Zhongqin Zhang† , Jiaqi Dai† , Cong Wang , Hua Zhu , Fei Pang , Zhihai Cheng, and Wei Ji*
Abstract:
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.
Interlayer coupling plays a critical role in tuning the electronic structures and magnetic ground states of two-dimensional materials, influenced by the number of layers, interlayer distance, and stacking order. However, its effect on the orientation of the magnetic easy axis remains underexplored. In this study, we demonstrate that interlayer coupling can significantly alter the magnetic easy-axis orientation, as shown by the magnetic easy-axis of monolayer 1T-MnSe2 tilting 33° from the z-axis, while aligning with the z-axis in the bilayer. This change results from variations in orbital occupations near the Fermi level, particularly involving nonmetallic Se atoms. Contrary to the traditional focus on magnetic metal atoms, our findings reveal that Se orbitals play a key role in influencing the easy-axis orientation and topological Chern numbers. Furthermore, we show that the occupation of Se p-orbitals, and consequently the magnetic anisotropy, can be modulated by factors such as stacking order, charge doping, and external strain. Our results highlight the pivotal role of interlayer coupling in tuning the magnetic properties of layered materials, with important implications for spintronic applications.
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.
Haixia Cheng, Xu Sun, Jun Zhou*, Shijie Wang, Hang Su*, and Wei Ji*
Abstract:
Ferroelectric Rashba semiconductors (FRS) are highly demanded for their potential capability for nonvolatile electric control of electron spins. An ideal FRS is characterized by a combination of room temperature ferroelectricity and a strong Rashba effect, which has, however, been rarely reported. Herein, we designed a room-temperature FRS by vertically stacking a Sb monolayer on a room-temperature ferroelectric In2Se3 monolayer. Our first-principles calculations reveal that the Sb/In2Se3 heterostructure exhibits a clean Rashba splitting band near the Fermi level and a strong Rashba effect coupled to the ferroelectric order. Switching the electric polarization direction enhances the Rashba effect, and the flipping is feasible with a low energy barrier of 22 meV. This Rashba–ferroelectricity coupling effect is robust against changes of the heterostructure interfacial distance and external electric fields. Such a nonvolatile electrically tunable Rashba effect at room temperature enables potential applications in next-generation data storage and logic devices operated under small electrical currents.
