Vacancy At Si-SiO2 Interface: Ab-Initio Study

Vacancy At Si-SiO2 Interface: Ab-Initio Study

Using density functional theory calculations within the generalized gradient approximation we have examined structure and dynamics of neutral Si vacancies at Si/SiO 2 interface. We show that Si/SiO 2 interface may serve as a limited sink for Si vacancies. Single vacancy and vacancy cluster defects a...

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Bibliographische Detailangaben
Hauptverfasser: Kirichenko, T.A., Yu, D., Hwang, G.S., Banerjee, S.K.
Format: Tagungsbericht
Sprache:eng
Schlagworte:
Amorphous materials
Atomic layer deposition
Capacitive sensors
Chemical engineering
Chemical technology
Density functional theory
diffusion vacancy
interface
Network topology
point defects
Silicon
SiO2
Surface treatment
Temperature
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Beschreibung
Zusammenfassung:Using density functional theory calculations within the generalized gradient approximation we have examined structure and dynamics of neutral Si vacancies at Si/SiO 2 interface. We show that Si/SiO 2 interface may serve as a limited sink for Si vacancies. Single vacancy and vacancy cluster defects are substantially more stable at c-Si/a-SiO 2 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
ISSN:1946-1569
1946-1577
DOI:10.1109/SISPAD.2006.282859