Stacking-dependent topological electronic structures in honeycomb-kagome heterolayers
Source abstract
Abstract
Heterostructures of stacked two-dimensional lattices have shown great promise for engineering novel material properties. As an archetypal example of such a system, the hexagon-shared honeycomb-kagome lattice has been experimentally synthesized in various material platforms. In this work, we explore three rotationally symmetric variants of the honeycomb-kagome lattice: the hexagonal , triagonal , and biaxial phases. While the triagonal and biaxial phases exhibit trivial insulating and Dirac semimetal band structures, respectively, the hexagonal phase hosts a higher-order topological phase driven by band inversion near the Γ -point. This highlights a key distinction from the conventional band inversions at the K -point observed in hexagonal homobilayer systems. Furthermore, we demonstrate how the distinct topological properties of these phases result in network band structures within moiré heterostructures formed by twisted or lattice-mismatched HK systems. These network band structures can be experimentally observed through extrinsic twisting or intrinsic lattice mismatch between the honeycomb and kagome systems.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Advanced Condensed Matter Physics · Covalent Organic Framework Applications · 2D Materials and Applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (45)
Show source-provided references
1. Geim, A. K. & Grigorieva, I. V. Van der waals heterostructures. Nature 499, 419–425 (2013).10.1038/nature12385 ↗
2. Terrones, H., López-Urías, F. & Terrones, M. Novel hetero-layered materials with tunable direct band gaps by sandwiching different metal disulfides and diselenides. Sci. Rep. 3, 1549 (2013).10.1038/srep01549 ↗
3. Novoselov, K. S., Mishchenko, A., Carvalho, A. & Neto, A. H. C. 2d materials and van der waals heterostructures. Science 353, aac9439 (2016).10.1126/science.aac9439 ↗
4. Li, M.-Y., Chen, C.-H., Shi, Y. & Li, L.-J. Heterostructures based on two-dimensional layered materials and their potential applications. Mater. Today 19, 322–335 (2016).10.1016/j.mattod.2015.11.003 ↗
5. Castellanos-Gomez, A. et al. Van der waals heterostructures. Nat. Rev. Methods Prim. 2, 58 (2022).10.1038/s43586-022-00139-1 ↗
6. Zhang, B., Lu, P., Tabrizian, R., Feng, P. X.-L. & Wu, Y. 2d magnetic heterostructures: spintronics and quantum future. npj Spintronics 2, 6 (2024).10.1038/s44306-024-00011-w ↗
7. Lu, J.-L. et al. Two-dimensional node-line semimetals in a honeycomb-kagome lattice*. Chin. Phys. Lett. 34, 057302 (2017).10.1088/0256-307X/34/5/057302 ↗
8. Zhou, L., Yang, F., Zhang, S. & Zhang, T. Chemical rules for stacked kagome and honeycomb topological semimetals. Adv. Mater. 36, 2309803 (2024).10.1002/adma.202309803 ↗
9. Wang, Z. F., Liu, Z. & Liu, F. Quantum anomalous hall effect in 2d organic topological insulators. Phys. Rev. Lett. 110, 196801 (2013).10.1103/PhysRevLett.110.196801 ↗
10. Zhang, B., Deng, F., Chen, X., Lv, X. & Wang, J. Quantum anomalous hall effect in m2x3 honeycomb kagome lattice. J. Phys. Condens. Matter 34, 475702 (2022).10.1088/1361-648X/ac9502 ↗
11. Li, P., Ma, Y., Zhang, Y. & Guo, Z.-X. Room temperature quantum anomalous hall insulator in a honeycomb-kagome lattice, Ta2O3, with huge magnetic anisotropy energy. ACS Appl. Electron. Mater. 3, 1826–1833 (2021).10.1021/acsaelm.1c00085 ↗
12. Pan, H. et al. Half-metallicity in a honeycomb-kagome-lattice mg3c2 monolayer with carrier doping. Phys. Chem. Chem. Phys. 20, 14166–14173 (2018).10.1039/C8CP01727A ↗
13. Wang, A., Zhang, X., Feng, Y. & Zhao, M. Chern insulator and chern half-metal states in the two-dimensional spin-gapless semiconductor mn2c6s12. J. Phys. Chem. Lett. 8, 3770–3775 (2017).10.1021/acs.jpclett.7b01187 ↗
14. Shao, S., Liang, L., Hu, J.-H., Poo, Y. & Wang, H.-X. Topological edge and corner states in honeycomb-kagome photonic crystals. Opt. Express 31, 17695–17708 (2023).10.1364/OE.489523 ↗
15. Zhang, B., Zheng, F., Chen, X., Deng, F. & Wang, J. Anomalous valley hall effect induced by sublattice symmetry breaking in abX3 honeycomb kagomé lattice. Phys. Rev. B 108, 045146 (2023).10.1103/PhysRevB.108.045146 ↗
16. Sang, P. et al. Semiconducting silicene: a two-dimensional silicon allotrope with hybrid honeycomb-kagome lattice. ACS Mater. Lett. 3, 1181–1188 (2021).10.1021/acsmaterialslett.1c00259 ↗
17. Xing, J., Jiang, X., Liu, Z., Qi, Y. & Zhao, J. Robust Dirac spin gapless semiconductors in a two-dimensional oxalate based organic honeycomb-kagome lattice. Nanoscale 14, 2023–2029 (2022).10.1039/D1NR07076B ↗
