Explanipedia

Spectral signatures of residual electron pairing in the extended Hubbard Su-Schrieffer-Heeger model Open

Debshikha Banerjee, Alberto Nocera, G. A. Sawatzky, Mona Berciu, Steven Johnston · 2025

We study the electron addition spectrum of the one-dimensional extended Hubbard-Su-Schrieffer-Heeger (HSSH) model in the dilute limit using the density matrix renormalization group method. In addition to the expected renormalization to the…

Charge-entropy-stabilized selenide AgxSn1−xSe Open

Mohamed Oudah, D. Takegami, Shinji Kitao, José L. Lado, A. Meléndez-Sans , et al. · 2025

Configurational entropy has been discussed for high entropy alloys and high entropy oxides with multiple metal atoms sharing the same atomic site, where the entropy allows for the stability of a single phase material. Typically, the entrop…

Frustrated S = 1/2 Chains in One-Dimensional Correlated Metal Ti4MnBi2 Open

Xiyang Li, Alberto Nocera, Kateryna Foyevtsova, G. A. Sawatzky, Mohamed Oudah , et al. · 2025

Electronic correlations lead to heavy quasiparticles in three-dimensional (3D) metals, and their collapse can destabilize magnetic moments. It is an open question whether there is an analogous instability in one-dimensional (1D) systems, u…

Magnetic Ni-N-Ni Centers in N-substituted NiO Open

Simon Godin, Ilya Elfimov, Fengmiao Li, B. A. Davidson, Ronny Sutarto , et al. · 2024

To explore how anion substitution modifies the existing magnetism in strongly correlated oxides, we investigate local electronic states and magnetic ordering in nickel oxide (NiO) induced by substituting oxygen (O) with nitrogen (N). Each …

Intertwined charge and spin instability of La$_3$Ni$_2$O$_7$ Open

Chenye Qin, Kateryna Foyevtsova, Liang Si, G. A. Sawatzky, Mi Jiang · 2024

Research on nickel-based superconductors has progressed from infinite-layer LaNiO$_2$ to finite-layer La$_{6}$Ni$_{5}$O$_{12}$, and most recently to the Ruddlesden-Popper phase La$_3$Ni$_2$O$_7$, which was found to exhibits onset of superc…

Negative Charge Transfer Energy in Correlated Compounds Open

Robert J. Green, G. A. Sawatzky · 2024

In correlated compounds containing cations in high formal oxidation states\n(assigned by assuming that anions attain full valence shells), the energy of\nligand to cation charge transfer can become small or even negative. This yields\ncomp…

Mixed-valence state in the dilute-impurity regime of La-substituted SmB6 Open

Marta Zonno, Matteo Michiardi, Fabio Boschini, G. Levy, Klara Volckaert , et al. · 2024

Light-element and purely charge-based topological materials Open

Nassim Derriche, Marcel Franz, G. A. Sawatzky · 2024

We examine a class of Hamiltonians characterized by interatomic, interorbital even–odd parity hybridization as a model for a family of topological insulators without the need for spin–orbit coupling. Non-trivial properties of these materia…

Computationally efficient method for calculating electron-phonon coupling for high-throughput superconductivity search Open

Oliver A. Dicks, Kateryna Foyevtsova, Ilya Elfimov, Rohit P. Prasankumar, G. A. Sawatzky · 2024

Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconducting critical temperatures. The method requires only density…

Atomic and bond polarization causing strong screening of short-range Coulomb interactions and its effect in cuprate superconductors Open

Nassim Derriche, G. A. Sawatzky · 2024

We present a novel and efficient real space, semiclassical model of electric polarization with general applicability to any system in which screening plays an important role. This model includes the effects of both atomic and bond polariza…

Light-element and purely charge-based topological materials Open

Nassim Derriche, Marcel Franz, G. A. Sawatzky · 2024

We examine a class of Hamiltonians characterized by interatomic, interorbital even-odd parity hybridization as a model for a family of topological insulators without the need for spin-orbit coupling. Non-trivial properties of these materia…

