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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…
Orbital Selective Mott Transition Effects and Non-Trivial Topology of Iron Chalcogenide
Minjae Kim, Sangkook Choi, Walber Hugo Brito +1
The iron-based superconductor FeSeTe (FST) has recently gained significant attention as a host of two distinct physical phenomena: () Majorana zero modes which can…
Accuracy of ghost-rotationally-invariant slave-boson and dynamical mean field theory as a function of the impurity-model bath size
Tsung-Han Lee, Nicola Lanatà, Gabriel Kotliar
We compare the accuracy of the ghost-rotationally-invariant slave-boson (g-RISB) theory and dynamical mean-field theory (DMFT) on the single-band Hubbard model, as a function of th…
LiYbSe2: Frustrated Magnetism in a New Pyrochlore Lattice
Ranuri S. Dissanayaka Mudiyanselage, Haozhe Wang, Olivia Vilella +3
Three-dimensionally (3D) frustrated magnets generally exist in the magnetic diamond and pyrochlore lattices, in which quantum fluctuations suppress magnetic orders and generate hig…
Site-specific electronic and magnetic excitations of the skyrmion material CuOSeO
Yanhong Gu, Yilin Wang, Jiaqi Lin +8
The manifestation of skyrmions in the Mott-insulator CuOSeO originates from a delicate balance between magnetic and electronic energy scales. As a result of these intertwin…
Coexisting Kondo hybridization and itinerant f-electron ferromagnetism in UGe2
Ioannis Giannakis, Divyanshi Sar, Joel Friedman +6
Kondo hybridization in partially filled f-electron systems conveys significant amount of electronic states sharply near the Fermi energy leading to various instabilities from super…
Is the orbital-selective Mott phase stable against interorbital hopping?
Fabian B. Kugler, Gabriel Kotliar
The localization-delocalization transition is at the heart of strong correlation physics. Recently, there is great interest in multiorbital systems where this transition can be res…
Efficient slave-boson approach for multiorbital two-particle response functions and superconductivity
Tsung-Han Lee, Nicola Lanata, Minjae Kim +1
We develop an efficient approach for computing two-particle response functions and interaction vertices for multiorbital strongly correlated systems based on fluctuation around rot…
Reply to: "Extracting Kondo temperature of strongly-correlated systems from the inverse local magnetic susceptibility"
Xiaoyu Deng, Katharina M. Stadler, Kristjan Haule +4
This is a reply to A. A. Katanin's comment [A. A. Katanin, Nat. Commun. 12, 1433 (2021); arXiv:2103.02966] on our paper [X. Deng et al., Nat. Commun. 10, 2721 (2019); arXiv:1708.05…
Differentiating Hund from Mott physics in a three-band Hubbard-Hund model: Temperature dependence of spectral, transport, and thermodynamic properties
K. M. Stadler, G. Kotliar, S. -S. B. Lee +2
We study the interplay between Mott physics, driven by Coulomb repulsion U, and Hund physics, driven by Hund's coupling J, for a minimal model for Hund metals, the orbital-symmetri…
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…
Low-Temperature Thermopower in CoSbS
Qianheng Du, Milinda Abeykoon, Yu Liu +2
We report giant thermopower S = 2.5 mV/K in CoSbS single crystals, a material that shows strong high-temperature thermoelectric performance when doped with Ni or Se. Changes of low…
On the Spatial Locality of Electronic Correlations in LiFeAs
Minjae Kim, Hu Miao, Sangkook Choi +3
We address the question of the degree of spatial non-locality of the self energy in the iron-based superconductors, a subject which is receiving considerable attention. Using LiFeA…
Correlation strength and orbital differentiation across the phase diagram of plutonium metal
W. H. Brito, G. Kotliar
We compare the trends on the strength of electronic correlations across the different phases of elemental Pu focusing on its site and orbital dependence, using a combination of den…
Optical properties of the infinite-layer LaSrNiO and hidden Hund's physics
Chang-Jong Kang, Gabriel Kotliar
We investigate the optical properties of the normal state of the infinite-layer LaSrNiO using DFT+DMFT. We find a correlated metal which exhibits substantial transf…
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…
Orbital anisotropy of heavy fermion CeIrIn under crystalline electric field and its energy scale
Bo Gyu Jang, Beomjoon Goh, Junwon Kim Jae Nyeong Kim +5
We investigate the temperature ()-evolution of orbital anisotropy and its effect on spectral function and optical conductivity in CeIrIn, using a first principles dy…
Hund's metal physics: from SrNiO to NdNiO
Y. Wang, C. -J. Kang, H. Miao +1
We study the normal state electronic structure of the recently discovered infinite-layer nickelate superconductor, NdSrNiO. Using SrNiO as a reference, we find…
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…
Extending the Gutzwiller approximation to intersite interactions
Garry Goldstein, Nicola Lanata, Gabriel Kotliar
We develop an extension of the Gutzwiller Approximation (GA) formalism that includes the effects of Coulomb interactions of arbitrary range (including density density, exchange, pa…
Low energy band structure and symmetries of UTe2 from angle resolved photoemission spectroscopy
Lin Miao, Shouzheng Liu, Yishuai Xu +8
The compound UTe2 has recently been shown to realize spin triplet superconductivity from a non-magnetic normal state. This has sparked intense research activity, including theoreti…
Electronic Correlation Induced Expansion of Compensated Electron and Hole Fermi Pockets in delta-Plutonium
Roxanne Tutchton, Wei-ting Chiu, R. C. Albers +2
Plutonium is a critically important material as the behavior of its 5f-electrons stands midway between the metallic-like itinerant character of the light actinides and localized at…
Global phase diagram of a spin-orbital Kondo impurity model and the suppression of Fermi-liquid scale
Y. Wang, E. Walter, S. -S. B. Lee +4
Many correlated metallic materials are described by Landau Fermi-liquid theory at low energies, but for Hund metals the Fermi-liquid coherence scale is found to be…
Multiple topological Dirac cones in a mixed-valent Kondo semimetal: g-SmS
Chang-Jong Kang, Dong-Choon Ryu, Junwon Kim +5
We demonstrate theoretically that the golden phase of SmS (-SmS), a correlated mixed-valent system, exhibits nontrivial surface states with diverse topology. It turns out that t…