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Universal Scaling in Intrinsic Resistivity of Two-Dimensional Metal Borophene
Jin Zhang, Jia Zhang, Cai Cheng +4
Two-dimensional boron sheets (borophenes) have been successfully synthesized in experiments and are expected to exhibit intriguing transport properties such as the emergence of sup…
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme +47
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…
Origin of superconductivity and latent charge density wave in NbS
Christoph Heil, Samuel Poncé, Henry Lambert +3
We elucidate the origin of the phonon-mediated superconductivity in 2-NbS using the ab initio anisotropic Migdal-Eliashberg theory including Coulomb interactions. We demonst…
Ab initio calculation of spin fluctuation spectra using time dependent density functional perturbation theory, planewaves, and pseudopotentials
Kun Cao, Henry Lambert, Paolo G. Radaelli +1
We present an implementation of time-dependent density functional perturbation theory for spin fluctuations, based on planewaves and pseudopotentials. We compute the dynamic spin s…
Non-adiabatic Kohn Anomaly in Heavily Boron-doped Diamond
Fabio Caruso, Moritz Hoesch, Philipp Achatz +4
We report evidence of a non-adiabatic Kohn anomaly in boron-doped diamond, using a joint theoretical and experimental analysis of the phonon dispersion relations. We demonstrate th…
Origin of the crossover from polarons to Fermi liquids in transition metal oxides
C. Verdi, F. Caruso, F. Giustino
Transition metal oxides (TMOs) host a wealth of exotic phenomena ranging from charge, orbital, and magnetic order to nontrivial topological phases and superconductivity. In order t…