Correlation induced magnetic topological phases in the mixed-valence compound Open

Huimei Liu, Moritz M. Hirschmann, G. A. Sawatzky, Giniyat Khaliullin, Andreas P. Schnyder · 2023

SmB_{6} is a mixed-valence compound with flat f-electron bands that have a propensity to magnetism. Here, using a realistic Γ_{8} quartet model, we investigate the dynamical spin susceptibility and describe the in-gap collective mode obser…

Critical Role of Disorder for Superconductivity in the Series of Epitaxial Ti(O,N) Films Open

Fengmiao Li, Oliver A. Dicks, Myung‐Geun Han, Solveig S. Aamlid, G. Levy , et al. · 2023

Realizing experimental control of superconductivity is of paramount importance to advancing both basic research and technological applications. Disorder, generally existing in most superconductors, intricately interacts with Cooper pairs a…

Mixed-valence state in the dilute-impurity regime of La-substituted SmB$_6$ Open

Marta Zonno, Matteo Michiardi, Fabio Boschini, G. Levy, Klara Volkaert , et al. · 2023

Homogeneous mixed-valence (MV) behaviour is one of the most intriguing phenomena of $f$-electron systems. Despite extensive efforts, a fundamental aspect which remains unsettled is the determination of the limiting cases for which MV emerg…

Erratum: Suppression of Peierls-like nesting-based instabilities in solids [Phys. Rev. B <b>106</b>, 064102 (2022)] Open

Nassim Derriche, Ilya Elfimov, G. A. Sawatzky · 2023

Received 14 June 2023DOI:https://doi.org/10.1103/PhysRevB.107.219904©2023 American Physical SocietyPhysics Subject Headings (PhySH)Research AreasCharge density wavesCharge orderDensity of statesElectric polarizationElectronic structurePeie…

Correlation Induced Magnetic Topological Phases in Mixed-Valence Compound SmB6 Open

Huimei Liu, Moritz M. Hirschmann, G. A. Sawatzky, Giniyat Khaliullin, Andreas P. Schnyder · 2023

SmB6 is a mixed-valence compound with flat f-electron bands that have a propensity to magnetism. Here, using a realistic Gamma8 quartet model, we investigate the dynamical spin susceptibility and describe the in-gap collective mode observe…

Entropy Engineering and Tunable Magnetic Order in the Spinel High-Entropy Oxide Open

Graham Johnstone, Mario U. González-Rivas, Keith M. Taddei, Ronny Sutarto, G. A. Sawatzky , et al. · 2022

Spinel oxides are an ideal setting to explore the interplay between configurational entropy, site selectivity, and magnetism in high-entropy oxides (HEOs). In this work, we characterize the magnetic properties of the spinel (Cr, Mn, Fe, Co…

Stabilization of singlet hole-doped state in infinite-layer nickelate superconductors Open

Mi Jiang, Mona Berciu, G. A. Sawatzky · 2022

Motivated by the recent X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) experiments, we use a detailed impurity model to explore the nature of the parent compound and hole doped states of (La, Nd, Pr)NiO$…

Distinct electridelike nature of infinite-layer nickelates and the resulting theoretical challenges to calculate their electronic structure Open

Kateryna Foyevtsova, Ilya Elfimov, G. A. Sawatzky · 2022

We demonstrate in this paper that the recently discovered infinite-layer (IL) nickelates have much in common with a class of materials known as electrides. Oxide based electrides are compounds in which topotactic removal of loosely bound o…

Dressing due to correlations strongly reduces the effect of electron-phonon coupling Open

Yau-Chuen Yam, G. A. Sawatzky, Mona Berciu · 2022

We investigate the difference between the coupling of a bare carrier to phonons versus the coupling of a correlations-dressed quasiparticle to phonons, and show that latter may be weak even if the former is strong. Specifically, we analyze…

