ERC Advanced Grant
Discovering light induced phases by first principles materials design
PI: Matteo Calandra
Starting date : October 2022
The goal of the ERC DELIGHT is to develop a theoretical
strategy to predict
and discover photoinduced phases in materials. It aims
at answering some of the following questions. Which systems
undergo light induced phase transitions ? Can we use light pulses
to enhance or tune charge density wave, ferroelectric and
magnetic critical temperatures, to generate new topological
phases or to optimize the properties of thermoelectric materials ?
Can we develop an inverse design strategy, namely given a target
property, determine which material will have to be photoexcited
and at which fluence to obtain it ?
Highlights
First-Order Rhombohedral-to-Cubic Phase Transition in Photoexcited GeTe,
M. Furci, G. Marini and M. Calandra, Phys. Rev. Lett. 132, 236101 (2024)
Ultrafast creation of a light-induced semimetallic state in strongly excited 1T-TiSe2,
Maximilian huber et al., Sciences Advances 10, eadl4481(2024).
Optical absorption and photoluminescence of single layer boron nitride from a first principles cumulant approach
Giovanni Marini, Matteo Calandra, Pierluigi Cudazzo, Nano Letters 24, 20, 6017 (2024)
Theory of infrared double-resonance Raman spectrum in graphene: The role of the zone-boundary electron-phonon enhancement
L. Graziotto et al, Phys. Rev. B 109, 075420 (2024)
Infrared Resonance Raman of Bilayer Graphene: Signatures of Massive Fermions and Band Structure on the 2D Peak
L. Graziotto et al, Nano Lett. 24, 6, 1867–1873 (2024)
EPIq: An open-source software for the calculation of electron-phonon interaction related properties,
G. Marini et al, Computer Physics Communications 295, 108950 (2024)
Born effective charges and vibrational spectra in superconducting and bad conducting metals
G. Marchese et al, Nature Physics 20, 88–94 (2024)
Light-Induced Nonthermal Phase Transition to the Topological Crystalline Insulator State in SnSe
S. Mocatti, G. Marini and M. Calandra, J. Phys. Chem. Lett. 2023, 14, 41, 9329–9334 (2023)
Probing enhanced electron-phonon coupling in graphene by infrared resonance Raman spectroscopy
T. Venanzi et al. Phys. Rev. Lett. 130, 256901 (2023)
Theory of ultrafast magnetization of nonmagnetic semiconductors
with localized conduction bands
Giovanni Marini and Matteo Calandra, Phys. Rev. B 105,
L220406 (2022)
Light-Tunable Charge Density Wave Orders in and Single Layers
Giovanni Marini and Matteo Calandra,
Phys. Rev. Lett. 127, 257401 (2021)
Lattice dynamics of photoexcited insulators from constrained density-functional perturbation theory
Giovanni Marini and Matteo Calandra,
Physical Review B 104, 144103 (2021)
Meetings
18th of January 2023 - Meeting in Padova on photoinduced phase transition, in collaboration with
Prof. Giulio Monaco.. (Program, Pictures).
People Involved
Prof. Raffaello Potestio
Prof. Pierluigi Cudazzo (RTDb)
Dr. Giovanni Marini (RTDa)
Dr. Kris Holtgrewe (Postdoc)
Andrea Corradini (PhD)
Matteo Furci (PhD)
Stefano Mocatti (PhD)
Giulio volpato (PhD)