18. Li, H., Xu, Y., Sun, X. & Wang, S. Mg3x2 (x= c, si) monolayer in a honeycomb-kagome lattice: a global minimum structure. J. Alloy. Compd. 765, 969–976 (2018).10.1016/j.jallcom.2018.06.293 ↗
19. Lu, Y. et al. Tunable topological electronic states in the honeycomb-kagome lattices of nitrogen/oxygen-doped graphene nanomeshes. Nanoscale Adv. 4, 2201–2207 (2022).10.1039/D2NA00132B ↗
20. Ma, Y., Dai, Y., Li, X., Sun, Q. & Huang, B. Prediction of two-dimensional materials with half-metallic Dirac cones: Ni2c18h12 and co2c18h12. Carbon 73, 382–388 (2014).10.1016/j.carbon.2014.02.080 ↗
21. Wei, L., Zhang, X. & Zhao, M. Spin-polarized Dirac cones and topological nontriviality in a metal-organic framework ni2c24s6h12. Phys. Chem. Chem. Phys. 18, 8059–8064 (2016).10.1039/C6CP00368K ↗
22. Wu, X., Feng, Y., Li, S., Zhang, B. & Gao, G. 2d mn2c6se12 and mn2c6s6se6: intrinsic room-temperature dirac spin gapless semiconductors and perfect spin transport properties. J. Phys. Chem. C. 124, 16127–16135 (2020).10.1021/acs.jpcc.0c04786 ↗
23. Maimaiti, W., Dietz, B. & Andreanov, A. Microwave photonic crystals as an experimental realization of a combined honeycomb-kagome lattice. Phys. Rev. B 102, 214301 (2020).10.1103/PhysRevB.102.214301 ↗
24. Another interesting case is the hybridization between the honeycomb conduction band and the kagome valence band, which includes the quadratic touching flat band. The presence of the flat band renders the hybridization process more intricate, however we can interpreted the electronic structure of the other case using the same Dirac cone dynamics [See supplementary materials].
25. Benalcazar, W. A., Li, T. & Hughes, T. L. Quantization of fractional corner charge in Cn-symmetric higher-order topological crystalline insulators. Phys. Rev. B 99, 245151 (2019).10.1103/PhysRevB.99.245151 ↗
26. Urko P. et al. Two-dimensional topological quantum chemistry and catalog of topological materials. 2411.08950. (2024).
27. et al., Y. J. 2d theoretically twistable material database 2411.09741. (2024).
28. Mounet, N. et al. Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds. Nat. Nanotechnol. 13, 246–252 (2018).10.1038/s41565-017-0035-5 ↗
29. Campi, D., Mounet, N., Gibertini, M., Pizzi, G. & Marzari, N. Expansion of the materials cloud 2d database. ACS Nano 17, 11268–11278 (2023).10.1021/acsnano.2c11510 ↗
30. Galdecki, Z. & Jozefowicz, E. Crystal structure of potassium iododiarsenaite k as4o6 i and some analogous compounds. Lodzkie Tow. Nauk. Pr. Wydz. Nauk Mat. Przyr. 9, 5–24 (1964).
31. Pertlik, F. The compounds kas4o6x (x=cl, br, i) and nh4as4o6x (x=br, i): hydrothermal syntheses and structure determinations. Monatshefte Chem. Chem. Month. 119, 451–456 (1988).10.1007/BF00810425 ↗
32. Wang, P. et al. Experimental observation of electronic structures of kagome metal YCr6Ge6. Chin. Phys. Lett. 37, 087102–087102 (2020).10.1088/0256-307X/37/8/087102 ↗
33. Guo, Y. et al. Ubiquitous flat bands in a Cr-based kagome superconductor 2406.05293. (2024).
34. Xu, C. et al. Alternagnetic ground state in distorted kagome metal cscr3sb5. Nat. Commun. 16, 3114 (2025).10.1038/s41467-025-58446-6 ↗
35. Jung, J. & MacDonald, A. H. Tight-binding model for graphene π-bands from maximally localized Wannier functions. Phys. Rev. B 87, 195450 (2013).10.1103/PhysRevB.87.195450 ↗
36. Wu, X. et al. Recent advances on tuning the interlayer coupling and properties in van der Waals heterostructures. Small 18, 2105877 (2022).10.1002/smll.202105877 ↗
37. Qiao, W. et al. Interlayer coupling and pressure engineering in bilayer MoS2. Crystals 126, 242105 (2022).10.3390/cryst12050693 ↗
38. Li, M., Fan, Q., Gao, L., Liang, K. & Huang, Q. Chemical intercalation of layered materials: from structure tailoring to applications. Adv. Mater. 36, 2312918 (2024).10.1002/adma.202312918 ↗
39. Liu, Y. et al. Precision intercalation of organic molecules in 2d layered materials: from interface chemistry to low-dimensional physics. Precis. Chem. 3, 51–71 (2025).10.1021/prechem.4c00084 ↗
40. Jiao, C., Pei, S., Wu, S., Wang, Z. & Xia, J. Tuning and exploiting interlayer coupling in two-dimensional van der waals heterostructures. Rep. Prog. Phys. 86, 114503 (2023).10.1088/1361-6633/acfe89 ↗
41. Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169–11186 (1996).10.1103/PhysRevB.54.11169 ↗
42. Monkhorst, H. J. & Pack, J. D. Special points for Brillouin-zone integrations. Phys. Rev. B 13, 5188 (1976).10.1103/PhysRevB.13.5188 ↗
43. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996).10.1103/PhysRevLett.77.3865 ↗
44. Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758–1775 (1999).10.1103/PhysRevB.59.1758 ↗
45. Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953–17979 (1994).10.1103/PhysRevB.50.17953 ↗