Related papers: Orbital magnetization and Chern number in a superc…
We derive a multi-band formulation of the orbital magnetization in a normal periodic insulator (i.e., one in which the Chern invariant, or in 2d the Chern number, vanishes). Following the approach used recently to develop the single-band…
We present a real-space spectral method for computing the orbital magnetization of crystals. Starting from the commutator form of the orbital magnetization operator, we formulate an energy-resolved spectral function that is amenable to…
The modern theory of orbital magnetization addresses crystalline materials at the noninteracting level: therein the observable is the k-space integral of a geometrical integrand. Alternatively, magnetization admits a local representation in…
Based on standard perturbation theory, we present a full quantum derivation of the formula for the orbital magnetization in periodic systems. The derivation is generally valid for insulators with or without a Chern number, for metals at…
We present an approach for the calculation of the $\mathbb{Z}_2$ topological invariant in non-crystalline two-dimensional quantum spin Hall insulators. While topological invariants were originally mathematically introduced for crystalline…
Formulas for the contribution of the conduction electrons to the polarization and magnetization are derived for disordered systems and within a one-particle framework. These results generalize known formulas for Bloch electrons and the…
An efficient method for calculating the electronic structure of systems that need a very fine sampling of the Brillouin zone is presented. The method is based on the variational optimization of a "single" (i.e. common to all points in 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 intrinsic orbital magnetization of a TMD monolayer is usually calculated for a plane unbounded system without mentioning the geometrical shape of samples and boundary conditions (BCs) for electron wave functions. The method of…
In this review article, we survey the relatively new theory of orbital magnetization in solids-often referred to as the "modern theory of orbital magnetization"-and its applications. Surprisingly, while the calculation of the orbital…
Spin-orbit coupling introduces chirality into electronic structure. This can have profound effects on the magnetization induced by orbital motion of electrons. Here we derive a formula for the orbital magnetization of interacting electrons…
The real space formalism of orbital magnetization (OM) is an average of the local OM over some appropriate region of the system. Previous studies prefer a bulk average (i.e., without including boundaries). Based on a bilayer model with an…
A general expression for the orbital magnetization of a Floquet system is derived. The expression holds for a clean system, and is valid for any driving protocol, and arbitrary occupation of the bands. The orbital magnetization is shown to…
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…
Orbital magnetoelectric effect is closely related to the band topology of bulk crystalline insulators. Typical examples include the half quantized Chern-Simons orbital magnetoelectric coupling in three dimensional (3D) axion insulators and…
We discribe a simple way to derive spin correlation functions in 2D Ising model at critical temperature but with nonzero magnetic field at the boundary. Local magnetization (i.e. one-point function) is computed explicitly for half-plane and…
Chiral superconductivity is a time-reversal-symmetry-breaking superconducting phase that has attracted broad interest as a potential platform for topological quantum computation. A fundamental consequence of this symmetry breaking is…
We propose a new method for calculating the Chern-Simons orbital magnetoelectric coupling, conventionally parametrized in terms of a phase angle $\theta$. According to previous theories, $\theta$ can be expressed as a 3D Brillouin-zone…
We calculate the orbital magnetization of 822 two-dimensional magnetic materials from the Computational 2D Materials Database (C2DB). For compounds containing 5$d$ elements we find orbital moments of the order of 0.3-0.5 $\mu_\mathrm{B}$,…
We present a new implementation of the k-space interpolation scheme for electronic structure presented by E. L. Shirley, Phys. Rev. B 54, 16464 (1996). The method permits the construction of a compact k-dependent Hamiltonian using a…