J].Aerospace Shanghai,2018(6):122-128.
Authors:ZHANG Yang  ZHANG Liangjun  SHI Shuhai  JIANG Wei  YE Zhou and LYU Yuzhou
Institution:Shanghai Aerospace Electronic Technology Institute, Shanghai 201109, China,Shanghai Aerospace Electronic Technology Institute, Shanghai 201109, China,Shanghai Aerospace Electronic Technology Institute, Shanghai 201109, China,Shanghai Aerospace Electronic Technology Institute, Shanghai 201109, China,Shanghai Aerospace Electronic Technology Institute, Shanghai 201109, China and Shanghai Aerospace Electronic Technology Institute, Shanghai 201109, China
Abstract:Ferrite is a ceramic composite oxide with ferromagnetic properties, which causes Faraday rotation and other nonreciprocal properties when interacting with microwaves. Therefore, it has been widely used in phased array radar. As a device that can adjust the wave phase, the phase shifter has a wide range of applications in the field of radar. In this paper, the electronic properties, chemical bonds and polarization properties of ABi2Nb2O9 (A=Ba, Pb, Sr, Ca) system, which is the basic material of the ferrite phase shifter, are analyzed based on the first principles density functional theory (DFT). According to the results of the analysis, this system has similar ferroelectric origin. Some structures within the hybrid system play an important role in the distortion of the system and the stability of the ferroelectric phase. Moreover, this paper presents the changes of the distortion parameters based on different A-site ions, and verifies the correctness of the theoretical calculation by making a comparison with the experimental results. This work provides a theoretical basis for the development of new ferroelectric phase shifters.
Keywords:phase shifter  ferroelectric material  ferroelectric phase  first principles  density functional theory(DFT)  electronic properties  density of states
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