[Pan, Min] Southwest Jiao Tong Univ, Superconduct & New Energy R&D Ctr, Key Lab Adv Technol Mat, Minist Educ, Chengdu 610031, Peoples R China.
通讯机构：
[HuiQiu Deng; Min Pan] S
School of Physics and Electronics, Hunan University, Changsha 410082, People’s Republic of China<&wdkj&>Superconductivity and New Energy R&D Center, Key Laboratory of Advanced Technology of Materials (Ministry of Education), Southwest Jiao Tong University, Chengdu 610031, People’s Republic of China
National MCF Energy R&D Program of China [2018YFE0308102]; National Key Research and Development Program of China [2017YFE0301404]; National Natural Science Foundation of China [11775074]
机构署名：
本校为其他机构
院系归属：
理学院
摘要：
In this study, we investigated the stability of the W/Y2O3 interface and the behaviors of He near the interface using the first-principles method. We reported that the termination structures had an essential effect on interfacial stability by calculating the adhesion energy and interface energy. The OW-terminated interface had better stability than the YW-terminated interface when O chemical potential ΔμO was larger than − 5.1 eV. The result of the segregation energy demonstrated that the W/Y2O3 interface could act as a strong trap to captur...
