7.7k citations · 7.8k across the 12 of their papers we have counts for
12 papers
Tunable Electronic Correlations in 135-Kagome Metals
Matteo Crispino, Niklas Witt, Stefan Enzner +4
Kagome metals exhibit rich correlated-electron physics, yet a systematic understanding of the degree of correlation across transition-metal species remains elusive. Using density-f…
Local-moment magnetism in Mn-based pnictides
Matteo Crispino, Niklas Witt, Tommaso Gorni +2
We report a comprehensive study of electronic-correlation effects in Manganese-based antiferromagnetic pnictides BaMnPn (Pn=P,As,Sb,Bi). Our density functional theory plus…
Paradigm for finding d-electron heavy fermions: the case of Cr-doped CsFeAs
Matteo Crispino, Pablo Villar Arribi, Anmol Shukla +8
We define a general strategy for finding new heavy-fermionic materials without rare-earth elements: doping a Hund metal with pronounced orbital-selective correlations towards half-…
Manipulation of the magnetic state of a porphyrin-based molecule on gold: From Kondo to quantum nanomagnet via the charge fluctuation regime
Yingzheng Gao, Sergio Vlaic, Tommaso Gorni +4
By moving individual Fe-Porphyrin-based molecules with the tip of Scanning Tunneling Microscope in the vicinity of a Br-atom containing elbow of the herringbone-reconstructed Au(11…
Slave-spin mean field for broken-symmetry states: Néel antiferromagnetism and its phase separation in multi-orbital Hubbard models
Matteo Crispino, Maria Chatzieleftheriou, Tommaso Gorni +1
We introduce the generalization of the Slave-Spin Mean-Field method to broken-symmetry phases. Through a variational approach we derive the single-particle energy shift in the mean…
First-principles study of the gap in the spin excitation spectrum of the CrI honeycomb ferromagnet
Tommaso Gorni, Oscar Baseggio, Pietro Delugas +2
The nature of the gap observed at the zone border in the spin-excitation spectrum of CrI quasi-2D single crystals is still controversial. We perform first-principles calculatio…
Rationalizing doping and electronic correlations in LaFeAs
Tommaso Gorni, Diego Florez-Ablan, Luca de' Medici
We compute the electronic properties of the normal state of uncollapsed LaFeAs, taking into account local dynamical correlations by means of slave-spin mean-field+density-f…
turboMagnon -- A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
Tommaso Gorni, Oscar Baseggio, Pietro Delugas +2
We introduce turboMagnon, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate spin-wave spectra in soli…
Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of CrI two-dimensional magnets
Pietro Delugas, Oscar Baseggio, Iurii Timrov +2
Recent neutron-diffraction experiments in honeycomb CrI quasi-2D ferromagnets have evinced the existence of a gap at the Dirac point in their spin-wave spectra. The existence o…
Accurate modeling of FeSe with screened Fock exchange and Hund's metal correlations
Tommaso Gorni, Pablo Villar Arribi, Michele Casula +1
We reproduce the electronic properties of FeSe in the high-temperature phase within an ab initio framework that includes screened Fock exchange and local dynamical correlations. We…
Spin dynamics from time-dependent density functional perturbation theory
Tommaso Gorni, Iurii Timrov, Stefano Baroni
We present a new method to model spin-wave excitations in magnetic solids, based on the Liouville-Lanczos approach to time-dependent density functional perturbation theory. This me…
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-…