Related papers: A reduced-order, rotation-based model for thin har…
We use the state-of-the-arts density-functional-theory method to study various magnetic orders and their effects on the electronic structures of the FeSe. Our calculated results show that, for the spins of the single Fe layer, the striped…
Solid state theory, density functional theory and its generalizations for correlated systems together with numerical simulations on supercomputers allow nowadays to model magnetic systems realistically and in detail and can be even used to…
Kinetic transport equations are notoriously difficult to simulate because of their complex multiscale behaviors and the need to numerically resolve a high dimensional probability density function. Past literature has focused on building…
We use the non-perturbative Contractor-Renormalization method (CORE) in order to derive an effective model for triplet excitations on the Shastry-Sutherland lattice. For strong enough magnetic fields, various magnetization plateaux 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…
Iron ilmenene is a new two-dimensional material that has recently been exfoliated from the naturally-occurring iron titanate found in ilmenite ore, a material that is abundant on earth surface. In this work, we theoretically investigate the…
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…
Magnets are key materials for the electrification of mobility and also for the generation and transformation of electric energy. Research and development in recent decades lead to high performance magnets, which require a finely tuned…
Machine Learning (ML) plays an increasingly important role in the discovery and design of new materials. In this paper, we demonstrate the potential of ML for materials research using hard-magnetic phases as an illustrative case. We build…
The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…
Two-dimensional (2D) layered materials possess outstanding mechanical, electronic and optical properties, making them ideal materials for nanoelectromechanical applications. The recent discovery of 2D magnetic materials has promised a new…
A novel general purpose Finite Element framework is presented to study small-scale metal plasticity. A distinct feature of the adopted distortion gradient plasticity formulation, with respect to strain gradient plasticity theories, is the…
Ruthenium dioxide (RuO2) has recently emerged as a candidate altermagnet, yet its intrinsic magnetic ground state, particularly in thin films, remains debated. This study aims to clarify the nature and spatial extent of the magnetic order…
We present studies on magnetic nano-structures with 3D architectures, fabricated using electrodeposition in the pores of well-ordered templates prepared by self-assembly of polystyrene latex spheres. The coercive field is found to…
Through rational chemical design, and thanks to the hybrid nature of metal-organic frameworks (MOFs), it is possible to prepare molecule-based 2D magnetic materials stable at ambient conditions. Here, we illustrate the versatility of this…
Topology optimization offers great opportunities to design permanent magnetic systems that have specific external field characteristics. Additive manufacturing of polymer bonded magnets with an end-user 3D printer can be used to manufacture…
Spontaneous magnetic order is a routine instance in three-dimensional (3D) materials but for a long time, it remained elusive in the 2D world. Recently, the first examples of (stand-alone) 2D van der Waals (vdW) crystals with magnetic…
We present numerical experiments for geophysics electromagnetic (EM) modeling based upon high-order edge elements and supervised $h+p$ refinement approaches on massively parallel computers. Our high-order $h+p$ refinement strategy is based…
Here we present a new perspective to the breakdown of ferromagnetic order in two-dimensional spin-lattice models employing the rotation of the underlying lattice. Using an Ising spin system on a square lattice as a prototype, we demonstrate…
Two dimensional (2D) magnets have emerged as a compelling platform for spin based nanoelectronics, enabling atomic scale control of magnetic order, interfaces, quantum geometry, and symmetry. Here, we highlight recent advances in 2D…