A Tight Binding Method Study of Optimized $\\hbox {Si}{-} \\hbox {SiO}_{2}$ 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; $hbox{SiO}_{2}$; Band gap; Si dot; density-of-states (DOS); interfacial states; molecular dynamics; tight binding;

fLanguage

English

Journal_Title

Electron Devices, IEEE Transactions on

Publisher

ieee

ISSN

0018-9383

Type

jour

DOI

10.1109/TED.2010.2071150

Filename

5580042

A Tight Binding Method Study of Optimized System

Watanabe, Hiroshi ; Kawabata, Kenji ; Ichikawa, Takashi

jour

A Tight Binding Method Study of Optimized $\\hbox {Si}{-} \\hbox {SiO}_{2}$ System