相关论文: Computational prediction of ferromagnetic AT6X6 ka…
Competing interlayer magnetic interactions in kagome magnets can lead to diverse magnetic phases, which enable various promising topological or quantum material properties. Here, the electronic structure and magnetic properties have been…
Kagome materials manifest rich physical properties due to the emergence of abundant electronic phases. Here, we carry out a high-throughput first-principles study of the kagome 1:6:6 family MT$_6$Z$_6$ materials in space group 191, focusing…
Kagome metals are as an exciting playground for the explorations of novel phenomena at the intersection of topology, electron correlations and magnetism. The family of FeSn-based kagome magnets in particular attracted a lot of attention for…
We develop a high-throughput computational scheme based on cluster multipole theory to identify new functional antiferromagnets. This approach is applied to 228 magnetic compounds listed in the AtomWork-Adv database, known for their…
Antiferromagnetic Kagome semimetals have attracted tremendous attentions for their potential application in antiferromagnetic topological spintronics. Effectively manipulating Kagome antiferromagnetic states could reveal abundant physical…
Kagome materials often host exotic quantum phases, including spin liquids, Chern gap, charge order, and superconductivity. Existing scanning microscopy studies of the kagome charge order have been limited to non-kagome surface layers. Here…
We present the results of first-principle calculations using the Vienna Ab-initio Simulation Package (VASP) for a new class of organometallics labeled TM3C6O6 (TM =Sc, Ti, V, Cr, Fe, Co, Ni and Cu) in the form of planar, two-dimensional,…
Kagome metals are reported to exhibit remarkable properties, including superconductivity, charge density wave order, and a large anomalous Hall conductivity, which facilitate the implementation of spintronic devices. In this work, we study…
Kagome metals exhibit rich quantum states by the intertwining of lattice, charge, orbital and spin degrees of freedom. Recently, a novel charge density wave (CDW) ground state was discovered in kagome magnet FeGe and was revealed to be…
In this work, we employ a machine-learning-assisted high-throughput density functional theory framework to systematically investigate the stability, electronic structure, and magnetic ground states of 234 M$_4$X$_3$T$_x$ MXenes. The machine…
Kagome magnets represent a promising class of materials that exhibit intriguing electronic and magnetic properties, and they have recently garnered significant attention. While most kagome-lattice compounds are hexagonal, we report here…
Magnetic topological phases of quantum matter are an emerging frontier in physics and material science. Along these lines, several kagome magnets have appeared as the most promising platforms. Here, we explore magnetic correlations in the…
The kagome motif is a versatile platform for condensed matter physics, hosting rich interactions between magnetic, electronic, and structural degrees of freedom. In recent years, the discovery of a charge density wave (CDW) in the…
In this work, we theoretically study the charge order and orbital magnetic properties of a new type of antiferromagnetic kagome metal FeGe. Based on first principles density functional theory (DFT) calculations, we have studied the…
Kagome superconductors featuring topologically nontrivial band structures have attracted extensive research interest. FeSn and CoSn is a new kind of kagome material with intrinsic magnetism, which suppresses the emergence of…
Collinear and non-collinear spin structures of wurtzite phase CoO often appearing in nano-sized samples are investigated using first-principles density functional theory calculations. We examined the total energy of several different spin…
$\textit{R}$Mn$_6$Sn$_6$ ($R=$~Y,~Gd$-$Lu) kagome metals are promising materials hosting flat electronic bands and Dirac points that interact with magnetism. The coupling between the two magnetic $R$ and Mn sublattices can drive complex…
It was recently discovered that, depending on their symmetries, collinear antiferromagnets can actually break the spin degeneracy in momentum space, even in the absence of spin-orbit coupling. Such systems, recently dubbed altermagnets, are…
Kagome metals are important for exploring emergent phenomena due to the interplay between band topology and electron correlation.Motivated by the recent discovery of charge density wave in a kagome lattice antiferromagnetic FeGe,we…
We present the mean-field phase diagram of electrons in a kagome flat band with repulsive interactions. In addition to flat-band ferromagnetism, the Hartree-Fock analysis yields cascades of unconventional magnetic orders driven by onsite…