Over the past two decades, following the early developments on maximally localized
Wannier functions, an ecosystem of electronic-structure simulation techniques and software …

Topological invariants are global properties of the ground-state wave function, typically
defined as winding numbers in reciprocal space. Over the years, a number of topological …

Using the semiclassical theory of electron dynamics, we derive a gauge-invariant
expression for the spin toroidization in a periodical crystal. We show that the spin …

In this article, we present the challenges that arise when carrying out spectroscopic
simulations within periodic boundary conditions. We present approaches which were …

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 …

The α-T 3 system undergoes a topological phase transition (TPT) between two distinct
quantum spin-Hall phases across α= 0.5 when the spin-orbit interaction of Kane-Mele type is …

We study the orbital magnetic quadrupole moment (MQM) in three dimensional higher-order
topological phases. Much like electric quadrupole moment, which is associated with a …

In this work, we use the local spin Chern marker (LSCM) recently introduced by Baù and
Marrazzo [Phys. Rev. B 110, 054203 (2024) 2469-9950 10.1103/PhysRevB. 110.054203] to …

The magnetic circular dichroism sum rule yields an extremely useful ground-state
observable, which provides a quantitative measure of spontaneous time-reversal symmetry …

The magnetic moment in a solid is usually associated with the electron spins but there is an
additional contribution due to the orbital motion of the electrons. For a finite system such as …