Theoretical study on adsorption of Tl atoms on Si(111) surface under periodic boundary condition

Ryota Kanakogi; Masanori Miura; Yuuichi Orimoto; Yuriko Aoki

Theoretical study on adsorption of Tl atoms on Si(111) surface under periodic boundary condition

Ryota Kanakogi, Masanori Miura, Yuuichi Orimoto, Yuriko Aoki

Green Asia Education Center

Research output: Contribution to conference › Paper

Abstract

The T4site adsorption of group-13 atoms such as Al,Ga,In and Tl on Si(111) surface can be well understood as a result of formation of three bonds between a tri-valent metal atom and three Si dangling bonds, forming (√3× √3) periodicity. However, it is well known that Tl exhibits not only tri-valence but also mono-valence nature caused by relativistic effect. Therefore, there has been a growing interest in the adsorption of Tl on Si(111) surface because Tl has been known to show quite different behavior from other group-13 atoms in (1×1) surface structures at 1.0 ML. We investigated the chemisorption of Tl adatoms on Si(111) by using theoretical calculation under periodic boundary condition. Tl is found to occupy the three fold-filled sites (T4 site) in (√3×√3)-Tl surface at 1/3 ML as to other tri-valent group-13 atoms. Our calculations also show that the Tl adatoms occupy the T4 site (1×1)-Tl surface at 1.0ML.

Original language	English
Pages	942
Number of pages	1
Publication status	Published - 2005
Event	54th SPSJ Annual Meeting 2005 - Yokohama, Japan Duration: May 25 2005 → May 27 2005

Other

Other	54th SPSJ Annual Meeting 2005
Country	Japan
City	Yokohama
Period	5/25/05 → 5/27/05

All Science Journal Classification (ASJC) codes

Engineering(all)

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Kanakogi, R., Miura, M., Orimoto, Y., & Aoki, Y. (2005). Theoretical study on adsorption of Tl atoms on Si(111) surface under periodic boundary condition. 942. Paper presented at 54th SPSJ Annual Meeting 2005, Yokohama, Japan.

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title = "Theoretical study on adsorption of Tl atoms on Si(111) surface under periodic boundary condition",

abstract = "The T4site adsorption of group-13 atoms such as Al,Ga,In and Tl on Si(111) surface can be well understood as a result of formation of three bonds between a tri-valent metal atom and three Si dangling bonds, forming (√3× √3) periodicity. However, it is well known that Tl exhibits not only tri-valence but also mono-valence nature caused by relativistic effect. Therefore, there has been a growing interest in the adsorption of Tl on Si(111) surface because Tl has been known to show quite different behavior from other group-13 atoms in (1×1) surface structures at 1.0 ML. We investigated the chemisorption of Tl adatoms on Si(111) by using theoretical calculation under periodic boundary condition. Tl is found to occupy the three fold-filled sites (T4 site) in (√3×√3)-Tl surface at 1/3 ML as to other tri-valent group-13 atoms. Our calculations also show that the Tl adatoms occupy the T4 site (1×1)-Tl surface at 1.0ML.",

author = "Ryota Kanakogi and Masanori Miura and Yuuichi Orimoto and Yuriko Aoki",

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note = "54th SPSJ Annual Meeting 2005 ; Conference date: 25-05-2005 Through 27-05-2005",

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T1 - Theoretical study on adsorption of Tl atoms on Si(111) surface under periodic boundary condition

AU - Kanakogi, Ryota

AU - Miura, Masanori

AU - Orimoto, Yuuichi

AU - Aoki, Yuriko

PY - 2005

Y1 - 2005

N2 - The T4site adsorption of group-13 atoms such as Al,Ga,In and Tl on Si(111) surface can be well understood as a result of formation of three bonds between a tri-valent metal atom and three Si dangling bonds, forming (√3× √3) periodicity. However, it is well known that Tl exhibits not only tri-valence but also mono-valence nature caused by relativistic effect. Therefore, there has been a growing interest in the adsorption of Tl on Si(111) surface because Tl has been known to show quite different behavior from other group-13 atoms in (1×1) surface structures at 1.0 ML. We investigated the chemisorption of Tl adatoms on Si(111) by using theoretical calculation under periodic boundary condition. Tl is found to occupy the three fold-filled sites (T4 site) in (√3×√3)-Tl surface at 1/3 ML as to other tri-valent group-13 atoms. Our calculations also show that the Tl adatoms occupy the T4 site (1×1)-Tl surface at 1.0ML.

AB - The T4site adsorption of group-13 atoms such as Al,Ga,In and Tl on Si(111) surface can be well understood as a result of formation of three bonds between a tri-valent metal atom and three Si dangling bonds, forming (√3× √3) periodicity. However, it is well known that Tl exhibits not only tri-valence but also mono-valence nature caused by relativistic effect. Therefore, there has been a growing interest in the adsorption of Tl on Si(111) surface because Tl has been known to show quite different behavior from other group-13 atoms in (1×1) surface structures at 1.0 ML. We investigated the chemisorption of Tl adatoms on Si(111) by using theoretical calculation under periodic boundary condition. Tl is found to occupy the three fold-filled sites (T4 site) in (√3×√3)-Tl surface at 1/3 ML as to other tri-valent group-13 atoms. Our calculations also show that the Tl adatoms occupy the T4 site (1×1)-Tl surface at 1.0ML.

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