The geometrical intrinsic contribution to the anomalous Hall conductivity (AHC) of a metal is commonly expressed as a reciprocal-space integral: as such, it only addresses unbounded and macroscopically homogeneous samples. Here we show that the geometrical ...
An insulator differs from a metal because of a different organization of the electrons in their ground state. In recent years this feature has been probed by means of a geometrical property, the quantum metric tensor, which addresses the system as a whole, ...
The macroscopic current density responsible for the mean magnetization M of a uniformly magnetized bounded sample is localized near its surface. In order to evaluate M one needs the current distribution in the whole sample: bulk and boundary. In recent yea ...
Quantum spin Hall insulators make up a class of two-dimensional materials with a finite electronic band gap in the bulk and gapless helical edge states. In the presence of time-reversal symmetry, Z(2) topological order distinguishes the topological phase f ...
Despite the enormous success and popularity of density-functional theory, systematic verification and validation studies are still limited in number and scope. Here, we propose a protocol to test publicly available pseudopotential libraries, based on sever ...
The ground and excited electronic states are responsible for several materials' properties. The modern capability of rapidly solving on a computer the fundamental equations of relativistic or semi-relativistic quantum mechanics allows to compute the electr ...
