From the 1 of 12 linked papers with an AI index.
12 papers
Localized Excitons and Exciton-Phonon Coupling in Antiferromagnetic AgCrP2S6
Jessica McDivitt, Dimitar Pashov, Mark van Schilfgaarde +4
AgCrP2S6 combines a low-symmetry thiophosphate framework with an antiferromagnetic Cr sublattice and nonmagnetic Ag sites, providing a setting in which covalency and magnetic local…
Manipulation of localized excitons in CrPS by temperature and magnetic field
Dipankar Jana, Swagata Acharya, Amit Pawbake +9
Layered van der Waals magnetic semiconductors provide a versatile platform for exploring excitonic phenomena intertwined with spin and lattice degrees of freedom, enabling excitons…
Magnetic exchange interactions in the molecular orbital spin system NaV2O5 from a distributed moment point of view
Claudio Garcia, Ilteris K. Turan, Swagata Acharya +3
The magnetism in NaV2O5 results from doping of the narrow split-off conduction band of V2O5, which becomes half-filled and leads to a Mott-insulating splitting of spin resolved ban…
Tunable Magneto-Excitonic Coupling in Alloyed van der Waals Antiferromagnet
Maciej Smiertka, Oliwia Janikowska, Katarzyna Olkowska-Pucko +18
The paper studies how adding chlorine to the van der Waals antiferromagnet CrSBr changes its electronic and excitonic properties, making excitons more localized and weakening their…
Bright and Dark Excitons in CrSBr: Local Ligand-Field Character and Band-Coherent Optical Selection Rules
Swagata Acharya, Jessica McDivitt, Dimitar Pashov +3
Magnetic van der Waals semiconductors such as CrSBr host an intricate exciton landscape whose physical interpretation has converged only recently. A many-body Feynman diagrammatic…
Bond, orbital and spin order in d4/d6/d7 perovskite oxides: successes and limitations of foundation interatomic potentials
Swagata Acharya, Dimitar Pashov, Mark van Schilfgaarde +1
Foundation machine-learning interatomic potentials (MLIPs) are rapidly replacing density-functional theory (DFT) for modeling structure and nuclear dynamics, making their fidelity…