Oxygen Vacancy Formation in Charged HfO2: An Ab Initio Study

被引：1
|
作者：
Xia, Wentai [1 ]
Cao, Jifang [1 ]
Liu, Dong [1 ]
机构：
[1] Zhejiang Univ, Hangzhou, Peoples R China
来源：
2022 INTERNATIONAL CONFERENCE ON IC DESIGN AND TECHNOLOGY (ICICDT) | 2022年
基金：
中国国家自然科学基金;
关键词：
RRAM; HfO2; oxygen vacancy; formation energy;
D O I：
10.1109/ICICDT56182.2022.9933066
中图分类号：
TP3 [计算技术、计算机技术];
学科分类号：
0812 ;
摘要：
In this work, the formation energy of oxygen vacancies in charged HfO2 has been studied. We used ab initio simulation tools to calculate the free energies of the system with different local charging property before and after the oxygen vacancies formation. It is found that vacancies tend to be formed from a negatively charged Hf-O bond in HfO2.
引用
收藏
页码：16 / 19
页数：4
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