307 citations · 963 across the 31 of their papers we have counts for
5 papers · 1 filter
Polymorphism in Ruddlesden-Popper : Discovery of a Hidden Phase with Distinctive Layer Stacking
Xinglong Chen, Junjie Zhang, A. S. Thind +8
We report the discovery of a novel form of Ruddlesden-Popper (RP) oxide, which stands as the first example of long-range, coherent polymorphism in this class of inorganic solids. R…
Stabilizing the calculation of the self-energy in dynamical mean-field theory using constrained residual minimization
Harrison LaBollita, Jason Kaye, Alexander Hampel
We propose a simple and efficient method to calculate the electronic self-energy in dynamical mean-field theory (DMFT), addressing a numerical instability often encountered when so…
Conductivity of infinite-layer NdNiO as a probe of spectator bands
Harrison LaBollita, Alexander Hampel, Jonathan Karp +2
Using a density-functional theory plus dynamical mean-field theory methodology, we compute the many-body electronic structure and optical conductivity of NdNiO under the infl…
Limits to the strain engineering of layered square-planar nickelate thin films
Dan Ferenc Segedin, Berit H. Goodge, Grace A. Pan +15
The layered square-planar nickelates, NdNiO, are an appealing system to tune the electronic properties of square-planar nickelates via dimensionality; indeed…
Orbital polarization, charge transfer, and fluorescence in reduced valence nickelates
M. R. Norman, A. S. Botana, J. Karp +6
This paper presents a simple formalism for calculating X-ray absorption (XAS) and resonant inelastic x-ray scattering (RIXS) that has as input orbital-resolved density of states fr…