Two-dimensional Kagome Materials: Theoretical Insights, Experimental Realizations, and Electronic Structures

Two-dimensional Kagome Materials: Theoretical Insights, Experimental Realizations, and Electronic Structures

Zhongqin Zhang† , Jiaqi Dai† , Cong Wang , Hua Zhu , Fei Pang , Zhihai Cheng, and Wei Ji*

In recent years, kagome materials have attracted significant attention due to their rich emergent phenomena arising from the quantum interplay of geometry, topology, spin, and correlations. However, in the search for kagome materials, it has been found that bulk compounds with electronic properties related to the kagome lattice are relatively scarce, primarily due to the hybridization of kagome layers with adjacent layers. Therefore, researchers have shown increasing interest in the construction of twodimensional (2D) kagome materials, aiming to achieve clean kagome bands near the Fermi level in monolayer or few-layer systems. Substantial advancements have already been made in this area. In this review, we summarize the current progress in the construction and development of 2D kagome lattices. We begin by introducing the geometric and electronic structures of the kagome lattice and its variants. This is followed by a discussion on the experimental realizations and electronic structure characterizations of 2D kagome materials. Finally, we provide an outlook on the future development of 2D kagome lattices.

Kagome bands and magnetism in MoTe2-x kagome monolayers

Kagome bands and magnetism in MoTe2-x kagome monolayers

Jiaqi Dai, Zhongqin Zhang, Zemin Pan, Cong Wang, Chendong Zhang*, Zhihai Cheng,  and Wei Ji*

Kagome lattices facilitate various quantum phases, yet in bulk materials, their kagome flat-bands often interact with bulk bands, suppressing kagome electronic characteristics for hosting these phases. Here, we use density-functional-theory calculations to predict the geometric and electronic structures, as well as the topological and magnetic properties, of a series of MoTe2-x kagome monolayers formed by mirror-twin-boundary (MTB) loops. We analyze nine MTB-loop configurations of varying sizes and arrangements to assess their impact on various properties. Within the intrinsic bandgap of MoTe2, we identify two sets of kagome bands, originating from in-plane and out-of-plane Te p-orbitals at MTB-loop edges and -vertices, respectively. Three configurations exhibit superior stability, while three others show comparable stability. Among these, four display bandgaps and potentially non-zero Z2 topological invariants, suggesting possible topological phases, while the remaining two are metallic and feature Stoner magnetization. These findings guide the design of kagome-based two-dimensional materials with tunable electronic, topological, and magnetic properties.

Electronic Janus lattice and kagome-like bands in coloring-triangular MoTe2 monolayers

Electronic Janus lattice and kagome-like bands in coloring-triangular MoTe2 monolayers

Nature Communications 14, 6320 (2023).

Le Lei#, Jiaqi Dai#, Haoyu Dong#, Yanyan Geng, Feiyue Cao, Cong Wang, Rui Xu, Fei Pang, Zheng-Xin Liu, Fangsen Li, Zhihai Cheng*, Guang Wang* and Wei Ji*

Abstract: Polymorphic structures of transition metal dichalcogenides (TMDs) host exotic electronic states, like charge density wave and superconductivity. However, the number of these structures is limited by crystal symmetries, which poses a challenge to achieving tailored lattices and properties both theoretically and experimentally. Here, we report a coloring triangle (CT) latticed MoTe2 monolayer, termed CT-MoTe2, constructed by controllably introducing uniform and ordered mirror-twin-boundaries into a pristine monolayer in molecular beam epitaxy. Low-temperature scanning tunneling microscopy and spectroscopy (STM/STS) together with theoretical calculations reveal that the monolayer has an electronic Janus lattice, i.e., an energy-dependent atomic-lattice and a Te pseudo-sublattice, and shares the identical geometry with the Mo5Te8 layer. Dirac-like and flat electronic bands inherently existing in the CT lattice are identified by two broad and two prominent peaks in STS spectra, respectively, and verified with density-functional-theory calculations. Two types of intrinsic domain boundaries were observed, one of which the electronic-Janus-lattice feature maintains, implying potential applications as an energy-tunable electron-tunneling barrier in future functional devices.

DOI: 10.1038/s41467-023-42044-5; arXiv:2302.06166

Discovery and construction of surface kagome electronic states induced by p-d electronic hybridization in Co3Sn2S

Discovery and construction of surface kagome electronic states induced by p-d electronic hybridization in Co3Sn2S

Nature Communications 14, 5230 (2023)

Li Huang#, Xianghua Kong#, Qi Zheng#, Yuqing Xing#, Hui Chen, Yan Li, Zhixin Hu, Shiyu Zhu, Jingsi Qiao, Yu-Yang Zhang, Haixia Cheng, Zhihai Cheng, Xianggang Qiu, Enke Liu, Hechang Lei, Xiao Lin, Ziqiang Wang, Haitao Yang*, Wei Ji*, Hong-Jun Gao*

Kagome-lattice materials possess attractive properties for quantum computing applications, but their synthesis remains challenging. Herein, based on the compelling identification of the two cleavable surfaces of Co3Sn2S2, we show surface kagome electronic states (SKESs) on a Sn-terminated triangular Co3Sn2S2 surface. Such SKESs are imprinted by vertical p-d electronic hybridization between the surface Sn (subsurface S) atoms and the buried Co kagome-lattice network in the Co3Sn layer under the surface. Owing to the subsequent lateral hybridization of the Sn and S atoms in a corner-sharing manner, the kagome symmetry and topological electronic properties of the Co3Sn layer is proximate to the Sn surface. The SKESs and both hybridizations were verified via qPlus non-contact atomic force microscopy (nc-AFM) and density functional theory calculations. The construction of SKESs with tunable properties can be achieved by the atomic substitution of surface Sn (subsurface S) with other group III-V elements (Se or Te), which was demonstrated theoretically. This work exhibits the powerful capacity of nc-AFM in characterizing localized topological states and reveals the strategy for synthesis of large-area transition-metal-based kagome-lattice materials using conventional surface deposition techniques.