Related papers: Electronic structures and magnetism in van der Waa…
Using ab initio methods based on density functional theory, the electronic and magnetic structure of layered hexagonal NbSe$_{2}$ is studied. In the case of single-layer NbSe$_{2}$ it is found that, for all the functionals considered, the…
Following the recent report of superconductivity in the bilayer nickelate La$_{3}$Ni$_{2}$O$_{7}$ under pressure, we present an analysis of the electronic and magnetic properties of La$_{3}$Ni$_{2}$O$_{7}$ as a function of pressure using…
Two-dimensional van der Waals ferromagnet Fe$_3$GeTe$_2$ (FGT) holds a great potential for applications in spintronic devices, due to its high Curie temperature, easy tunability, and excellent structural stability in air. Theoretical…
Magnetic van der Waals materials are an important building block to realize spintronic functionalities in heterostructures of two-dimensional (2D) materials. Yet, establishing their magnetic and electronic properties and the…
We have compared the magnetic, transport, galvanomagnetic and specific heat properties of CeNiC$_2$, PrNiC$_2$ and NdNiC$_2$ to study the interplay between charge density waves and magnetism in these compounds. The negative…
The electronic properties of graphene decorated with Ni, Co, Cu and Zn adatoms is studied with the density functional theory approach. Within the analysis the spin-orbit interaction is taken into account. We focus on the case when the…
Recent advancements in 2D magnetic materials have attracted a growing interest driven by their unique properties and potential applications in spintronic devices. However, the scarcity of systems that exhibit magnetism at room-temperature…
The physics of weak itinerant ferromagnets is challenging due to their small magnetic moments and the ambiguous role of local interactions governing their electronic properties, many of which violate Fermi liquid theory. While magnetic…
Among condensed matter systems, Mott insulators exhibit diverse properties that emerge from electronic correlations. In itinerant metals, correlations are usually weak, but can also be enhanced via geometrical confinement of electrons, that…
We study self-energy effects induced by strong magnetic fluctuations in the paramagnetic phase of strongly-correlated itinerant magnets within the density functional theory combined with the dynamical mean field theory (DFT+DMFT approach)…
The unveiling of 2D van der Waals magnetism in 2017 ignited a surge of interest in low-dimensional magnetism. With dimensions reduced, research has delved into facile electric control of 2D magnetism, high-quality heterostructure design,…
The effects of the spin and lattice degrees of freedom on the electronic structure of M1 vanadium dioxide are explored using a quasiparticle description. Contraction of the inter-vanadium spacing of the Peierls pairings stabilizes bonding…
Two-dimensional (2D) materials possess great potential for flexible devices, ascribing to their outstanding electrical, optical, and mechanical properties. However, their mechanical deformation property and fracture mechanism, which are…
We study the magnetic and electronic properties of Ni-intercalated NbSe$_2$.We calculate the magnetic exchanges of Ni$_x$NbSe$_2$ ($x = 1/3, 1/4,$ and $1$) and find that the out-of-plane magnetic coupling depends on the Ni connectivity: it…
Higher-order exchange interactions and quantum effects are widely known to play an important role in describing the properties of low-dimensional magnetic compounds. Here we identify the recently discovered two-dimensional (2D) van der…
Magnetic order in van der Waals magnets can strongly influence their lattice dynamics, yet how this interaction manifests across different phonon length scales remains unclear. Optical phonons probe bond-scale exchange modulation and…
One of the distinguishing features of an altermagnet is that its spin-up and spin-down bands display a nodal momentum-dependent splitting even in the absence of spin-orbit coupling. While this property has been investigated in many…
Manipulating quantum state via electrostatic gating has been intriguing for many model systems in nanoelectronics. When it comes to the question of controlling the electron spins, more specifically, the magnetism of a system, tuning with…
The discovery of ordered magnetism in two-dimensional van der Waals materials at the monolayer limit challenges the Mermin-Wagner theorem, which forbids spontaneous breaking of continuous symmetries in two dimensions at finite temperatures.…
Ferromagnetism is most common in transition metal compounds but may also arise in low-density two-dimensional electron systems, with signatures observed in silicon, III-V semiconductor systems, and graphene moir\'e heterostructures. Here we…