氧化铝中氧空位形成能的掺杂调制  

Doped Modulation of Oxygen Vacancy Formation Energy in Alumina

作　　者：段伟杰 王冬迎 杨毅[1] DUAN Wei-jie;WANG Dong-ying;YANG Yi(School of Computational Science and Electronics,Hunan Institute of Engineering,Xiangtan 411104,China)

机构地区：[1]湖南工程学院计算科学与电子学院,湘潭411104

出　　处：《湖南工程学院学报（自然科学版）》2021年第3期63-66,共4页Journal of Hunan Institute of Engineering(Natural Science Edition)

基　　金：湖南省教育厅一般项目(19C0466);湖南工程学院国家基金预研项目(YY2011);湖南工程学院博士启动基金项目(20033).

摘　　要：采用第一性原理计算结合原子替位掺杂的方法,研究原子掺杂效应对氧空位形成能的影响.通过计算发现,在氧化铝中进行金属原子替位掺杂可以显著降低氧空位的形成能,有利于形成局部的电阻退化,使氧化铝成为潜在的阻变功能材料.对氧化铝基阻变存储器件的设计、制备及其在新型存储器件领域的应用具有参考价值.Resistive switching process in materials modulated by the formation energy of defects is very im-portant for the research and application of resistive switching functional materials.In this paper,the effect of atomic doping on the formation energy of oxygen vacancy is studied by using the first principles calculation combining with atomic substitution doping.It is found that metal atom substitution doping in alumina can sig-nificantly reduce the formation energy of oxygen vacancy,which is conducive to the formation of local resis-tance degradation,making alumina become a potential resistive switching functional material.The resuct has a very positive theoretical significance for the design,fabrication of alumina based resistive switching memo-ry devices and its application for new memory devices.

关 键 词：阻变存储器 氧化铝 掺杂 氧空位 形成能 

分 类 号：O469[理学—凝聚态物理]