145 citations · 524 across the 22 of their papers we have counts for
23 papers
Learning the Geometry of Materials Space with Trained Neural Tangent Kernels
Daniel Kaplan, Gabriel Kotliar, Anirvan M Sengupta
Neural networks trained to predict materials properties learn representations whose physical content can be difficult to extract. We use the neural tangent kernel (NTK), evaluated…
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…
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…
Dynamical scaling and Planckian dissipation due to heavy-fermion quantum criticality
Andreas Gleis, Seung-Sup B. Lee, Gabriel Kotliar +1
We study dynamical scaling associated with a Kondo-breakdown quantum critical point (KB-QCP) of the periodic Anderson model, treated by two-site cellular dynamical mean-field theor…
Emergent Properties of the Periodic Anderson Model: a High-Resolution, Real-Frequency Study of Heavy-Fermion Quantum Criticality
Andreas Gleis, Seung-Sup B. Lee, Gabriel Kotliar +1
We study paramagnetic quantum criticality in the periodic Anderson model (PAM) using cellular dynamical mean-field theory, with the numerical renormalization group (NRG) as an impu…
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…
Clean realization of the Hund physics near the Mott transition: under pressure
Ina Park, Bo Gyu Jang, Dong Wook Kim +2
Strong correlation effects caused by Hund's coupling have been actively studied during the past decade. Hund's metal, strongly correlated while far from the Mott insulating limit,…
Orbital-selective Kondo-lattice and enigmatic f-electrons emerging from inside the antiferromagnetic phase of a heavy fermion
Ioannis Giannakis, Justin Leshen, Mariam Kavai +11
Novel electronic phenomena frequently form in heavy fermions as a consequence of the mutual nature of localization and itineracy of f electrons. On the magnetically ordered side of…
Polaronic transport and thermoelectricity in FeCoSbS ( = 0, 0.1, and 0.2)
Yu Liu, Chang-Jong Kang, Eli Stavitski +4
We report a study of Co-doped berthierite FeCoSbS ( = 0, 0.1, and 0.2). The alloy series of FeCoSbS crystallize in an orthorhombic struct…
Orbital-dependent correlations in PuCoGa
W. H. Brito, S. Choi, Y. X. Yao +1
We investigate the normal state of the superconducting compound PuCoGa using the combination of density functional theory (DFT) and dynamical mean field theory (DMFT), with the…
From Hunds insulator to Fermi liquid: Optical spectroscopy study of K doping in BaMnAs
D. E. McNally, S. Zellman, Z. P. Yin +7
We present optical transmission measurements that reveal a charge gap of 0.86 eV in the local moment antiferromagnetic insulator BaMnAs, an order of magnitude larger than p…
Magnetic anisotropic effects and electronic correlations in MnBi ferromagnet
V. P. Antropov, V. N. Antonov, L. V. Bekenov +2
The electronic structure and numerous magnetic properties of MnBi magnetic systems are investigated using local spin density approximation (LSDA) with on-cite Coulomb correlations…
Antiferromagnetic Exchange, Hund's Coupling and the Origin of the Charge Gap in LaMnPO
D. E. McNally, J. W. Simonson, K. W. Post +12
We present inelastic neutron scattering and magnetization measurements of the antiferromagnetic insulator LaMnPO that are well described by a Heisenberg spin model. These measureme…
Kink during the formation of the Kondo resonance band in the heavy fermion system
Hong Chul Choi, K. Haule, G. Kotliar +2
We have investigated the formation of the Kondo resonance (KR) band and the hybridization gap (HG) in the heavy fermion compound CeCoGe2, using a combined approach of the density f…
Model of the electron-phonon interaction and optical conductivity of BaKBiO superconductors
R. Nourafkan, F. Marsiglio, G. Kotliar
We investigate the physical properties of the BaKBiO compounds with a focus on the optical properties. Results from the simple Holstein model, describing a single b…
From antiferromagnetic insulator to correlated metal in pressurized and doped LaMnPO
J. W. Simonson, Z. P. Yin, M. Pezzoli +17
Widespread adoption of superconducting technologies requires the discovery of new materials with enhanced properties, especially higher superconducting transition temperatures T$_{…
Correlation-enhanced electron-phonon coupling: Applications of GW and screened hybrid functional to bismuthates, chloronitrides, and other high Tc superconductors
Z. P. Yin, A. Kutepov, G. Kotliar
We show that the electron-phonon coupling (EPC) in many materials can be significantly underestimated by the standard density functional theory (DFT) in the local density approxima…
A comparative study of the electronic and magnetic properties of BaFe_2As_2 and BaMn_2As_2 using the Gutzwiller approximation
Y. X. Yao, J. Schmalian, C. Z. Wang +2
To elucidate the role played by the transition metal ion in the pnictide materials, we compare the electronic and magnetic properties of BaFe_{2}As_{2} with BaMn_{2}As_{2}. To this…
Thermal and electrical transport in the spin density wave antiferromagnet CaFeAs
M. S. Kim, Z. P. Yin, L. L. Zhao +3
We present here measurements of the thermopower, thermal conductivity, and electrical resistivity of the newly reported compound CaFe4As3. Evidence is presented from specific heat…