Related papers: Magnetic order in the computational 2D materials d…
The ordered tetragonal intermetallic Cr$_2$Al forms the same structure type as Mn$_2$Au, and the latter has been heavily investigated for its potential in antiferromagnetic spintronics due to its degenerate in-plane N\'{e}el vector. We…
It is demonstrated that the magnetic interactions can be drastically different for nano-sized systems compared to those of bulk or surfaces. Using a real-space formalism we have developed a method to calculate non-collinear magnetization…
The relation between crystal symmetries, electron correlations, and electronic structure steers the formation of a large array of unconventional phases of matter, including magneto-electric loop currents and chiral magnetism. Detection of…
Accurately predicting magnetic behavior across diverse materials systems remains a longstanding challenge due to the complex interplay of structural and electronic factors and is pivotal for the accelerated discovery and design of…
The role of dipolar interactions and anisotropy are important to obtain, otherwise forbidden, ferromagnetic ordering at finite temperature for ions arranged in two-dimensional (2D) arrays (monolayers). Here we demonstrate that conventional…
Identifying the magnetic state of materials is of great interest in a wide range of applications, but direct identification is not always straightforward due to limitations in neutron scattering experiments. In this work, we present a…
Large spin systems can exhibit unconventional types of magnetic ordering different from the ferromagnetic or N\'eel-like antiferromagnetic order commonly found in spin 1/2 systems. Spin-nematic phases, for instance, do not break…
In the ongoing research on two-dimensional (2D) ferromagnetic materials with strong intrinsic Dzyaloshinskii--Moriya interaction (DMI), most efforts have focused on doping, Janus engineering, or heterostructure formation to break inversion…
The ordering temperature of a quasi-one-dimensional system, consisting of weakly interacting quantum spin-1/2 chains with antiferromagnetic spin-frustrating couplings (or zig-zag ladder) is calculated. The results show that a quantum…
Given the scarcity of experimentally confirmed magnetic structures, the reliable prediction of magnetic ground states is crucial; however, it remains a long-sought challenge because of the complex magnetic potential energy landscape. Here,…
The advancement of machine learning technologies has revolutionized the search and optimization of material properties. These algorithms often rely on theoretical calculations, such as density functional theory (DFT), for data inputs and…
Neutron inelastic scattering and diffraction techniques have been used to study the MnV2O4 spinel system. Our measurements show the existence of two transitions to long-range ordered ferrimagnetic states; the first collinear and the second…
The magnetic structure of the iron monoarsenide FeAs is studied using first-principles calculations. We consider the collinear and non-collinear (spin-spiral wave) magnetic ordering and magnetic anisotropy. It is analitically shown that a…
We report muon spin rotation ($\mu$SR) and neutron diffraction on the rare-earth based magnets (Mo$_{2/3}$RE$_{1/3}$)$_2$AlC, also predicted as parent materials for 2D derivatives, where RE = Nd, Gd (only ($\mu$SR), Tb, Dy, Ho and Er. By…
Toroidal order, given by a composite of electric and magnetic orders, manifests itself not only in the peculiar magnetism but also in anomalous transport and magnetoelectric effect. We report our theoretical results on the influence and…
Competing magnetic anisotropies in chiral crystals with Dzyaloshinskii Moriya exchange interactions can give rise to non-trivial chiral topological magnetisation configurations with new and interesting properties. One such configuration is…
We clarify the macroscopic symmetry and microscopic model-parameter conditions for emergence of spin-split electronic band structure in collinear antiferromagnets without atomic spin-orbit coupling. By using the microscopic multipole…
Recent neutron scattering measurements on the spinel CdCr2O4 revealed a rare example of helical magnetic order in geometrically frustrated pyrochlore antiferromagnet. The spin spiral characterized by an incommensurate wavevector Q = 2pi (0,…
The search for a Kitaev quantum spin liquid in crystalline magnetic materials has fueled intense interest in the two-dimensional honeycomb systems. Many promising candidate Kitaev systems are characterized by a long range ordered magnetic…
The study of magnetic phenomena in low-dimensional systems has largely explored after the discovery of two-dimensional (2D) magnetic materials, such as CrI3 and Cr2Ge2Te6 in 2017. These materials presents intrinsic magnetic order,…