Suppression of Peierls-like nesting-based instabilities in solids Open

Nassim Derriche, Ilya Elfimov, G. A. Sawatzky · 2022

The understanding of lattice instabilities is of vast importance in material\nscience. The famous example is the Peierls instability of one-dimensional\nmetals and for strongly-nested Fermi surfaces in two and three dimensions.\nThrough an…

Stabilization of singlet hole-doped state in infinite-layer nickelate superconductors Open

Jiang Mi, Mona Berciu, G. A. Sawatzky · 2022

Motivated by the recent X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) experiments, we use a detailed impurity model to explore the nature of the parent compound and hole doped states of (La, Nd, Pr)NiO$…

Modulation doping of the FeSe monolayer on Open

Fengmiao Li, Ilya Elfimov, G. A. Sawatzky · 2022

The discovery of higher-temperature superconductivity in FeSe monolayers on\nSrTiO$_3$ (STO) substrates has sparked a surge of interest in the interface\nsuperconductivity. One point of the agreement reached to date is that\nmodulation dop…

Dressing due to correlations strongly reduces the effect of\n electron-phonon coupling Open

Yau-Chuen Yam, G. A. Sawatzky, Mona Berciu · 2022

We investigate the difference between the coupling of a bare carrier to\nphonons versus the coupling of a correlations-dressed quasiparticle to phonons,\nand show that latter may be weak even if the former is strong. Specifically, we\nanal…

Pair Distribution Functions Due to Local Structural Distortions in Oxygen-Deficient Srtio3 Open

Oleksandr Foyevtsov, Ilya Elfimov, G. A. Sawatzky · 2022

High-order replica bands in monolayer FeSe/SrTiO3 revealed by polarization-dependent photoemission spectroscopy Open

Chong Liu, Ryan Day, Fengmiao Li, Ryan Roemer, Sergey Zhdanovich , et al. · 2021

Intrinsic versus extrinsic orbital and electronic reconstructions at complex oxide interfaces Open

Robert J. Green, V. B. Zabolotnyy, M. Zwiebler, Zhaoliang Liao, S. Macke , et al. · 2021

The interface between the insulators LaAlO3 (LAO) and SrTiO3 accommodates a two-dimensional electron liquid (2DEL) - a high-mobility electron system exhibiting superconductivity as well as indications of magnetism and correlations. While t…

Intrinsic versus extrinsic orbital and electronic reconstructions at complex oxide interfaces Open

R. J. Green, V. B. Zabolotnyy, M. Zwiebler, Zhaoliang Liao, S. Macke , et al. · 2021

The interface between the insulators LaAlO$_3$ and SrTiO$_3$ accommodates a two-dimensional electron liquid (2DEL) -- a high mobility electron system exhibiting superconductivity as well as indications of magnetism and correlations. While …

Multiple-magnon excitations shape the spin spectrum of cuprate parent compounds Open

Davide Betto, Roberto Fumagalli, Leonardo Martinelli, Matteo Rossi, Riccardo Piombo , et al. · 2021

Thanks to high resolution and polarization analysis, resonant inelastic x-ray scattering (RIXS) magnetic spectra of La2CuO4, Sr2CuO2Cl2 and CaCuO2 reveal a rich set of properties of the spin-1/2 antiferromagnetic square lattice of cuprates…

Holes' character and bond versus charge disproportionation in $s-p$ $ABX_{3}$ perovskites Open

M. R. Benam, Kateryna Foyevtsova, Arash Khazraie, Ilya Elfimov, G. A. Sawatzky · 2021

We use density functional theory methods to study the electronic structures of a series of $s-p$ cubic perovskites $ABX_{3}$: the experimentally available SrBiO$_{3}$, BaBiO$_{3}$, BaSbO$_3$, CsTlF$_{3}$, and CsTlCl$_{3}$, as well as the h…

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