29 citations · 85 across the 8 of their papers we have counts for
8 papers
Tetragonal BaCoO: A Co Ferromagnetic Mott Insulator with Inverted Spin Crossover
Mingyu Xu, Haozhe Wang, Krishna Prasad Koirala +13
The interplay between crystal electric field splitting of d states and Hund's rule exchange energy in cobalt-based perovskites offers a promising avenue for inducing spin-state tra…
Charge self-consistent density functional theory plus ghost rotationally-invariant slave-boson theory for correlated materials
Tsung-Han Lee, Corey Melnick, Ran Adler +4
We present a charge self-consistent density functional theory combined with the ghost-rotationally-invariant slave-boson (DFT+gRISB) formalism for studying correlated materials. Th…
Softening of excitation in the resonant inelastic x-ray scattering spectra as a signature of Hund's coupling in nickelates
Umesh Kumar, Corey Melnick, Gabriel Kotliar
We investigate the effects of Hund's coupling on the resonant X-ray absorption spectra of the recently discovered family of layered nickelate superconductors. We contrast two scena…
ComDMFT v.2.0: Fully Self-Consistent ab initio GW+EDMFT for the Electronic Structure of Correlated Quantum Materials
Byungkyun Kang, Patrick Semon, Corey Melnick +5
ComDMFT is a parallel computational package designed to study the electronic structure of correlated quantum materials from first principles. Our approach is based on the combinati…
Accuracy of ghost-rotationally-invariant slave-boson theory for multiorbital Hubbard models and realistic materials
Tsung-Han Lee, Corey Melnick, Ran Adler +2
We assess the accuracy of the ghost-rotationally-invariant slave-boson (g-RISB) theory in multiorbital systems by applying it to both the three-orbital degenerate Hubbard model and…
Accelerated impurity solver for DMFT and its diagrammatic extensions
Corey Melnick, Patrick Sémon, Kwangmin Yu +3
We present ComCTQMC, a GPU accelerated quantum impurity solver. It uses the continuous-time quantum Monte Carlo (CTQMC) algorithm wherein the partition function is expanded in term…
Infinite-layer nickelates as Ni-eg Hund's metals
Byungkyun Kang, Corey Melnick, Patrick Semon +4
The recent and exciting discovery of superconductivity in the hole-doped infinite-layer nickelate Nd 1-δ Sr δ NiO 2 draws strong attention to correlated quantum materials. From a t…
Fermi liquid theory and divergences of the two-particle irreducible vertex in the periodic Anderson lattice
Corey Melnick, Gabriel Kotliar
Here we analyze the divergences of the irreducible vertex function in dynamical mean field theory, which may indicate either a non-physical breakdown of the perturbation theory or…