69 citations · 607 across the 29 of their papers we have counts for
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Correlation-Induced Octahedral Rotations in SrMoO
Alexander Hampel, Jeremy Lee-Hand, Antoine Georges +1
Distortions of the oxygen octahedra influence the fundamental electronic structure of perovskite oxides, such as their bandwidth and exchange interactions. Utilizing a fully ab-ini…
First-principles study of the electronic, magnetic, and crystal structure of perovskite molybdates
Jeremy Lee-Hand, Alexander Hampel, Cyrus E. Dreyer
The molybdate oxides SrMoO, PbMoO, and LaMoO are a class of metallic perovskites that exhibit interesting properties including high mobility, and unusual resistivity be…
Wavefunctions, electronic localization and bonding properties for correlated materials beyond the Kohn-Sham formalism
A. D. N. James, E. I. Harris-Lee, A. Hampel +2
Many-body theories such as dynamical mean field theory (DMFT) have enabled the description of the electron exchange-correlation interactions that are missing in current density fun…
Comparative Many-Body Study of PrNiO and NdNiO
Jonathan Karp, Alexander Hampel, Manuel Zingl +4
We study the many-body electronic structure of the stoichiometric and electron-doped trilayer nickelate PrNiO in comparison to that of the stoichiometric and hole-doped…