Related papers: Localised Magnetism in 2D Electrides
Lanthanide borates are widely studied for their optical and magnetic properties. A wide variety of structures are known with 3, 2, 1 and 0 dimensional connectivity of lanthanide ions. Here, we explore Mg$Ln$B$_5$O$_{10}$, with a quasi-1D…
2D magnets have emerged as a class of materials highly promising for studies of quantum phenomena and applications in ultra-compact spintronics. Current research aims at design of 2D magnets with particular functional properties. A…
Based on first-principles calculations, the evolution of the electronic and magnetic properties of transition metal dihalides MX$_2$ (M= V, Mn, Fe, Co, Ni; X = Cl, Br, I) is analyzed from the bulk to the monolayer limit. A variety of…
We show that a discrete tight-binding model representing either a random or a quasiperiodic array of bonds, can have the entire energy spectrum or a substantial part of it absolutely continuous, populated by extended eigenfunctions only,…
We discuss physical properties of strongly correlated electron states for a linear chain obtained with the help of the recently proposed new method combining the exact diagonalization in the Fock space with an ab initio readjustment of the…
Controlling the crystal structure is a powerful approach for manipulating the fundamental properties of solids. Unique to two-dimensional (2D) van der Waals materials, the control can be achieved by modifying the stacking order through…
We have performed x-ray linear and circular magnetic dichroism experiments at the Mn L2,3-edge of the La0.7Sr0.3MnO3 ultra thin films. Our measurements show that the antiferromagnetic (AF) insulating phase is stabilized by the interfacial…
The debate whether uranium 5f electrons are closer to being localized or itinerant in the ferromagnetic compound UGa2 is not yet fully settled. The experimentally determined magnetic moments are large, approximately 3 Bohr magnetons,…
In many materials, ordered phases and their order parameters are easily characterized by standard experimental methods. "Hidden order" refers to a phase transition in which an ordered state emerges without such an easily detectable order…
Magnetic excitations of single atoms on surfaces have been widely studied experimentally in the past decade. Lately, systems with unprecedented magnetic stability started to emerge. Here, we present a general theoretical investigation of…
We compute the electronic structure of two-dimensional (2D) materials decorated with self-assembled organic monolayers using density functional theory. We find that 2D materials are strongly impacted by near-field electrostatic effects…
The structural, electronic and lattice dielectric properties of multiferroic TbMn$_2$O$_5$ are investigated using density functional theory within the generalized gradient approximation (GGA). We use collinear spin approximations and ignore…
We study the composition dependent evolution of geometric and magnetic structures of MnO clusters within density functional theory. A systematic and extensive search through the potential energy surface is performed to identify the correct…
Recent experimental developments in the iron pnictides have unambiguously demonstrated the existence of in-plane electronic anisotropy in the absence of the long-range magnetic order. Such anisotropy can arise from orbital ordering, which…
Magnetic topological materials are a class of compounds which can host massless electrons controlled by the magnetic order. One such compound is EuZn$_2$Sb$_2$, which has recently garnered interest due to its strong interplay between the Eu…
Electrides, with their excess electrons distributed in crystal cavities playing the role of anions, exhibit a variety of unique electronic and magnetic properties. In this work, we employ the first-principles crystal structure prediction to…
Altermagnetism, a recently discovered class of magnetic order characterized by vanishing net magnetization and spin-splitting band structures, has garnered significant research attention. In this work, we introduce a novel two-dimensional…
Magneto-electronic properties of buckled monolayer GaAs is studied by the developed generalized tight-binding model, considering the buckled structure, multi-orbital chemical bondings, spin-orbit coupling, electric field, and magnetic field…
The lanthanide orthoborates, $Ln$BO$_3$, $Ln$ = Gd, Tb, Dy, Ho, Er, Yb crystallise in a monoclinic structure with the magnetic $Ln^{3+}$ forming an edge-sharing triangular lattice. The triangles are scalene, however all deviations from the…
The self-organization of strongly interacting electrons into superlattice structures underlies the properties of many quantum materials. How these electrons arrange within the superlattice dictates what symmetries are broken and what ground…