Latest results (since Jan. 2020)
- Intrinsic vibrational angular momentum from non-adiabatic effects in non-collinear magnetic molecules
- Oliviero Bistoni, Francesco Mauri, Matteo Calandra arxiv 2104.11089, to appear on Physical Review Letters
- Ab-initio energetics of graphite and multilayer graphene: stability of Bernal versus rhombohedral stacking
- JP Nery, M Calandra, F Mauri 2D materials 8, 035006 (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 arxiv 2103.03973
- Misfit Layer Compounds: A Platform for Heavily Doped 2D Transition Metal Dichalcogenides
- R. Leriche et al. Adv. Funct. Materials 31, 2007706 (2021)
- Electronic structure of TiSe2 from a quasi-self-consistent G0W0 approach
- M Hellgren, L Baguet, M Calandra, F Mauri, L Wirtz Physical Review B 103, 075101 (2021)
- van der Waals driven anharmonic melting of the 3D charge density wave in VSe 2
- 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)
- Weak Dimensionality Dependence and Dominant Role of Ionic Fluctuations in the Charge-Density-Wave Transition of NbSe2
- R. Bianco et al. Physical Review Letters 125, 106101 (2020)
- Misfit Layer Compounds: A Platform for Heavily Doped 2D Transition Metal Dichalcogenidesi
- R. T. Leriche et al. Advanced Functional Materials, 2007706 (2020)
- Anharmonicity and Doping Melt the Charge Density Wave in Single-Layer TiSe2
- J. Zhou et al. Nano Lett. 20, 4809–4815 (2020)
- Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride,
- I. Errea, et al. Nature 578, 66(2020)
- Weak Dimensionality Dependence and Dominant Role of Ionic Fluctuations in the Charge-Density-Wave Transition of NbSe2
- R. Bianco et al. Phys. Rev. Lett. 125, 106101 (2020)
- Theory of the Thickness dependece of the charge density wave transition in 1T-TiTe2,
- J Sky Zhou et al. 2D Materials (2020)
- Long-range rhombohedral-stacked graphene through shear,
- JP Nery, M Calandra, F Mauri Nano Lett. 20, 5017 (2020)
- Hybrid-functional electronic structure of multilayer graphene,
- M. Campetella, N. M. Nguyen, J. Baima, L. Maschio, F. Mauri and M. Calandra Phys. Rev. B 101, 165437 (2020)
- Electronic structure of pristine and Ni-substituted LaFeO3 from near edge x-ray absorption fine structure experiments and first-principles simulations,
- I. Timrov et al. Phys. Rev. Research 2, 033265 (2020)
- Thermal conductivity of Bi2Se3 from bulk to thin films: theory and experiment
- L. Paulatto, D. Fournier, M. Marangolo, M. Eddrief, P. Atkinson, M. Calandra Phys. Rev. B 101, 205419 (2020)