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19982025
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 47.2k across the 133 of their papers we have counts for

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Showing 2019 · cond-mat.mtrl-sciShow all

6 papers · 2 filters

cond-mat.mtrl-sci2019★ 19 cited

Thermal conductivity of BiSe from bulk to thin films: theory and experiment

Lorenzo Paulatto, Danièle Fournier, Massimiliano Marangolo +3

We calculate the lattice-driven in-plane and out-of-plane thermal conductivities of BiSe bulk, and of films of different thicknesses, using…

cond-mat.mtrl-sci2019★ 1 cited

Anharmonic melting of the charge density wave in single-layer TiSe2

Jianqiang Sky Zhou, Lorenzo Monacelli, Raffaello Bianco +3

Low dimensional systems with a vanishing band-gap and a large electron-hole interaction have been proposed to be unstable towards exciton formation. As the exciton binding energy i…

cond-mat.mtrl-sci2019★ 55 cited

Strong anharmonicity and high thermoelectric efficiency in high temperature SnS from first-principles

Unai Aseginolaza, Raffaello Bianco, Lorenzo Monacelli +5

SnS and SnSe are isoelectronic materials with a common phase diagram. Recently, SnSe was found to be the most efficient intrinsic thermoelectric material in its high-temperature Cm…

cond-mat.mtrl-sci2019★ 20 cited

Quantum effects in muon spin spectroscopy within the stochastic self-consistent harmonic approximation

Ifeanyi John Onuorah, Pietro Bonfà, Roberto De Renzi +4

In muon spin rotation experiments the positive implanted muon vibrates with large zero point amplitude by virtue of its light mass. Quantum mechanical calculations of the host mate…

cond-mat.mtrl-sci2019

Competition between exchange-driven dimerization and magnetism in diamond(111)

Betül Pamuk, Matteo Calandra

Strong electron-electron interaction in ultraflat edge states can be responsible for correlated phases of matter, such as magnetism, charge density wave or superconductivity. Here…

cond-mat.mtrl-sci2019★ 91 cited

Quantum enhancement of charge density wave in NbS in the 2D limit

Raffaello Bianco, Ion Errea, Lorenzo Monacelli +2

At ambient pressure, bulk 2H-NbS displays no charge density wave instability at odds with the isostructural and isoelectronic compounds 2H-NbSe, 2H-TaS and 2H-TaSe,…