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https://hdl.handle.net/10119/12909
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| Title: | Avoiding critical-point phonon instabilities in two-dimensional materials: The origin of the stripe formation in epitaxial silicene |
| Authors: | Lee, Chi-Cheng
Fleurence, Antoine
Friedlein, Rainer
Yamada-Takamura, Yukiko
Ozaki, Taisuke |
| Issue Date: | 2014-12-01 |
| Publisher: | American Physical Society |
| Magazine name: | Physical Review B |
| Volume: | 90 |
| Number: | 24 |
| Start page: | 241402-1 |
| End page: | 241402-5 |
| DOI: | 10.1103/PhysRevB.90.241402 |
| Abstract: | The origin of the large-scale stripe pattern of epitaxial silicene on the ZrB_2(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. |
| Rights: | Chi-Cheng Lee, Antoine Fleurence, Rainer Friedlein, Yukiko Yamada-Takamura, and Taisuke Ozaki, Physical Review B, 90(24), 2014, 241402-1-241402-5. Copyright 2014 by the American Physical Society. http://dx.doi.org/10.1103/PhysRevB.90.241402 |
| URI: | https://hdl.handle.net/10119/12909 |
| Material Type: | publisher |
| Appears in Collections: | c10-1. 雑誌掲載論文 (Journal Articles)
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