5 papers
Interplay of spin-orbit coupling, crystal field splitting and correlations: a ghost rotationally invariant slave boson treatment
Xue Sun, Walber Hugo Brito, Andreas Gleis +4
We investigate the interplay of spin-orbit coupling, crystal field splittings, and electronic correlations in the Hubbard-Kanamori model within the recently formulated gho…
Deep Learning Based Superconductivity: Prediction and Experimental Tests
Daniel Kaplan, Adam Zhang, Joanna Blawat +6
The discovery of novel superconducting materials is a longstanding challenge in materials science, with a wealth of potential for applications in energy, transportation, and comput…
The Hund-metal path to strong electronic correlations
Antoine Georges, Gabriel Kotliar
Atomic physics has a profound impact on the physical properties of correlated electron materials. This article describes a prime example of this phenomenon. We provide a non-techni…
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…
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…