51. Distinguishing Interfacial Hole Traps in (110), (100) High-K Gate Stack
- Author
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Runsheng Wang, Yueyang Liu, Xiangwei Jiang, Wang Liwei, and Yunfei En
- Subjects
Work (thermodynamics) ,Materials science ,chemistry ,Vacancy defect ,Ab initio ,chemistry.chemical_element ,Hydrogen atom ,Trapping ,Molecular physics ,Oxygen ,Marcus theory ,High-κ dielectric - Abstract
To deeply understand the charge trapping process in high-k gate stacks, we theoretically investigate the hole trapping characteristics of interfacial oxygen vacancies in (110) and (100) Si/SiO 2 /HfO 2 stacks. Si/SiO 2 and SiO 2 /HfO 2 interfacial defects are studied, and the hole trapping rate of each defect is calculated through ab initio simulation combining density-functional theory and Marcus theory. Among the possible hole traps considered in this work, it is suggested that the oxygen vacancies at SiO 2 /HfO 2 interface are the dominant under strong negative gate bias stress, and those at Si/SiO 2 interface can be effective traps only when hydrogen atom (H) or hydroxyl (OH) is induced at the vacancy. Moreover, the most dominant hole trap among the considered traps in the (110) structure locates at the Si/SiO 2 interface, while that in the (100) structure locates at the SiO 2 /HfO 2 interface.
- Published
- 2019