5 papers
Strong correlations and local self-energies from on-site ensembles
Alberto Carta, Hugo U. R. Strand, Michael Schüler +1
Addressing the many-body electronic-structure problem is a central goal of modern condensed-matter physics. Paramagnetic Mott insulators, in particular, have long represented a cha…
DFT+U+V is equivalent to DFT+U with density-dependent hybridized projectors
Edward Linscott, Alberto Carta, Nicola Marzari
Hubbard-corrected density-functional theory (DFT+) is a popular tool for first-principles modeling of materials with localized or electrons, but its on-site corrections…
Probing the real-space density of spin-entangled electrons
Federico Pisani, Leonie Spitz, Libor VojáÄek +12
On the textbook example of an isolated antiferromagnetic Heisenberg dimer, we demonstrate that the magnetic form factor and the magnetic electron density distribution can be extrac…
(Anti-)Altermagnetism from Orbital Ordering in the Ruddlesden-Popper Chromates SrCrO
Quintin N. Meier, Alberto Carta, Claude Ederer +1
Altermagnets are collinear antiferromagnets with spin-split electronic states. We introduce Ruddlesden-Popper chromates SrCrO (including SrCrO) as candidat…
Hubbard dimer physics and the magnetostructural transition in the correlated cluster material NbCl
Alberto Carta, Peter Mlkvik, Fabian Grahlow +5
We present a combined computational and experimental study of NbCl, a correlated layered material containing Nb trimers, through the lens of competing intra- and interclust…