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A computation methodology based on ab initio evolutionary algorithms and the spin-polarized density functional theory was developed to predict two-dimensional (2D) magnetic materials. Its application to a model system borophene reveals an…
Natural materials often feature a combination of soft and stiff phases, arranged to achieve excellent mechanical properties, such as high strength and toughness. Many natural materials have even independently evolved to have similar…
A fundamental motif in frustrated magnetism is the fully mutually coupled cluster of $N$ spins, with each spin coupled to every other spin. Clusters with $N=2$ and $3$ have been extensively studied as building blocks of square and…
We consider the Hubbard model with a magnetic Anderson impurity coupled to a lattice site. In the case of infinite dimensions, one-particle correlations of the impurity electron are described by the effective Hamiltonian of the two-impurity…
Cerium-based intermetallics have garnered significant research attention as potential new permanent magnets. In this study, we explore the compositional and structural landscape of Ce-Co-Cu ternary compounds using a machine learning…
We provide unified phenomenological description of magnetooptic effects being linear and quadratic in magnetization. The description is based on few principal spectra, describing elements of permittivity tensor up to the second order in…
The normalized in-plane magnetoconductivity of the dilute strongly interacting system of electrons in silicon MOSFET's scales with $B/T$ for low densities in the insulating phase. Pronounced deviations occur at higher metallic-like…
Two-dimensional (2D) materials are promising candidates for next-generation spintronic devices due to their tunable properties and potential for efficient spin-charge interconversion. However, discovering materials with intrinsically high…
We consider a Landau-de Gennes model for a connected cubic lattice scaffold in a nematic host, in a dilute regime. We analyse the homogenised limit for both cases in which the lattice of embedded particles presents or not cubic symmetry and…
Manganese-rich Heusler compounds are attracting much interest in the context of spin transfer torque and rare-earth free hard magnets. Here we give a comprehensive overview of the magnetic properties of non-centrosymmetric cubic…
Nematic elastomers are rubbery solids which have liquid crystals incorporated into their polymer chains. These materials display many unusual mechanical properties, one such being the ability to form fine-scale microstructure. In this work,…
Low-dimensional quantum magnets, due to the existence of abundant exotic quantum phases therein and experimental feasibilities in laboratories, continues intriguing people in condensed matter physics. In this work, a comprehensive study of…
This works deals with the presence of localized planar structures in magnetic materials that admit integer or half-integer topological charge. We study models in which the internal disposition of magnetization is driven by a single…
Quantum embedding methods have become a powerful tool to overcome deficiencies of traditional quantum modelling in materials science. However, while these are systematically improvable in principle, in practice it is rarely possible to…
An effective medium theory for resonant and non-resonant metamaterials for flexural waves in thin plates is presented. The theory provides closed-form expressions for the effective parameters of arrangement of inclusions or resonators in…
The electronic states of isostructural single-component molecular conductors [M(tmdt)2] (M= Ni, Au, and Cu) are theoretically studied. By considering fragments of molecular orbitals as basis functions, we construct a multiorbital model…
Multiferroics are those materials with more than one ferroic order, and magnetoelectricity refers to the mutual coupling between magnetism and electricity. The discipline of multiferroicity has never been so highly active as that in the…
This paper presents three different constitutive approaches to model thin rotation-free shells based on the Kirchhoff-Love hypothesis. One approach is based on numerical integration through the shell thickness while the other two approaches…
Magnetic impurities embedded in inert solids can exhibit long coherence times and interact with one another via their intrinsic anisotropic dipolar interaction. We argue that, as a consequence of these properties, disordered ensembles of…
Molecular nanomagnets are compounds characterized by a high-spin magnetic core that is protected by organic ligands. They have recently gained attention as potential quantum information carriers in solid-state quantum computing platforms,…