output
20062026
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2021Show all

50 papers · 1 filter

cond-mat.mtrl-sci2021★ 24 cited

Covalent Organic Functionalization of Graphene Nanosheets and Reduced Graphene Oxide via 1,3-Dipolar Cycloaddition of Azomethine Ylide

Luca Basta, Aldo Moscardini, Filippo Fabbri +7

Organic functionalization of graphene is successfully performed via 1,3-dipolar cycloaddition of azomethine ylide in the liquid phase. The comparison between 1-methyl-2-pyrrolidino…

cond-mat.mtrl-sci2021★ 36 cited

Temperature- and vacancy-concentration-dependence of heat transport in LiClO from multi-method numerical simulations

Paolo Pegolo, Stefano Baroni, Federico Grasselli

Despite governing heat management in any realistic device, the microscopic mechanisms of heat transport in all-solid-state electrolytes are poorly known: existing calculations, all…

cond-mat.mes-hall2021★ 15 cited

Nonreciprocal spin-wave dynamics in Pt/Co/W/Co/Pt multilayers

Krzysztof Szulc, Simon Mendisch, Michał Mruczkiewicz +3

We present a detailed study of the spin-wave dynamics in single Pt/Co/W and double Pt/Co/W/Co/Pt ferromagnetic layer systems. The dispersion of spin waves was measured by wavevecto…

cond-mat.mes-hall2021★ 1 cited

Possible realization of a phononic tsunami in a wedge-shaped sample

Yuriy Yerin, Andrey Varlamov, Claudia Fasolato +3

Exploiting the theory of solitons in a nonlinear elastic medium we predict a novel phenomenon called a phononic tsunami, which is characterized by the dramatic increase of the loca…

cond-mat.mes-hall2021★ 6 cited

From the spin eigenmodes of isolated Néel skyrmions to the magnonic bands of a skyrmionic crystal: a micromagnetic study as a function of the strength of both the interfacial Dzyaloshinskii-Moriya and the exchange constants

Mattia Bassotti, Raffaele Silvani, Giovanni Carlotti

The presence of interfacial Dzyaloshinskii-Moriya interaction (DMI) may lead to the appearance of Néel skyrmions in ferromagnetic films. These topologically protected structures, w…

cond-mat.str-el2021★ 7 cited

Competing Correlated Insulators in multi-orbital systems coupled to phonons

A. Scazzola, A. Amaricci, M. Capone

We study the interplay between electron-electron interaction and a Jahn-Teller phonon coupling in a two-orbital Hubbard model. We demonstrate that the e-ph interaction coexists wit…