6 papers
First-principles real-space embedding theory of the superconducting proximity effect
Nicolas Baù, Nicolas Baù, Mitra Dowlatabadi +3
When a superconductor is placed in contact with a normal material, Cooper pairs penetrate the latter and induce superconductivity via the proximity effect. Despite its central role…
Dynamical pseudopotentials
Matteo Quinzi, Tommaso Chiarotti, Nicola Marzari
Pseudopotential theory has greatly driven first-principles calculations in materials, replacing the explicit treatment of the chemically inert core electrons with an effective pote…
Electronic Structure and Dynamical Correlations in Antiferromagnetic BiFeO
Yihan Wu, Mario Caserta, Tommaso Chiarotti +1
We study the electronic structure and dynamical correlations in antiferromagnetic BiFeO, a prototypical room-temperature multiferroic, using a variety of static and dynamical f…
Self-consistent dynamical Hubbard functional for correlated solids
Tommaso Chiarotti, Matteo Quinzi, Andrea Pintus +3
Many-body functionals of the Green's function can provide fundamental advances in electronic-structure calculations, due to their ability to accurately predict both spectral and th…
Broken symmetry solutions in one-dimensional lattice models via many-body perturbation theory
Matteo Quinzi, Tommaso Chiarotti, Marco Gibertini +1
In this work we study self-consistent solutions in one-dimensional lattice models obtained via many-body perturbation theory. The Dyson equation is solved in a fully self-consisten…
Dynamical Hubbard approach to correlated materials: the case of transition-metal monoxides
Mario Caserta, Tommaso Chiarotti, Marco Vanzini +1
Electronic correlations beyond static mean-field theories are of fundamental importance in describing the properties of complex materials - such as transition-metal oxides - where…