Related papers: Towards a theory of surface orbital magnetization
We present a microscopic theory for the local (single site) orbital magnetization in tight-binding systems. Each occupied state of energy $\varepsilon_n$ contributes with a local orbital magnetic moment term ${\mathbf{ m}}_n({\mathbf{ r}})$…
We use symmetry analysis and density functional theory to characterize antiferromagnetic (AFM) materials which have a finite equilibrium magnetization density on particular surface terminations. A nonzero magnetic dipole moment per unit…
We address the importance of the modern theory of orbital magnetization for spintronics. Based on an all-electron first-principles approach, we demonstrate that the predictive power of the routinely employed "atom-centered" approximation is…
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 use a combination of density functional theory and Monte Carlo calculations to calculate the surface magnetization in magnetoelectric $\mathrm{Cr_2O_3}$ at finite temperatures. Such antiferromagnets, lacking both inversion and…
The orbital magnetic moment of a finite piece of matter is expressed in terms of the one-body density matrix as a simple trace. We address a macroscopic system, insulating in the bulk, and we show that its orbital moment is the sum of a…
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…
We identify topological aspects of the subextensive magnetic moment contributed by the surfaces of a three-dimensional crystallite -- assumed to be insulating in the bulk as well as on all surface facets, with trivial Chern invariants in…
Working in the Wannier representation, we derive an expression for the orbital magnetization of a periodic insulator. The magnetization is shown to be comprised of two contributions, an obvious one associated with the internal circulation…
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 material systems with slab geometry, the surface contribution to physical responses is commonly expected to diminish rapidly with increasing thickness, giving way to the bulk response. Here, we show that this conventional wisdom is…
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…
We find that, in the mesoscopic regime, modification of the material's surface can induce an extensive change of the material's magnetic moment. In other words, perturbation of order $N^2$ atoms on the surface of a 3-dimensional solid can…
Orbital magnetism is a purely quantum phenomenon that reflects intrinsic electronic properties of solids, yet its microscopic description in interacting multiband systems remains incomplete. We develop a general quantum many-body framework…
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…
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 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,…
Condensed matter physics is often concerned with determining the response of a solid to an external stimulus. This paper revisits and extends the microscopic formalism for calculating response coefficients -- here referred to as…
We use symmetry analysis and density functional theory to show that changes in magnetic order at a surface with respect to magnetic order in the bulk can be generically determined by considering local magnetoelectric responses of the…
The physics underlying the magnetization process of quantum antiferromagnets is revisited from the viewpoint of geometric phases. A continuum variant of the Lieb-Schultz-Mattis-type approach to the problem is put forth, where the…