Related papers: Orbital magnetization in two-dimensional materials…
Results of ab initio calculations using the relativistic Local Spin Density theory are presented for the magnetic moments of periodic 5d and 4d transition metal interfaces with bcc Fe(001). In this systematic study we calculated the…
We extend the recently-developed theory of bulk orbital magnetization to finite electric fields, and use it to calculate the orbital magnetoelectric response of periodic insulators. Working in the independent-particle framework, we find…
The nature of the effective spin Hamiltonian and magnetic order in the honeycomb iridates is explored by considering a trigonal crystal field effect and spin-orbit coupling. Starting from a Hubbard model, an effective spin Hamiltonian is…
In systems with time-reversal symmetry, the orbital magnetization is zero in equilibrium. Recently, it has been proposed that the orbital magnetization can be induced by an electric current in a helical crystal structure in the same manner…
We compute the orbital magnetization in real materials by evaluating a recently discovered formula for periodic systems, within density functional theory. We obtain improved values of the orbital magnetization in the ferromagnetic metals…
Understanding magnetocrystalline anisotropy (MCA) is fundamentally important for developing novel magnetic materials. Therefore, clarifying the relationship between MCA and local physical quantities observed by spectroscopic measurements,…
It is shown that the spin-orbit coupling due to structure inversion asymmetry leads to a characteristic anisotropy in the magnetoconductance of two-dimensional metals. Relevance for recent experiments is discussed.
Hund's metallicity in 3$d$ transition metal oxides constitutes a rare class of compounds, since they have been long understood considering the dominance of Hubbard $U$. $\mathrm{LiV_2O_4}$\& $\mathrm{Sr_2CoO_4}$ belong to this rare class of…
We present a rigorous derivation of the orbital magnetization for interacting electrons within the self-consistent Hartree-Fock approximation. Our method also allows us to derive formulas for the orbital magnetic susceptibility. The results…
The temperature dependent order parameter provides important information on the nature of magnetism. Using traditional methods to study this parameter in two-dimensional (2D) magnets remains difficult, however, particularly for insulating…
A systematic study is performed by the {\it ab-initio} density functional theory of the anisotropy of the orbital moments $<l_z>$ and the magnetic dipole term $<T_z>$ in bulk ${\rm CrO_2}$. Two different band-structure techniques are used…
While the understanding of altermagnetism is still at a very early stage, it is expected to play a role in various fields of condensed matter research, for example spintronics, caloritronics and superconductivity. In the field of optical…
Two-dimensional compounds with non-zero Berry curvature are ideal systems to study exotic and technologically favourable thermoelectric and magnetoelectric properties. Within this class of materials, the topological trivial and non-trivial…
In ionic materials, circularly polarized phonons carry orbital magnetic moments that arise from circular motions of the ions, and which interact with other magnetic moments or fields. Here, we calculate the orbital magnetic moments of…
Predicting magnetism originating from 2$p$ orbitals is a delicate problem, which depends on the subtle interplay between covalency and Hund's coupling. Calculations based on density functional theory and the local spin density approximation…
We study how spin and orbital effects influence the capability of promoting Dzyaloshinskii-Moriya (DM) interaction by studying the two magnetic polar materials, Cu(IO3)2 (S = 1/2 with orbital contribution) and Mn(IO3)2 (S = 5/2 with…
The effect of the spin-orbit coupling on the ground state properties of the square-lattice three-band Hubbard model with a single electron per site is studied by a generalized Hartree-Fock approximation. We calculate the full phase diagram…
We develop a gauge-independent perturbation theory for the grand potential of itinerant electrons in two-dimensional tight-binding models in the presence of a perpendicular magnetic field. At first order in the field, we recover the result…
Magnetic anisotropy phenomena in bimetallic antiferromagnets Mn$_2$Au and MnIr are studied by first-principles density functional theory calculations. We find strong and lattice-parameter dependent magnetic anisotropies of the ground state…
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…