Title :
Vacancy At Si-SiO2 Interface: Ab-Initio Study
Author :
Kirichenko, Taras A. ; Yu, Decai ; Hwang, Gyenong S. ; Banerjee, Sanjay K.
Author_Institution :
Freescale Semicond. Inc., Austin Silicon Technol. Solutions, TX
Abstract :
Using density functional theory calculations within the generalized gradient approximation we have examined structure and dynamics of neutral Si vacancies at Si/SiO2 interface. We show that Si/SiO2 interface may serve as a limited sink for Si vacancies. Single vacancy and vacancy cluster defects are substantially more stable at c-Si/a-SiO2 interface compared to the bulk c-Si layers away from interface, mainly due to termination of dangling bonds with bridging O atoms and reduction of interface strain
Keywords :
ab initio calculations; density functional theory; elemental semiconductors; interface structure; semiconductor-insulator boundaries; silicon; silicon compounds; vacancies (crystal); Si-SiO2; ab-initio study; dangling bonds; density functional theory; generalized gradient approximation; interface strain; interface structure; vacancy cluster defects; Amorphous materials; Atomic layer deposition; Capacitive sensors; Chemical engineering; Chemical technology; Density functional theory; Network topology; Silicon; Surface treatment; Temperature; Si; SiO2; diffusion vacancy; interface; point defects;
Conference_Titel :
Simulation of Semiconductor Processes and Devices, 2006 International Conference on
Conference_Location :
Monterey, CA
Print_ISBN :
1-4244-0404-5
DOI :
10.1109/SISPAD.2006.282859
