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| Main Authors: | , , , , , , , , |
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| Format: | Preprint |
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2026
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2603.07164 |
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| _version_ | 1866915861064843264 |
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| author | Gao, Jin Chen, Rongrong Yang, Lei Huang, Zixiong Liu, Dingzhao Jia, ChengLong Xi, Li Xue, Desheng Tao, Kun |
| author_facet | Gao, Jin Chen, Rongrong Yang, Lei Huang, Zixiong Liu, Dingzhao Jia, ChengLong Xi, Li Xue, Desheng Tao, Kun |
| contents | Unlike conventional approaches where topological order is statically fixed post-synthesis, we demonstrate that a single external knob-strain-can independently modulate topological order and functional responses in the Tc-adsorbed penta-hexa silicene (Tc_PH-Si) monolayer, with both properties governed by a single microscopic mechanism: momentum-space orbital-selective engineering of Tc-dxz_Si-px hybridization. Combining first-principles calculations and tight-binding models, we show that biaxial strain drives a complete topological pathway: C=1 (0) to C=0 (-2) to C = -1 (-3 to -4) to C = 0 metallic state (-6). This is exemplified by two pivotal states: a topologically critical point yet functionally optimal state at -2 strain (C=0) hosting a direct bandgap (0.17 eV) and d11 = 8.34 pm_V, and a topologically nontrivial but equally optimal state at -4 strain (C = -1) with d11 = 11.01 pm_V-three times that of MoS2. Berry curvature analysis reveals that functionality arises from local orbital hybridization strength, while topology originates from its global phase distribution. This establishes a new paradigm for materials design, transforming static functional materials into dynamically tunable quantum platforms. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2603_07164 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Orbital-Selective Engineering of Strain-Tunable Chern Insulators in Momentum Space Gao, Jin Chen, Rongrong Yang, Lei Huang, Zixiong Liu, Dingzhao Jia, ChengLong Xi, Li Xue, Desheng Tao, Kun Materials Science Unlike conventional approaches where topological order is statically fixed post-synthesis, we demonstrate that a single external knob-strain-can independently modulate topological order and functional responses in the Tc-adsorbed penta-hexa silicene (Tc_PH-Si) monolayer, with both properties governed by a single microscopic mechanism: momentum-space orbital-selective engineering of Tc-dxz_Si-px hybridization. Combining first-principles calculations and tight-binding models, we show that biaxial strain drives a complete topological pathway: C=1 (0) to C=0 (-2) to C = -1 (-3 to -4) to C = 0 metallic state (-6). This is exemplified by two pivotal states: a topologically critical point yet functionally optimal state at -2 strain (C=0) hosting a direct bandgap (0.17 eV) and d11 = 8.34 pm_V, and a topologically nontrivial but equally optimal state at -4 strain (C = -1) with d11 = 11.01 pm_V-three times that of MoS2. Berry curvature analysis reveals that functionality arises from local orbital hybridization strength, while topology originates from its global phase distribution. This establishes a new paradigm for materials design, transforming static functional materials into dynamically tunable quantum platforms. |
| title | Orbital-Selective Engineering of Strain-Tunable Chern Insulators in Momentum Space |
| topic | Materials Science |
| url | https://arxiv.org/abs/2603.07164 |