Related papers: Magnetic order in the computational 2D materials d…
Magnetic materials have been applied in a large variety of technologies, from data storage to quantum devices. The development of 2D materials has opened new arenas for magnetic compounds, even when classical theories discourage their…
We present a perspective on the status of antiferromagnetism in two-dimensional (2D) materials. Various types of spin-compensated orders are discussed and include non-collinear order, spin spirals and altermagnetism. Spin-orbit effects…
The recent observation of ferromagnetic order in two-dimensional (2D) materials has initiated a booming interest in the subject of 2D magnetism. In contrast to bulk materials, 2D materials can only exhibit magnetic order in the presence of…
Magnetic materials often exhibit complex energy landscapes with multiple local minima, each corresponding to a self-consistent electronic structure solution. Finding the global minimum is challenging, and heuristic methods are not always…
We present a computational search for spin spiral ground states in two-dimensional transition metal halides that are experimentally known as van der Waals bonded bulk materials. Such spin spirals break the rotational symmetry of the lattice…
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…
We calculate the orbital magnetization of 822 two-dimensional magnetic materials from the Computational 2D Materials Database (C2DB). For compounds containing 5$d$ elements we find orbital moments of the order of 0.3-0.5 $\mu_\mathrm{B}$,…
Stabilization of unusual spin-orbit driven magnetic orderings are achieved for chains of Mn atoms deposited on a W(110) substrate. First-principles electronic structure calculations show that the ground state spin configuration is…
We present a high throughput computational search for altermagnetism in two-dimensional (2D) materials based on the Computational 2D Materials Database (C2DB). We start by showing that the symmetry requirements for altermagnetism in 2D are…
Magnetic ordering phenomena have a profound influence on the macroscopic properties of correlated-electron materials, but their realistic prediction remains a formidable challenge. An archetypical example is the ternary nickel oxide system…
We present the results of a muon-spin relaxation (muSR) investigation into magnetic ordering in several families of layered quasi-two-dimensional molecular antiferromagnets based on transition metal ions such as S=1/2 Cu2+ bridged with…
We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation of the effective magnetic interactions…
We investigate the chiral magnetic order in free-standing planar 3$d$-5$d$ bi-atomic metallic chains (3$d$: Fe, Co; 5$d$: Ir, Pt, Au) using first-principles calculations based on density functional theory. We found that the antisymmetric…
Two-dimensional metallic altermagnets are rare, and no correlated 2D material has been established to host large nonrelativistic spin splitting. Here we show that spontaneous orbital order, driven by electronic correlations and Fermi…
The realization of long-range spin order in two-dimensions (2D) has catapulted the search for layered materials with magnetic ordering above room temperature. These efforts aim to understand and enhance the spin spin interactions in 2D. An…
We investigate the necessary conditions for the emergence of complex, noncoplanar magnetic configurations in a Kondo lattice model with classical local moments on the geometrically frustrated Shastry-Sutherland lattice and their evolution…
Altermagnetism, as an unconventional antiferromagnetism, exhibits collinear-compensated magnetic order in real space and spin-splitting band structure in reciprocal space. In this work, we propose a general approach to generating…
Density-functional calculations are carried out to investigate incommensurate magnetic structures and ferroelectric polarization in newly discovered multiferroic material MnI$_2$. The exchange interactions among local moments on Mn are…
Within the framework of the $s$-$d(f)$ exchange model in the mean-field approximation for square, simple cubic, body-centered and face-centered cubic lattices, the formation of a ferromagnetic, spiral, and commensurate antiferromagnetic…
The terminology "altermagnetism" has recently been adopted to describe collinear magnetic order with no net magnetization and non-relativisitic, momentum-dependent spin-splitting. The archetypal material used to theoretically explore…