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Ethan D'Arcy

Publications and source records attributed to Ethan D'Arcy.

2 recordsLinked to original sources

Holographic realization of higher-spin Carrollian free fields

We provide a holographic bulk realization of Carrollian free-field structures arising in three-dimensional asymptotically flat (higher-spin) gravity. We construct a class of boundary conditions that generalizes the diagonal gauge of Anti-de Sitter to flat spacetimes. We show that the associated asymptotic symmetries decompose into genuine physical transformations and pure gauge redundancies, the latter being generated by Carrollian screening charges. This structure leads to a bulk-born realization of Carrollian Miura transformations, expressing physical observables in terms of celestial free scalars. Our results establish a concrete link between flat space (higher-spin) gravity and a Carrollian Coulomb gas description, thereby providing a promising route toward the quantization of flat holography.

hep-th↗

Accurate bandgaps of photovoltaic kesterites from first-principles DFT+U

Streamlined prediction of the electronic properties of photoactive materials warrants a Density Functional Theory (DFT) based approach that (i) yields reliable bandgaps, (ii) is free of empirically tuned parameters, and (iii) exhibits low computational overhead. Here we show that for Cu2ZnSnS4 and Cu2ZnGeS4 kesterite photovoltaic materials, all three of these demands are met by the DFT plus Hubbard U technique (DFT+U) with corrective parameters evaluated via minimum-tracking linear response. The predicted bandgaps are found to even marginally outperform those from the self-consistent GW approach. Key to this method's success is the application of Hubbard U corrections to all atomic subspaces that dominate the conduction and valence band edges, as opposed to the conventional approach of correcting 3d and 4f atomic states. Intriguingly, the inclusion of Hund's J corrections via the extended DFT+U+J functional significantly worsens these results. This under performance can be ameliorated through the use of the Burgess-Linscott-O'Regan (BLOR) flat-plane based Hubbard U plus Hund's J functional, with bandgap predictions in close agreement with the conventional DFT+U method. The DFT+U method is also used to predict defect-induced changes to the bandgap and associated formation energies, in 1,728-atom supercells.

cond-mat.mtrl-sci↗