Latest results


Optical absorption and photoluminescence of single layer boron nitride from a first principles cumulant approach
Giovanni Marini, Matteo Calandra, Pierluigi Cudazzo, arXiv:2402.03826
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)
Electrical tuning of the magnetic properties of 2D magnets: the case of Cr2Ge2Te6
G. Menichetti, M. Calandra and M. Polini, arXiv:2312.02887
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)
Electronic structure and lattice dynamics of 1T-VSe2: origin of the 3D-CDW
J. Diego et al. Phys. Rev. B 109, 035133 (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)
Electron-phonon driven charge density wave in CuTe
Marco Campetella, Giovanni Marini, Jianqiang Sky Zhou, and Matteo Calandra Phys. Rev. B 108, 024304 (2023)
Misfit layer compounds as ultra-tunable field effect transistors: from charge transfer control to emergent superconductivity
Ludovica Zullo, Giovanni Marini, Tristan Cren, Matteo Calandra Nano Letters 23, 6658 (2023), Dataset available at 10.5281/zenodo.8385932
Dynamical effects on photoluminescence spectra from first principles: A many-body Green's function approach
P. Cudazzo, Phys. Rev. B 108, 165101 (2023)
Protection of Ising spin-orbit coupling in bulk misfit superconductors,
T. Samuely et al. Phys. Rev. B 108, L220501 (2023)
Temperature-Dependent Anharmonic Phonons in Quantum Paraelectric KTaO3 by First Principles and Machine-Learned Force Fields
Luigi Ranalli, Carla Verdi, Lorenzo Monacelli, Georg Kresse, Matteo Calandra, Cesare Franchini, Advanced Quantum technologies 2200131 (2023)
Probing enhanced electron-phonon coupling in graphene by infrared resonance Raman spectroscopy
T. Venanzi et al. Phys. Rev. Lett. 130, 256901 (2023)
Importance of measuring accurately LDOS maps using scanning tunneling spectroscopy in materials presenting atom-dependent charge order: the case of the correlated Pb/Si(111) single atomic layer
C. Tresca et al. Phys. Rev. B 107, 035125 (2023)



Light-Tunable Charge Density Wave Orders in and Single Layers
Giovanni Marini and Matteo Calandra, Phys. Rev. Lett. 127, 257401 (2021)
Polar magnetic metallic state in few-layer BiFeO3
Marco Campetella and Matteo, Calandra, Phys. Rev. B 104, 174111 (2021)
Dominant Role of Quantum Anharmonicity in the Stability and Optical Properties of Infinite Linear Acetylenic Carbon Chains
Davide Romanin, Lorenzo Monacelli, Raffaello Bianco, Ion Errea, Francesco Mauri, Matteo Calandra, J. Phys. Chem. Lett., 12, 10339 (2021)
Lattice dynamics of photoexcited insulators from constrained density-functional perturbation theory
Giovanni Marini and Matteo Calandra, Physical Review B 104, 144103 (2021)
Charge density wave in single-layer Pb/Ge (111) driven by Pb-substrate exchange interaction
Cesare Tresca and Matteo Calandra, Physical Review B 104, 045126 (2021)
The stochastic self-consistent harmonic approximation: calculating vibrational properties of materials with full quantum and anharmonic effects
L Monacelli, R Bianco, M Cherubini, M Calandra, I Errea, F Mauri,Journal of Physics: Condensed Matter 33, 363001 (2021)
Intrinsic Vibrational Angular Momentum from Nonadiabatic Effects in Noncollinear Magnetic Molecules
Oliviero Bistoni, Francesco Mauri and Matteo Calandra, Physical Review Letters 126, 225703 (2021)
2D Monolayer of the 1T’Phase of Alloyed WSSe from Colloidal Synthesis
A Shahmanesh et al. The Journal of Physical Chemistry C 125, 11058 (2021)
Anomalous High‐Temperature Superconductivity in YH6
I.A. Troyan et al. Advanced Materials 33, 2006832 (2021)
Ab-initio energetics of graphite and multilayer graphene: stability of Bernal versus rhombohedral stacking
Jean Paul Nery, M. Calandra and F.Mauri, 2D Materials 8, 035006 (2021)
Misfit Layer Compounds: A Platform for Heavily Doped 2D Transition Metal Dichalcogenides
R.T. Leriche, et al.Adv. Functional Materials, 31, 2007706 (2021)
Electronic structure of from a quasi-self-consistent approach
Maria Hellgren, Lucas Baguet, Matteo Calandra, Francesco Mauri, Ludger Wirtz, Phys. Rev. B 103, 075101 (2021)
Van der Waals driven anharmonic melting of the 3D charge density wave in VSe2
J. Diego et al., Nature Communications 12, 1 (2021)
Black metal hydrogen above 360 GPa driven by proton quantum fluctuations
L Monacelli, I Errea, M Calandra, F Mauri, Nature Physics 17, 63 (2021)