相关论文: $\textit{Ab initio}$ prediction of a two-dimension…
Two-dimensional (2D) magnetism realized in van der Waals (vdW) materials has expanded to include a great variety of magnetic phases, over a short decade since its first discovery in 2016-2017. However, most of the investigated vdW magnets…
Since the celebrated discovery of graphene, the family of two-dimensional (2D) materials has grown to encompass a broad range of electronic properties. Recent additions include spin-valley coupled semiconductors, Ising superconductors that…
Manipulation of long-range order in two-dimensional (2D) van der Waals (vdW) magnetic materials (e.g., CrI$_3$, CrSiTe$_3$ etc.), exfoliated in few-atomic layer, can be achieved via application of electric field, mechanical-constraint,…
Two-dimensional van der Waals single crystals DyOBr and SmOCl have been grown by flux method and their anisotropic magnetic properties are reported. DyOBr orders antiferromagnetically at T$_{N}$=9.5 K with magnetic moments lying along…
Magnetic insulators are a key resource for next-generation spintronic and topological devices. The family of layered metal halides promises ultrathin insulating multiferroics, spin liquids, and ferromagnets, but new characterization methods…
It has been long hoped that the realization of long-range ferromagnetic order in two-dimensional (2D) van der Waals (vdW) crystals, combined with their rich electronic and optical properties, would open up new possibilities for magnetic,…
Iron ilmenene is a new two-dimensional material that has recently been exfoliated from the naturally-occurring iron titanate found in ilmenite ore, a material that is abundant on earth surface. In this work, we theoretically investigate the…
Several Ising-type magnetic van der Waals (vdW) materials exhibit stable magnetic ground states. Despite these clear experimental demonstrations, a complete theoretical and microscopic understanding of their magnetic anisotropy is still…
Through a combination of crystal symmetry analysis and density functional theory calculations we unveil a possible microscopic origin of the unexpected insulating behavior reported in the honeycomb Kitaev material Cu$_2$IrO$_3$. Our study…
The advent of twist-engineering in two-dimensional (2D) crystals enables the design of van der Waals (vdW) heterostructures exhibiting emergent properties. In the case of magnets, this approach can afford artificial antiferromagnets with…
The quasi-two-dimensional antiferromagnet Ni$_2$P$_2$S$_6$ belongs to the family of magnetic van der Waals compounds that provides a rich material base for the realization of fundamental models of quantum magnetism in low dimensions. Here,…
5$d$ transition metal oxides host a variety of exotic phases due to the comparable strength of Coulomb repulsion and spin-orbit coupling. Herein, by pursuing density-functional studies on a delta-doped quasi-two-dimensional iridate…
Anisotropy is a general feature in materials. Strong anisotropy could lead to interesting physical properties and useful applications. Here, based on first-principles calculations and theoretical analysis, we predict a stable…
Recent advances in van der Waals (vdW) materials have sparked renewed interest in the impact of dimensionality on magnetic phase transitions. While ordered magnetic phases have been demonstrated to survive in the two-dimensional (2D) limit,…
Unconventional Weyl semimetals have attracted intensive research interest in condensed matter physics and materials science, but they are very rare in two dimensions. In this work, based on symmetry analysis and the first-principles…
Ising-like spin-1/2 magnetic materials are of interest for their ready connection to theory, particularly in the context of quantum critical behavior. In this work we report detailed studies of the magnetic properties of a member of the…
We study the pyrochlore series (Eu$_{1-x}$Bi$_x$)$_2$Ir$_2$O$_7$ for $ 0 \leq x \leq 1$. We show that for small $x$, the lattice undergoes an anomalous contraction but the all-in/all-out and metal-to-insulator transitions remain robust, and…
Two-dimensional (2D) layered magnetic materials are generating a great amount of interest for the next generation of electronic devices thanks to their remarkable properties associated to spin dynamics. The recently discovered layered…
Quantum materials with stacked van der Waals (vdW) layers hosting non-trivial band structure topology and magnetism have shown many interesting properties. Using high throughput density functional theory calculations, we design and predict…
The magnetic properties of the pyrochlore iridate material Eu$_2$Ir$_2$O$_7$ (5$d^5$) have been studied based on the first principle calculations, where the crystal field splitting $\Delta$, spin-orbit coupling (SOC) $\lambda$ and Coulomb…