ZnO非线性电阻的设计与探索:从第一原理看最近的进展  

Design and Exploration of ZnO NonlinearVaristors:Recent Progress from First Principle Prospective

作　　者：汤霖 迟旭 陈文龙 崔毓昕 赵冬一 TANG Lin;CHI Xu;CHEN Wenlong;CUI Yuxin;ZHAO Dongyi(Wuhan branch of China electric power research institute Co.,Ltd.,Wuhan 430074,China;ABB Xiamen Surge Arrestor Co.,Ltd.,Xiamen 361000,China)

机构地区：[1]中国电力科学研究院有限公司武汉分公司,武汉430074 [2]厦门ABB避雷器有限公司,厦门361000

出　　处：《电瓷避雷器》2021年第4期122-139,共18页Insulators and Surge Arresters

摘　　要：与理论计算相结合的材料设计是现代材料科学发展的一个重要方向。基于密度泛函理论的第一性原理,在ZnO非线性电阻的设计与研究领域的应用以及最新研究进展进行了梳理。共分5个方面:1)第一性原计算的背景;2)ZnO晶体及其表面的电子结构;3)ZnO晶体本征缺陷及掺杂的电子结构;4)双晶ZnO晶体界面的电子结构;5)Bi偏析ZnO晶体界面的电子结构,即双肖特基势垒(n-p-n)。随着相关理论和计算方法的发展,以及计算机性能的不断提高,对ZnO非线性电阻的基本电子特性可以通过计算直接获得。我们期望越来越多的这种材料信息学方法成功地应用于材料的实际开发中。Material design combined with theoretical calculation is an important direction in the development of modern material science.In this paper,the first principles based on density functional theory,the applications in the design and research fields of ZnO non-linear resistors and the latest research progress are reviewed.There are five aspects:1)the background of the first primitive computation.2)The electronic structure of ZnO crystal and its surface.3)The intrinsic defects and doped electronic structures of ZnO crystals.4)The electronic structure of the interface of single crystal ZnO.5)Electronic Structure of Bi Segregated ZnO Crystal Interface,i.e.double Schottky barrier(n-p-n).With the development of related theories and calculation methods,and the continuous improvement of computer performance,the basic electronic characteristics of ZnO non-linear resistance can be obtained directly by calculation.We expect that more and more materials informatics methods will be successfully applied to the practical development of materials.

关 键 词：ZnO非线性压敏电阻 第一原理 密度泛函理论 电子结构 

分 类 号：TQ132.41[化学工程—无机化工] TM54[电气工程—电器]