Publication
Possible spin-orbit driven spin-liquid ground state in the double perovskite phase of Ba
Publications associées (40)
First-Principles Thermodynamics of CsSnI3
Nicola Marzari, Lorenzo Monacelli
CsSnI3 is a promising ecofriendly solution for energy harvesting technologies. It exists at room temperature in either a black perovskite polymorph or a yellow 1D double-chain, which irreversibly deteriorates in the air. In this work, we unveil the relativ ...
AMER CHEMICAL SOC2023Brokering between tenants for an international materials acceleration platform
Giovanni Pizzi, Ivano Eligio Castelli, Francisco Fernando Ramirez
The efficient utilization of resources in accelerated materials science necessitates flexible, reconfigurable software-defined research workflows. We demonstrate a brokering approach to modular and asynchronous research orchestration to integrate multiple ...
CELL PRESS2023Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of CrI3 two-dimensional magnets
Recent neutron-diffraction experiments in honeycomb CrI3 quasi-2D ferromagnets have evinced the existence of a gap at the Dirac point in their spin-wave spectra. The existence of this gap has been attributed to strong in-plane Dzyaloshinskii-Moriya or Kita ...
AMER PHYSICAL SOC2023First-principles study of the gap in the spin excitation spectrum of the CrI3 honeycomb ferromagnet
The nature of the gap observed at the zone border in the spin excitation spectrum of CrI3 quasitwo-dimensional single crystals is still controversial. We perform first-principles calculations based on time-dependent density functional perturbation theory, ...
College Pk2023turboMagnon - A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
We introduce turboMagnon, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate spin-wave spectra in solid-state materials. The code is based on the noncollinear spin-polarized fram ...
ELSEVIER2022Magnetic Resonance and Hyperpolarization Methods for Perovskite Photovoltaics
Solid-state NMR can provide information about the atomic-level microstructure and dynamics in materials as it directly probes the local nuclear environment. In the last decade, halide perovskites have drawn intense interest because of their intriguing opto ...
EPFL2022Order and dynamics in Kagome like compound Cu2OSO4 and other quantum magnets
This thesis presents results of studies of novel compounds modeling complex fundamental physics phenomena. Cu2OSO4 is a copper based magnetic Mott Insulator system, where spin half magnetic moments form a new type of lattice. These intrinsically quantum pi ...
EPFL2021Static and dynamic properties of non-collinear quantum antiferromagnets explored by neutron scattering
This thesis is devoted to the investigation of static and dynamic properties of
two different sets of quantum magnets with neutron scattering techniques and
the help of linear spin wave theory.
Both systems are copper-based with spin-1/2, which makes them ...
EPFL2021Journal of Physics: Conference Series High-pressure specific heat technique to uncover novel states of quantum matter
Henrik Moodysson Rønnow, Julio Antonio Larrea Jiménez
AC-specific heat measurements remain as the foremost thermodynamic experimental method to underpin phase transitions in tiny samples. However, its performance under combined extreme conditions of high-pressure, very low temperature and intense magnetic fie ...
IOP PUBLISHING LTD2020Nuclear Quantum Effects: Fast and Accurate
Atomistic simulations are a bottom up approach that predict properties
of materials by modelling the quantum mechanical behaviour of all electrons
and nuclei present in a system. These simulations, however, routinely assume
nuclei to be classical particles ...
EPFL2020