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

Ryota Kanakogi, Masanori Miura, Yuuichi Orimoto, Yuriko Aoki

    Research output: Contribution to conferencePaperpeer-review

    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 languageEnglish
    Pages942
    Number of pages1
    Publication statusPublished - 2005
    Event54th SPSJ Annual Meeting 2005 - Yokohama, Japan
    Duration: May 25 2005May 27 2005

    Other

    Other54th SPSJ Annual Meeting 2005
    CountryJapan
    CityYokohama
    Period5/25/055/27/05

    All Science Journal Classification (ASJC) codes

    • Engineering(all)

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