Related papers: Half-metallicity in honeycomb-kagome-lattice Mg3C2…
The spin-fermion model was previously successful to describe the complex phase diagrams of colossal magnetoresistive manganites and iron-based superconductors. In recent years, two-dimensional magnets have rapidly raised up as a new…
Exploring two-dimensional (2D) materials with magnetic ordering is a focus of current research. It remains a challenge to achieve tunable magnetism in a material of one-atom-thickness without introducing extrinsic magnetic atoms or defects.…
We report first principles theory based electronic structure studies of a semiconducting stoichiometric cage-like Cd9Te9 cluster. Substantial changes are observed in the electronic structure of the cluster on passivation with fictitious…
Designing new compounds with the coexistence of diverse physical properties is of great significance for broad applications in multifunctional electronic devices. In this work, based on density functional theory, we predict the coexistence…
Half-antiperovskites (HAPs) are a class of materials consisting of stacked kagome lattices and thus host exotic magnetic and electronic states. We perform high-throughput calculations based on density functional theory (DFT) and atomistic…
The discovery of archetypal two-dimensional (2D) materials provides enormous opportunities in both fundamental breakthroughs and device applications, as evident by the research booming in graphene, atomically thin transition-metal…
Compared to van der Waals moir\'e systems, molecular assembly has emerged as an exciting alternative platform for superlattice engineering via heterointegration. The electronic properties of the self-assembled square lattice monolayer…
The intriguing properties, especially Dirac physics in graphene, have inspired the pursuit of two-dimensional materials in honeycomb structure. Here we achieved a monolayer transition metal monochalcogenide AgTe on Ag(111) by tellurization…
Due to the low dimensionality in the quantization of the electronic states and degree of freedom for device modulation, two-dimensional (2D) ferromagnetism plays a critical role in lots of fields. In this study, we perform first-principles…
Herbertsmithite, ZnCu$_3$(OH)$_6$Cl$_2$, is a two dimensional kagom\'{e} lattice realization of a spin liquid, with evidence for fractionalized excitations and a gapped ground state. Such a quantum spin liquid has been proposed to underlie…
Honeycomb structure has a natural extension to the three dimensions. Simple examples are hyperhoneycomb and stripy-honeycomb lattices, which are realized in $\beta $-Li$_{2}$IrO$_{3}$ and $\gamma $-Li$_{2}$IrO$_{3}$, respectively. We…
Half-metals and spin gapless semiconductors are promising candidates for spintronic applications due to the complete (100%) spin polarization of electrons around the Fermi level. Based on recent experimental and theoretical findings of…
It is essential to explore two-dimensional (2D) material with magnetic ordering in new generation spintronic devices. Particularly, the seeking of room-temperature 2D ferromagnetic (FM) materials is a hot topic of current research. Here, we…
Achieving robust room-temperature ferromagnetism in purely organic 2D crystals remains a fundamental challenge, primarily due to antiferromagnetic (AFM) coupling mediated by {\pi}-electron superexchange. Here, we present a mix-topology…
We report the magnetic properties in the Co- and Zn-doped spin-1/2 honeycomb-lattice compound In$_3$Cu$_2$VO$_9$. The magnetic susceptibility and specific heat experiments show no long-range ordering down to 2 K in In$_3$Cu$_2$VO$_9$. In…
Kagome lattices facilitate various quantum phases, yet in bulk materials, their kagome flat-bands often interact with bulk bands, suppressing kagome electronic characteristics for hosting these phases. Here, we use density-functional-theory…
Topological semimetals in ferromagnetic materials have attracted enormous attention due to the potential applications in spintronics. Using the first-principles density functional theory together with an effective lattice model, here we…
The kagome lattice is an exciting solid state physics platform for the emergence of nontrivial quantum states driven by electronic correlations: topological effects, unconventional superconductivity, charge and spin density waves, and…
The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate the electronic structure of the half-metallic compound…
A two-dimensional honeycomb lattice harbors a pair of inequivalent valleys in the k-space electronic structure, in the vicinities of the vertices of a hexagonal Brillouin zone, K}$_{\pm}$. It is particularly appealing to exploit this…