Distinguishing different stackings in layered materials via luminescence spectroscopy
Distinguishing different stackings in layered materials via luminescence spectroscopy
M. Zanfrognini, A. Plaud, I. Stenger, F. Fossard, L. Sponza, L. Schué, F. Paleari, E. Molinari, D. Varsano, L. Wirtz, F. Ducastelle, A. Loiseau, and J. Barjon
Phys. Rev. Lett. 131, 206902 (2023) 10.1103/PhysRevLett.131.206902
First-principles study of the gap in the spin excitation spectrum of the CrI 3 honeycomb ferromagnet
First-principles study of the gap in the spin excitation spectrum of the CrI 3 honeycomb ferromagnet
T. Gorni, O. Baseggio, P. Delugas, I. Timrov, and S. Baroni
Phys. Rev. B 107, L220410 (2023) 10.1103/PhysRevB.107.L220410
Hydrodynamic finite-size scaling of the thermal conductivity in glasses
Hydrodynamic finite-size scaling of the thermal conductivity in glasses
A. Fiorentino, P. Pegolo, and S. Baroni
npj Computational Materials 9, 157 (2023) 10.1016/j.cpc.2017.09.007
Seebeck Coefficient of Liquid Water from Equilibrium Molecular Dynamics
Seebeck Coefficient of Liquid Water from Equilibrium Molecular Dynamics
E. Drigo and S. Baroni
J. Chem. Theory Comput. 2023, 19, 23, 8855–8860 (2023) 10.1021/acs.jctc.3c00760
Excitonic effects in energy loss spectra of freestanding graphene
Excitonic effects in energy loss spectra of freestanding graphene
Nano Lett. 23, 24, 11835–11841 (2023) 10.1021/acs.nanolett.3c03863
Strong Coupling of Coherent Phonons to Excitons in Semiconducting Monolayer MoTe2
Strong Coupling of Coherent Phonons to Excitons in Semiconducting Monolayer MoTe2
C. J. Sayers, A. Genco, C. Trovatello, S. Dal Conte, V. O. Khaustov, J. Cervantes-Villanueva, D. Sangalli, A. Molina-Sanchez, C. Coletti, C. Gadermaier, and G. Cerullo
Nano Lett., 23, 20, 9235–9242 (2023) 10.1021/acs.nanolett.3c01936
Heat conductivity from energy-density fluctuations
Heat conductivity from energy-density fluctuations
E. Drigo, M. G. Izzo, and S. Baroni
J. Chem. Phys. 159, 184107 (2023) 10.1063/5.0168732
Strong magnetic proximity effect in van der Waals heterostructures driven by direct hybridization
Strong magnetic proximity effect in van der Waals heterostructures driven by direct hybridization
C. Cardoso, A. T. Costa, A. H. MacDonald, and J. Fernández-Rossier
Phys. Rev. B 108, 184423 (2023) 10.1103/PhysRevB.108.184423
QUANTUM ESPRESSO: One Further Step toward the Exascale
QUANTUM ESPRESSO: One Further Step toward the Exascale
I. Carnimeo, F. Affinito, S. Baroni, O. Baseggio, L. Bellentani, R. Bertossa, P. D. Delugas, F. Ferrari Ruffino, S. Orlandini, F. Spiga, and P. Giannozzi
J. Chem. Theory Comput. (2023) 10.1021/acs.jctc.3c00249
koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals
koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals
E. B. Linscott, N. Colonna, R. De Genanro, N. L. Nguyen, G. Borghi, and A. Ferretti
J. of Chem. Theory and Computation (2023) 10.1021/acs.jctc.3c00652