Related papers: Electronic structures and magnetism in van der Waa…
Based on the density functional theory, we examine the origin of ferromagnetism in the Weyl semimetal Co$_3$Sn$_2$S$_2$ using different types of response theories. We argue that the magnetism of Co$_3$Sn$_2$S$_2$ has a dual nature and bears…
We theoretically investigate the physical properties of the magnetic van der Waals material GdGaI. Using first-principles calculations, we compute the phonon dispersion of GdGaI and show no imaginary phonons, suggesting that phonon-driven…
Quantum materials display rich and myriad types of magnetic, electronic, and structural ordering, often with these ordering modes either competing with one another or 'intertwining', that is, reinforcing one another. Low dimensional quantum…
Motivated by the recently reported high-temperature superconductivity in the bilayer La$_3$Ni$_2$O$_7$ (LNO) under pressure, here we comprehensively study this system using {\it ab initio} techniques. The Ni $3d$ orbitals have a large…
Two-dimensional (2D) van der Waals (vdW) magnetic materials have attracted a lot of attention owing to the stabilization of long-range magnetic order down to atomic dimensions, and the prospect of novel spintronic devices with unique…
We calculate the magnetism of 3d transition metals on Au(110)-(1$\times$2) surface and Au(111) surface based on the Density Functional Theory. Our results show that the spin moments of the two-side elements of the 3d group such as Ti, V, Co…
For more than three decades, clear discrepancies have existed between spin densities in momentum space revealed by Magnetic Compton scattering experiments and theoretical calculations based on density functional theory (DFT). Here by making…
The notion of an electronic flat band refers to a collectively degenerate set of quantum mechanical eigenstates in periodic solids. The vanishing kinetic energy of flat bands relative to the electron-electron interaction is expected to…
Among two-dimensional materials, Fe$_3$GeTe$_2$ has come to occupy a very important place owing to its ferromagnetic nature with one of the highest Curie temperatures among known van der Waals materials and the potential for hosting…
The discovery of atomically thin van der Waals ferroelectric and magnetic materials encourages the exploration of 2D multiferroics, which holds the promise to understand fascinating magnetoelectric interactions and fabricate advanced…
Magnetic materials with highly anisotropic chemical bonding can be exfoliated to realize ultrathin sheets or interfaces with highly controllable optical or spintronics responses, while also promising novel cross-correlation phenomena…
The thermodynamics of the antiferromagnetic ordering transition in NiO and the photoelectron spectra in the antiferromagnetic phase are studied by the Variational Cluster Approximation. Using realistic Racah parameters to describe the…
Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations, we systematically studied the electronic band structure of Mn$_3$Ge in the vicinity of the Fermi level. We observe several bands…
The recently discovered two-dimensional (2D) van der Waals magnet NiPS$_3$ provides a new route to examine many-body quasiparticles under 2D confinement. Excitons are of particular interest due to their strong coupling to the magnetic…
Ferromagnetism in the t-t' Hubbard model is investigated on a square lattice. Correlation effects in the form of self-energy and vertex corrections are systematically incorporated within a spin-rotationally-symmetric scheme which explicitly…
Using \emph{ab initio} band structure and DFT+dynamical mean-field theory methods we examine the effects of electron-electron interactions on the electronic structure, magnetic state, and structural phase stability of the recently…
Magnetic 2D materials have achieved significantly consideration owing to their encouraging applications. A variation of these 2D materials by occurrence of defects, by the transition-metal doping or adsorption or by the surface…
There is a recent upsurge of interests in flat bands in condensed-matter systems and the consequences for magnetism and superconductivity. This article highlights the physics, where peculiar quantum-mechanical mechanisms for the physical…
Cr$_{\frac{1}{4}}$NbSe$_2$ is a triangular lattice magnet in which magnetic Cr$^{3+}$ ions are intercalated to form triangular lattices between NbSe$_2$ van der Waals layers stacked along the c axis. By unpolarized and polarized neutron…
Metallic ferromagnets with strongly interacting electrons often exhibit remarkable electronic phases such as ferromagnetic superconductivity, complex spin textures, and nontrivial topology. In this report, we discuss the synthesis of a…