English  |  正體中文  |  简体中文  |  全文筆數/總筆數 : 62797/95867 (66%)
造訪人次 : 3743712      線上人數 : 576
RC Version 7.0 © Powered By DSPACE, MIT. Enhanced by NTU Library & TKU Library IR team.
搜尋範圍 查詢小技巧:
  • 您可在西文檢索詞彙前後加上"雙引號",以獲取較精準的檢索結果
  • 若欲以作者姓名搜尋,建議至進階搜尋限定作者欄位,可獲得較完整資料
  • 進階搜尋
    請使用永久網址來引用或連結此文件: https://tkuir.lib.tku.edu.tw/dspace/handle/987654321/117171


    題名: First-principles study on competing phases of silicene: Effect of substrate and strain
    作者: Lee, Chi-Cheng;Fleurence, Antoine;Friedlein, Rainer;Yukiko, Yamada-Takamura;Ozaki, Taisuke
    日期: 2013-10-04
    上傳時間: 2019-10-01 12:10:20 (UTC+8)
    摘要: The stability and electronic structure of competing silicene phases under in-plane compressive stress, either free-standing or on the ZrB
    2
    (0001) surface, has been studied by first-principles calculations. A particular (

    3
    ×

    3
    )-reconstructed structural modification was found to be stable on the ZrB
    2
    (0001) surface under epitaxial conditions. In contrast to the planar and buckled forms of free-standing silicene, in this “planar-like” phase, all but one of the Si atoms per hexagon reside in a single plane. While without substrate, for a wide range of strain, this phase is energetically less favorable than the buckled one, it is calculated to represent the ground state on the ZrB
    2
    (0001) surface. The atomic positions are found to be determined by the interactions with the nearest-neighbor Zr atoms competing with Si-Si bonding interactions provided by the constraint of the honeycomb lattice.
    關聯: Phys. Rev. B 88(16), p.165404
    DOI: 10.1103/PhysRevB.88.165404
    顯示於類別:[物理學系暨研究所] 期刊論文

    文件中的檔案:

    檔案 描述 大小格式瀏覽次數
    First-principles study on competing phases of silicene Effect of substrate and strain.pdf6855KbAdobe PDF1檢視/開啟
    index.html0KbHTML81檢視/開啟

    在機構典藏中所有的資料項目都受到原著作權保護.

    TAIR相關文章

    DSpace Software Copyright © 2002-2004  MIT &  Hewlett-Packard  /   Enhanced by   NTU Library & TKU Library IR teams. Copyright ©   - 回饋