3 papers
cond-mat.mtrl-sci2025
Coupling between ferroelectric distortions and excitonic properties in PbTiO
Pietro Pacchioni, Lorenzo Varrassi, Cesare Franchini
PbTiO is a ferroelectric perovskite semiconductor with favourable electronic and optical properties, making it suitable for a wide range of applications, including photo-cataly…
cond-mat.mtrl-sci2025
AMaRaNTA: Automated First-Principles Exchange Parameters In 2D Magnets
Federico Orlando, Andrea Droghetti, Lorenzo Varrassi +7
Two-dimensional (2D) magnets host a wide range of exotic magnetic textures, whose low-energy excitations and finite-temperature properties are typically described by effective spin…
cond-mat.mtrl-sci2024
Automated Workflow for Accurate High-Throughput GW Calculations
Lorenzo Varrassi, Florian Ellinger, Espen Flage-Larsen +4
The GW approximation represents the state-of-the-art ab-initio method for computing excited-state properties. Its execution requires control over a larger number of (often interdep…