Related papers: Localised Magnetism in 2D Electrides
By applying tight binding model of adatoms in graphene, we study theoretically the localized aspects of the interaction between transition metal atoms and graphene. Considering the electron-electron interaction by adding a Hubbard term in…
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,…
Although multiferroics have undergone extensive examination for several decades, the occurrence of ferroelectricity induced by orbital order is only scarcely documented. In this study, we propose the existence of spontaneous ferroelectric…
The rich magneto-electronic properties of AA-bottom-top (bt) bilayer silicene are investigated using a generalized tight-binding model. The electronic structure exhibits two pairs of oscillatory energy bands in which the lowest conduction…
We consider d dimensional systems which are localized in the absence of interactions, but whose single particle (SP) localization length diverges near a discrete set of (single-particle) energies, with critical exponent \nu. This class…
The noninteracting electronic structures of tight binding models on bipartite lattices with unequal numbers of sites in the two sublattices have a number of unique features, including the presence of spatially localized eigenstates and flat…
Moir\'e superlattices in two-dimensional (2D) materials exhibit rich quantum phenomena, but ab initio modelling of these systems remains computationally prohibitive. Existing machine learning methods for accelerating density-functional…
The two-orbital double-exchange model is employed for the study of the magnetic and orbital orders in ($R$MnO$_3$)$_n$/($A$MnO$_3$)$_{2n}$ ($R$: rare earths; $A$: alkaline earths) superlattices. The A-type antiferromagnetic order is…
The effect of uniaxial strain on electronic structure and magnetism in LaMnO$_3$ is studied from a model Hamiltonian that illustrates the competition between the Jahn-Teller, super exchange, and double exchange interactions. We retain in…
Iron-based hexaferrites are critical-element-free permanent magnet components of magnetic devices. Of particular interest is electron-doped M-type hexaferrite i.e., LaFe$_{12}$O$_{19}$ (LaM) in which extra electrons introduced by lanthanum…
We summarize the existing experimental data on electromagnons in multiferroic RMn2O5 compounds, where R denotes a rare earth ion, Y or Bi, and discuss a realistic microscopic model of these materials based on assumption that the microscopic…
The altermagnetism with antiparallel spin alignment exhibits anisotropic spin splitting and may possess an insulating state with a high Neel temperature, while the charge-order-induced ferroelectricity has ultrafast electric polarization…
We study the artificial molecular states formed in laterally coupled double semiconductor nanorings by systems containing one, two and three electrons. An interplay of the interring tunneling and the electron-electron interaction is…
The magnetic anisotropy of low-dimensional Mott systems exhibits unexpected magnetotransport behavior useful for spin-based quantum electronics. Yet, the anisotropy of natural materials is inherently determined by the crystal structure,…
Dimerized quantum magnets are exotic crystalline materials where Bose-Einstein condensation of magnetic excitations can happen. However, known dimerized quantum magnets are limited to only a few oxides and halides. Here, we unveil 9…
The new challenges posed by the need of finding strong rare-earth free magnets demand methods that can predict magnetization and magnetocrystalline anisotropy energy (MAE). We argue that correlated electron effects, which are normally…
Low-dimensional quantum magnets are a versatile materials platform for studying the emergent many-body physics and collective excitations that can arise even in systems with only short-range interactions. Understanding their low-temperature…
Electrides are exotic compounds in which excess electrons occupy interstitial regions of the crystal lattice and serve as anions, exhibiting exceptional properties such as low work function, high electron mobility, and strong catalytic…
We report the electronic structure and magnetic ordering of the single molecule magnet [Mn$_{10}$O$_{4}$(2,2'-biphenoxide)$_{4}$Br$_{12}$]$^{4-}$ based on first-principles all-electron density-functional calculations. We find that two of…
Wigner crystals are predicted as the crystallization of the dilute electron gas moving in a uniform background when the electron-electron Coulomb energy dominates the kinetic energy. The Wigner crystal has previously been observed in the…