DocumentCode :
1329173
Title :
A Tight Binding Method Study of Optimized 
System
Author :
Watanabe, Hiroshi ; Kawabata, Kenji ; Ichikawa, Takashi
Author_Institution :
Dept. of Electr. Eng., Nat. Chiao Tung Univ., Hsinchu, Taiwan
Volume :
57
Issue :
11
fYear :
2010
Firstpage :
3084
Lastpage :
3091
Abstract :
A mixed method of molecular dynamics and tight binding is applied to a Si-cluster surrounded by SiO2 in order to study an influence of interfacial states on the band structure of the Si cluster. As a result, it is found that intrinsic interfacial states invade the band gaps of Si and SiO2 from the conduction band, which may suggest that the Si dot surrounded by SiO2 sounds metallic due to the interfacial states. This feature occurs while the size of the Si dot is less than at least 4 nm.
Keywords :
cluster approximation; conduction bands; electronic density of states; energy gap; interface states; molecular dynamics method; semiconductor quantum dots; silicon; silicon compounds; tight-binding calculations; Si dot size; Si-SiO2; Si-cluster; band gaps; band structure; conduction band; intrinsic interfacial states; mixed method; molecular dynamics; optimized Si--SiO2 system; tight binding method; Atomic layer deposition; Crystals; Interface states; Photonic band gap; Silicon; $hbox{SiO}_{2}$
fLanguage :
English
Journal_Title :
Electron Devices, IEEE Transactions on
Publisher :
ieee
ISSN :
0018-9383
Type :
jour
DOI :
10.1109/TED.2010.2071150
Filename :
5580042
Link To Document :
