| 研究生: |
詹士倫 Zhan, Shi-Lun |
|---|---|
| 論文名稱: |
藉由應變引發BiSc的拓撲相變 Strain-induced Topological Phase Transition in BiSc |
| 指導教授: |
張泰榕
Chang, Tay-Rong |
| 學位類別: |
碩士 Master |
| 系所名稱: |
理學院 - 物理學系 Department of Physics |
| 論文出版年: | 2020 |
| 畢業學年度: | 108 |
| 語文別: | 中文 |
| 論文頁數: | 41 |
| 中文關鍵詞: | 第一原理 、應變 、拓撲絕緣體 |
| 外文關鍵詞: | first-principles, strain, topological insulator |
| 相關次數: | 點閱:108 下載:8 |
| 分享至: |
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透過第一原理計算,我們研究了BiSc在不同應變下的能帶結構和拓撲不變量。我們討論的應變範圍是-5%到+5%。隨著應變增加,Γ點會打開能隙,而X點的能隙由大變小,能隙關閉後再由小變大,經歷了能帶反轉。結果,BiSc從金屬轉變為拓撲絕緣體,然後從拓撲絕緣體轉變為一般絕緣體。另一方面,我們也討論了自旋軌道耦合對不同拓撲結構的影響。隨著自旋軌道耦合的強度增加,如果X點有經歷能帶反轉,那麼就會是拓撲絕緣體,否則,就會是一般絕緣體。
Using the first-principles calculation, we studied the band structure and topological invariants of BiSc under different strains. The strain range we discussed is -5% to +5%. With further increase of the strain, the energy gap at the Γ point will open, the energy gap at the X point will decrease to zero and then increase, band inversion appears at the X point. Consequently, BiSc has undergone the transition from metal to topological insulator and topological insulator to normal insulator. On the other hand, we also discussed the effect of spin-orbit coupling on different topologies. As the spin-orbit coupling strength increases, if the X point undergoes a band inversion, then it will be a topological insulator, otherwise, it will be a normal insulator.
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校內:2023-07-10公開