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URN etd-0630113-130831
Author Chia-Hsiu Hsu
Author's Email Address shgosh2001@yahoo.com.tw
Statistics This thesis had been viewed 5348 times. Download 213 times.
Department Physics
Year 2012
Semester 2
Degree Ph.D.
Type of Document
Language English
Title Atomic and electronic structures of layered structures formed on the Si(111) and SiC(0001) surfaces: a first-principles study
Date of Defense 2013-06-20
Page Count 75
Keyword
  • Si(111)
  • SiC(0001)
  • graphene
  • band structure
  • first-principles
  • surface reconstruction
  • Abstract Atomic and electronic structures of metal overlayers on the Si(111) surface were
    studied by first-principles calculations. For the one-dimensional metal atomic wires
    on Si(111), we first revisited and examined the models with a honeycomb chain
    feature for the Au/Si(111)-(5×2) surface reconstruction systematically. Our newly
    identified model reproduces certain key features in the angle-resolved photoemission
    spectroscopy (ARPES) measurement and experimental scanning tunneling microscope
    (STM) images. Next, similarly structural models for the Ag/Si(111)-c(12×2)
    phase were also identified from a systematic search. The mechanisms of phase transitions from 3×1 to 6×1 and from 6×1 to c(12×2) have also been examined. The
    simulated STM images of this c(12×2) model is in excellent agreement with the experimental STM images. On the other hand, for two dimensional metal overlayers
    grown on Si(111), the band structures of Pb/Si(111)-√7×√3 surface reconstruction
    were analyzed in detail, and are in good agreement with the identified bands in the
    experimental study. Finally, we discuss the 2×2 graphene on SiC(0001)-√3×√3.
    It becomes a buffer layer when graphene growth on SiC(0001) suface, and the Dirac
    point of graphene will disappear. However, by intercalating Bi or Sb layer to become
    a buffer layer make the Dirac cone of graphene will preserved. On the other hand,
    for the Bi and Sb buffer layer the π and π* bands of the graphene exhibit spin–orbit
    (SO) splitting will be shown.
    Advisory Committee
  • Chien-Cheng Kuo - chair
  • Wen-Jay Lee - co-chair
  • Wei-Feng Tsai - co-chair
  • Ya-Ping Chiu - co-chair
  • Feng-Chuan Chuang - advisor
  • Files
  • etd-0630113-130831.pdf
  • indicate access worldwide
    Date of Submission 2013-07-30

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