Avoiding critical-point phonon instabilities in two-dimensional materials: The origin of the stripe formation in epitaxial silicene
學年 103
學期 1
出版（發表）日期 2014-12-01
作品名稱 Avoiding critical-point phonon instabilities in two-dimensional materials: The origin of the stripe formation in epitaxial silicene
作品名稱（其他語言）
著者 Chi-Cheng Lee; Antoine Fleurence; Rainer Friedlein; Yukiko Yamada-Takamura; Taisuke Ozaki
單位
出版者
著錄名稱、卷期、頁數 Phys. Rev. B 90(24), p.241402(R)
摘要 The origin of the large-scale stripe pattern of epitaxial silicene on the ZrB2(0001) surface observed by scanning tunneling microscopy experiments is revealed by first-principles calculations. Without stripes, the (√3×√3)-reconstructed, one-atom-thick Si layer is found to exhibit a “zero-frequency” phonon instability at the M point. In order to avoid a divergent response, the relevant phonon mode triggers the spontaneous formation of a new phase with a particular stripe pattern offering a way to lower both the atomic surface density and the total energy of silicene on the particular substrate. The observed mechanism is a way for the system to handle epitaxial strain and may therefore be more common in two-dimensional epitaxial materials exhibiting a small lattice mismatch with the substrate.
關鍵字
語言 en_US
ISSN
期刊性質 國外
收錄於 SCI
產學合作
通訊作者
審稿制度 是
國別 USA
公開徵稿
出版型式 ,電子版
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機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/117177 )