Related papers: Electronic structures and magnetism in van der Waa…
In the local or itinerant extreme, magnetic excitations can be described by the Heisenberg model which treats electron spins as localized moments, or by the itinerant-electron model where the exchange interaction between electrons leads to…
We have grown a series of nickel substituted single crystals of the layered ferromagnet (FM) Fe$_3$GeTe$_2$. The large single crystalline samples of (Fe$_{1-x}$Ni$_x$)$_3$GeTe$_2$ with $x = 0-0.84$ were characterized with single crystal…
It has long been speculated that electronic flat band systems can be a fertile ground for hosting novel emergent phenomena including unconventional magnetism and superconductivity. Although flat bands are known to exist in a few systems…
Van-der-Waals (vdW) ferromagnets have enabled the development of heterostructures assembled from exfoliated monolayers with spintronics functionalities, making it important to understand and ultimately tune their magnetic properties at the…
We present the magnetic excitation spectrum of the quantum magnet $\rm NiPS_3$ near the zig-zag ground state of a minimal honeycomb spin Hamiltonian that includes bilinear and biquadratic spin interactions. Our analysis, using a multi-boson…
Two-dimensional van der Waals (vdW) ferromagnets drive the advancement in spintronic applications and enable the exploration of exotic magnetism in low-dimensional systems. The entanglement of dual $-$ localized and itinerant $-$ nature of…
Niobium halides, Nb3X8 (X = Cl,Br,I), which are predicted two-dimensional magnets, have recently gotten attention due to their breathing kagome geometry. Here, we have studied the electronic structure of Nb3Br8 by using angle-resolved…
We report electronic band structure calculations for Sr$_{4}$Ru$_{3}$O$_{10}$ that displays both ferromagnetic and metamagnetic behavior. The density functional calculations find the ground state to be ferromagnetic in agreement with the…
Enhancement of Curie temperature ($T_\mathrm{C}$) of two-dimensional (2D) magnets is immensely desirable for room temperature spintronic applications. Fe$_{5}$GeTe$_{2}$ is an exceptional van der Waals metallic ferromagnet due to its…
Two-dimensional (2D) Van der Waals compounds exhibit interesting electronic and magnetic properties due to complex intra-layer and inter-layer interactions, which are of immense importance in realizing exotic physics as well as advanced…
The layered van der Waals ferromagnetic Fe$_3$GeTe$_2$ harbours an unconventional interplay between topology and magnetism, leading to a large anomalous Hall conductivity at low temperatures. Here, we investigate the temperature dependence…
We present an effective two-band model for infinite-layer nickelates NdNiO$_2$ that consisting of a $d$ band centered at Ni site and an interstitial $s$-like band centered at Nd site. To the large extent of the wave functions, we find…
Strange metallicity, characterized by a linear temperature dependence of the resistivity, is observed in a broad range of correlated materials, including heavy-fermion compounds and cuprate superconductors. It has also recently been…
Flat bands with small energy dispersion can give rise to strongly correlated electronic and topological phases, especially when located at the Fermi level. Whilst flat bands have been experimentally realized in two-dimensional (2D) twisted…
Two-dimensional van der Waals MnBi$_{2n}$Te$_{3n+1}$ (n = 1, 2, 3, 4) compounds have been recently found to be intrinsic magnetic topological insulators rendering quantum anomalous Hall effect and diverse topological states. Here, we…
Magnetism in two-dimensional (2D) van der Waals (vdW) materials has lately attracted considerable attention from the point of view of both fundamental science and device applications. Obviously, establishing the detailed and solid…
We carry out a systematic study of the electronic and magnetic structure of the ambient-pressure bilayer La$_3$Ni$_2$O$_7$. Employing the hybrid exchange-correlation functional, we show that the exchange-correlation pushes the bonding…
Motivated by the report of superconductivity in bilayer La$_3$Ni$_2$O$_7$ at high pressure, we examine the interacting electrons in this system. First-principles many-body theory is utilized to study the normal-state electronic properties.…
The electronic structure of Nickel dichalcogenides, NiS$_2$ and NiSe$_2$, in monolayer form, is studied employing first-principles methods. We assess the importance of band ordering, covalency and Coulomb interactions in the ground state of…
The series of nickel-oxide compounds LaNiO$_3$ (formal Ni$(d^7)$), La$_2$NiO$_4$ (formal Ni$(d^8)$) and LaNiO$_2$ (formal Ni$(d^9)$) is investigated by first-principles many-body, using a combination of density functional theory,…