掺杂剂
四方晶系
兴奋剂
材料科学
杂质
相(物质)
凝聚态物理
化学物理
光电子学
纳米技术
计算化学
化学
物理
有机化学
作者
Yosuke Harashima,Hiroaki Koga,Zeyuan Ni,Takehiro Yonehara,Michio Katouda,Akira Notake,H. Matsui,Tsuyoshi Moriya,Mrinal Kanti,Ryu Hasunuma,Akira Uedono,Yasuteru SHIGETA
出处
期刊:IEEE Transactions on Semiconductor Manufacturing
[Institute of Electrical and Electronics Engineers]
日期:2023-01-01
卷期号:: 1-1
标识
DOI:10.1109/tsm.2023.3265658
摘要
In this study, we performed a systematic search for dopants to stabilize the tetragonal structure of HfO2 and ZrO2 by using high-throughput first-principles calculations. By exhaustively exploring all possible impurity configurations for over 12,000 systems, we obtained the expected most stable doping status for various dopants at different doping levels. The stabilization effect of dopants are investigated and compared. The results show that Si or Ge significantly stabilize the tetragonal phase.
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