2.2k citations · 5.9k across the 62 of their papers we have counts for
64 papers
Magnetic-configuration design for reliable Heisenberg exchange parameters
Ben Li, Stephan von Malottki, Gian-Marco Rignanese
The determination of magnetic exchange interactions is essential for the quantitative description and predictive modeling of magnetic materials. In this work, we present a neighbor…
First-Principles Spin-Lattice Coupling from Downfolded Electron-Phonon Interaction
Xu He, Álvaro Adrián Carrasco Álvarez, Gian-Marco Rignanese +3
We present a method to calculate spin-phonon coupling parameters from first-principles perturbation theory by downfolding the electron-phonon coupling (EPC). We exploit the localiz…
Optical decoherence in Er-doped CeO spin qubit platforms
Vrindaa Somjit, Ignas Masiulionis, Gregory D. Grant +7
Erbium ions (Er) in cerium dioxide (CeO) represent a promising spin-photon interface for quantum communication, but the mechanisms limiting their optical coherence remai…
Short-range order in the CoCrFeMnNi high-entropy alloy from cluster expansion
Wei Chen, Gian-Marco Rignanese, Geoffroy Hautier
We investigate the short-range order (SRO) and phase stability of the equiatomic CoCrFeMnNi high-entropy alloy using cluster expansion supplemented by an eigen-decomposition analys…
Towards MatCore: A Unified Metadata Standard for Materials Science
Jane Greenberg, Pamela Boveda-Aguirre, John Allison +18
The materials science community seeks to support the FAIR principles for computational simulation research. The MatCore Project was recently launched to address this need, with the…
Surface-plasmon polaritons in multilayer jellium systems: dispersion and spatial description
Alexandre Cloots, Tanguy Colleu, Vincent Liégeois +3
Surface-plasmon polaritons (SPPs) are electromagnetic waves that propagate along metal-dielectric interfaces, with important applications in sensing, energy, and nanotechnology. Wh…