29.3k citations · 47.2k across the 133 of their papers we have counts for
36 papers · 1 filter
Misfit layer superconductors, tuneable bulk heterostructures with strong 2D effects
Tomas Samuely, Martin Gmitra, Tristan Cren +2
Atomically thin layered materials are systems with zero limit bulk-to-surface ratio. Their physical properties are determined by two-dimensionality and strongly affected by interfa…
Protection of Ising spin-orbit coupling in bulk misfit superconductors
Tomas Samuely, Darshana Wickramaratne, Martin Gmitra +16
Low-dimensional materials have remarkable properties that are distinct from their bulk counterparts. A paradigmatic example is Ising superconductivity that occurs in monolayer mate…
Competition between phonon mediated superconductivity and carriers localization in field-effect doped molybdenum dichalcogenides
Giovanni Marini, Matteo Calandra
Superconductivity occurs in electrochemically doped molybdenum dichalcogenides samples thicker than four layers. While the critical temperature (Tc) strongly depends on the field e…
Why Mercury is a superconductor
Cesare Tresca, Gianni Profeta, Giovanni Marini +4
Despite being the oldest known superconductor, solid mercury is mysteriously absent from all current computational databases of superconductors. In this work, we present a critical…
Electric field exfoliation and high-T superconductivity in field-effect hole-doped hydrogenated diamond (111)
Davide Romanin, Thibault Sohier, Dario Daghero +3
We investigate the possible occurrence of field-effect induced superconductivity in the hydrogenated diamond surface by first-principles calculations. By computing the band…
Quantum Crystal Structure in the 250 K Superconducting Lanthanum Hydride
Ion Errea, Francesco Belli, Lorenzo Monacelli +8
The discovery of superconductivity at 200 K in the hydrogen sulfide system at large pressures [1] was a clear demonstration that hydrogen-rich materials can be high-temperature sup…
Exchange Enhancement of the Electron-Phonon Interaction: the Case of Weakly Doped Two-Dimensional Multivalley Semiconductors
Betul Pamuk, Paolo Zoccante, Jacopo Baima +2
The effect of the exchange interaction on the vibrational properties and on the electron-phonon coupling were investigated in several recent works. In most of the case, exchange te…
High- superconductivity in weakly electron-doped HfNCl
Betül Pamuk, Francesco Mauri, Matteo Calandra
We investigate the magnetic and superconducting properties in electron-doped LiHfNCl. HfNCl is a band insulator that undergoes an insulator to superconductor transition upon do…
Anharmonicity and the isotope effect in superconducting lithium at high pressures: a first-principles approach
Miguel Borinaga, Unai Aseginolaza, Ion Errea +3
Recent experiments [Schaeffer 2015] have shown that lithium presents an extremely anomalous isotope effect in the 15-25 GPa pressure range. In this article we have calculated the a…
Anharmonic effects in atomic hydrogen: superconductivity and lattice dynamical stability
Miguel Borinaga, Ion Errea, Matteo Calandra +2
We present first-principles calculations of metallic atomic hydrogen in the 400-600 GPa pressure range in a tetragonal structure with space group , which is predicted to…
Spin susceptibility and electron-phonon coupling of two-dimensional materials by range-separated hybrid density functionals: Case study of LiZrNCl
Betül Pamuk, Jacopo Baima, Roberto Dovesi +2
We investigate the capability of density functional theory (DFT) to appropriately describe the spin susceptibility, , and the intervalley electron-phonon coupling in LiZrN…
Quantum Hydrogen-Bond Symmetrization and High-Temperature Superconductivity in Hydrogen Sulfide
Ion Errea, Matteo Calandra, Chris J. Pickard +7
Hydrogen compounds are peculiar as the quantum nature of the proton can crucially affect their structural and physical properties. A remarkable example are the high-pressure phases…
Dissociation products and structures of solid H2S at strong compression
Yinwei Li, Lin Wang, Hanyu Liu +11
Hydrogen sulfides have recently received a great deal of interest due to the record high superconducting temperatures of up to 203 K observed on strong compression of dihydrogen su…
Strong anharmonicity induces quantum melting of charge density wave in 2H-NbSe under pressure
Maxime Leroux, Ion Errea, Mathieu Le Tacon +7
The interplay between charge density wave (CDW) order and superconductivity has attracted much attention. This is the central issue of along standing debate in simple transition me…
Hydrogen sulphide at high pressure: a strongly-anharmonic phonon-mediated superconductor
Ion Errea, Matteo Calandra, Chris J . Pickard +7
We use first principles calculations to study structural, vibrational and superconducting properties of HS at pressures GPa. The inclusion of zero point energy leads…
Universal enhancement of superconductivity in two dimensional semiconductors at low doping by electron-electron interaction
Matteo Calandra, Paolo Zoccante, Francesco Mauri
In two-dimensional multivalley semiconductors, at low doping, even a moderate electron-electron interaction enhances the response to any perturbation inducing a valley polarization…
First-Principles Theory of Anharmonicity and the Inverse Isotope Effect in Superconducting Palladium-Hydride Compounds
Ion Errea, Matteo Calandra, Francesco Mauri
Palladium hydrides display the largest isotope effect anomaly known in literature. Replacement of hydrogen with the heavier isotopes leads to higher superconducting temperatures, a…
Anharmonic suppression of Charge density wave in 2H-NbS
Maxime Leroux, Mathieu Le Tacon, Matteo Calandra +6
The temperature dependence of the phonon spectrum in the superconducting transition metal dichalcogenide 2H-NbS is measured by diffuse and inelastic x-ray scattering. A deep, w…
Local and non-local electron-phonon couplings in K3Picene and the effect of metallic screening
Michele Casula, Matteo Calandra, Francesco Mauri
We analyze the properties of electron-phonon couplings in K3Picene by exploiting a molecular orbital representation derived in the maximally localized Wannier function formalism. T…
Intercalant and intermolecular phonon assisted superconductivity in K-doped picene
Michele Casula, Matteo Calandra, Gianni Profeta +1
K-picene is a superconducting molecular crystal with critical temperature TK or 18K, depending on preparation conditions. Using density functional theory we show that ele…
How to make graphene superconducting
Gianni Profeta, Matteo Calandra, Francesco Mauri
Graphene is the physical realization of many fundamental concepts and phenomena in solid state-physics, but in the long list of graphene remarkable properties, a fundamental block…
Comparative study of the phonons in non-superconducting BaC6 and superconducting CaC6 using inelastic x-ray scattering
A. C. Walters, C. A. Howard, M. H. Upton +8
The low energy phonons of two different graphite intercalation compounds (GICs) have been measured as a function of temperature using inelastic x-ray scattering (IXS). In the case…
Effects of magnetism and doping on the electron-phonon coupling in BaFeAs
Lilia Boeri, Matteo Calandra, Igor I. Mazin +2
We calculate the effect of local magnetic moments on the electron-phonon coupling in BaFeAs using the density functional perturbation theory. We show that the magneti…
Neutron scattering study of the high energy graphitic phonons in superconducting CaC
M. P. M. Dean, A. C. Walters, C. A. Howard +7
We present the results of a neutron scattering study of the high energy phonons in the superconducting graphite intercalation compound CaC. The study was designed to address hi…