From the 1 of 10 linked papers with an AI index.
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Unconventional and Fragile Magnetic Exciton in a van der Waals Quantum Magnet
Kai-Xuan Zhang, Min Zhang, Minjae Kim +25
The study investigates a magnetic exciton in the van der Waals antiferromagnet NiPS3, showing that its sharp, optically bright emission is quickly quenched by modest hydrostatic pr…
Agentic multi-fidelity learning of quasiparticle and excitonic properties
Arnab Neogi, Aaron Forde, Christopher A. Lane +2
Many-body GW-Bethe-Salpeter equation calculations are essential for accurate simulations of electronic structure and optical properties in modern low-dimensional nanomaterials. How…
Competing Magnetic Ground States in Copper-Doped PbPO
Lin Hou, Kevin Allen, Christopher Lane +1
We investigate the electronic and magnetic properties of copper-doped Pb(PO)O using a combination of density functional theory and many-body perturbation theory. The…
Magnetism Enhanced Surface Bonding of O on CoPt
Kevin Allen, Christopher Lane, Emilia Morosan +1
For large-scale deployment and use of polymer electrolyte fuel cells, high-performance electrocatalysts with low platinum consumption are desirable. One promising strategy to meet…