Related papers: Real-Space Spectral Approach to Orbital Magnetizat…
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…
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…
The modern expressions for polarization $\P$ and orbital magnetization $\M$ are $\k$-space integrals. But a genuine bulk property should also be expressible in $\r$-space, as unambiguous function of the ground-state density matrix,…
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…
We introduce a numerical method for computing spectral densities, and apply it to the evaluation of the local density of states (LDOS) of sparse Hamiltonians derived from tight-binding models. The approach, which we call the high-order…
The implementation of the orbital minimization method (OMM) for solving the self-consistent Kohn-Sham (KS) problem for electronic structure calculations in a basis of non-orthogonal numerical atomic orbitals of finite-range is reported. We…
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…
Existing numerical methods for modeling magnetization in thin type-II superconducting films have mostly been developed for flat films. This work introduces an efficient spectral method for axisymmetric magnetization problems involving…
Using a semiclassical Green's function formalism, we discover the emergence of chiral and topological orbital magnetism in two-dimensional chiral spin textures by explicitly finding the corrections to the orbital magnetization, proportional…
A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the ``local density approximation'' (LDA) and the dynamical…
The availability of large magnetic fields at international facilities and of simulated magnetic fields that can reach the flux-quantum-per-unit-area level in cold atoms, calls for systematic studies of orbital effects of the magnetic field…
We show that the model wave functions used to describe the fractional quantum Hall effect have exact representations as matrix product states (MPS). These MPS can be implemented numerically in the orbital basis of both finite and infinite…
Modern theory of the orbital magnetization is applied to the series of insulating perovskite transition metal oxides (orthorhombic YTiO$_3$, LaMnO$_3$, and YVO$_3$, as well as monoclinic YVO$_3$), carrying a net ferromagnetic (FM) moment in…
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 $\mu_\mathrm{B}$,…
The relationship between the modern and classical Landau's approach to carrier orbital magnetization is studied theoretically within the envelope function approximation, taking ferromagnetic (Ga,Mn)As as an example. It is shown that while…
Methods for calculating an electron density of a periodic crystal constructed using non-orthogonal localised orbitals are discussed. We demonstrate that an existing method based on the matrix expansion of the inverse of the overlap matrix…
Calculating the spectral function of two dimensional systems is arguably one of the most pressing challenges in modern computational condensed matter physics. While efficient techniques are available in lower dimensions, two dimensional…
We demonstrate that nontrivial multiband topological invariants of electronic wavefunctions can be revealed through orbital magnetization responses to external magnetic fields. We find that decomposing orbital magnetization into energetic…
Starting from the observation that one of the most successful methods for solving the Kohn-Sham equations for periodic systems -- the plane-wave method -- is a spectral method based on eigenfunction expansion, we formulate a spectral method…
The route to reliable quantum nanoelectronic devices hinges on precise control of the electrostatic environment. For this reason, accurate methods for electrostatic simulations are essential in the design process. The most widespread…