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Dynamical mean-field theory computations of the electron self energy of the Hubbard-Holstein model as a function of electron-phonon and electron-electron interactions are analyzed to gain insight into the dependence of electron-phonon…

Strongly Correlated Electrons · Physics 2025-05-14 Jennifer Coulter , Andrew J. Millis

We consider the details of the near-surface electronic band structure of a prototypical ferromagnet, Fe(001). Using high resolution angle-resolved photoemission spectroscopy we demonstrate openings of the spin-orbit induced electronic band…

Strong electron-electron interactions are known to significantly modify the electron-phonon coupling relative to the predictions of density functional theory, but this effect is challenging to calculate with realistic theories of strongly…

Strongly Correlated Electrons · Physics 2025-07-21 David J. Abramovitch , Jennifer Coulter , Sophie Beck , Andrew Millis

Photoemission spectroscopy is used to investigate the electronic structure of the newly discovered iron-based superconductors LaFeAsO_{1-x}F_x and LaFePO_{1-x}F_x. Line shapes of the Fe 2p core-level spectra suggest an itinerant character…

We present a systematic angle-resolved photoemission spectroscopy study of the substitution-dependence of the electronic structure of Rb$_{0.8}$Fe$_{2}$(Se$_{1-z}$S$_z$)$_2$ (z = 0, 0.5, 1), where superconductivity is continuously…

The evolution of electron correlation in Sr$_{x}$Ca$_{1-x}$VO$_3$ has been studied using a combination of bulk-sensitive resonant soft x-ray emission spectroscopy (RXES), surface-sensitive photoemission spectroscopy (PES), and ab initio…

Strongly Correlated Electrons · Physics 2013-07-25 J. Laverock , B. Chen , K. E. Smith , R. P. Singh , G. Balakrishnan , M. Gu , J. W. Lu , S. A. Wolf , R. M. Qiao , W. Yang , J. Adell

Large values of Born effective charges are generally considered as reliable indicators of the genuine tendency of an insulator towards ferroelectric instability. However, these quantities can be very much influenced by strong electron…

Materials Science · Physics 2009-11-10 Alessio Filippetti , Nicola A. Spaldin

We have investigated the electronic structures of newly discovered superconductor FeSe1-x by bulk-sensitive photoemission spectroscopy (PES). The large Fe 3d spectral weight is located in the vicinity of the Fermi level (EF) and it…

Superconductivity · Physics 2010-11-10 A. Yamasaki , S. Imada , K. Takase , T. Muro , Y. Kato , H. Kobori , A. Sugimura , N. Umeyama , H. Sato , Y. Hara , N. Miyakawa , S. I. Ikeda

We explore the interplay of electron-electron correlations and spin-orbit coupling in the model Fermi liquid Sr2RuO4 using laser-based angle-resolved photoemission spectroscopy. Our precise measurement of the Fermi surface confirms the…

We present results for the electronic and magnetic structure of Mn and Fe clusters on Nb(110) surface, focusing on building blocks of atomic chains as possible realizations of topological superconductivity. The magnetic ground states of the…

Mesoscale and Nanoscale Physics · Physics 2021-09-29 András Lászlóffy , Krisztián Palotás , Levente Rózsa , László Szunyogh

We shed light on the interplay between structure and many-body effects relevant for itinerant ferromagnetism in LaAlO$_3$/SrTiO$_3$ heterostructures. The realistic correlated electronic structure is studied by means of the (spin-polarized)…

Materials Science · Physics 2014-08-27 Frank Lechermann , Lewin Boehnke , Daniel Grieger , Christoph Piefke

We present an ab initio method for eletcronic structure calculations, which accounts for the interaction of electrons and magnons in ferromagnets. While it is based on a many body perturbation theory we approximate numerically complex…

Materials Science · Physics 2023-04-19 S. Paischer , G. Vignale , M. I. Katsnelson , A. Ernst , P. Buczek

A novel method for mapping the local spin and orbital nature of the ground state of a system via corresponding flip excitations in both sectors is proposed based on angle resolved resonant photoemission and related diffraction patterns,…

Strongly Correlated Electrons · Physics 2016-05-04 F. Da Pieve

The effects of electron-electron correlations on the low-energy electronic structure and their relationship with unconventional superconductivity are central aspects in the research on the iron-based pnictide superconductors. Here we use…

The level of electronic correlation has been one of the key questions in understanding the nature of superconductivity. Among the iron-based superconductors, the iron chalcogenide family exhibits the strongest electron correlations. To…

In the framework of ab initio dynamical mean field theory for realistic electronic structure calculations a new perturbation scheme which combine the T-matrix and fluctuating exchange approximations has been proposed. This method is less…

Strongly Correlated Electrons · Physics 2009-11-07 M. I. Katsnelson , A. I. Lichtenstein

Many-body phenomena are ubiquitous in solids, as electrons interact with one another and the many excitations arising from lattice, magnetic, and electronic degrees of freedom. These interactions can subtly influence the electronic…

Mesoscale and Nanoscale Physics · Physics 2013-12-16 S. Grothe , S. Johnston , Shun Chi , P. Dosanjh , S. A. Burke , Y. Pennec

We study the electron-magnon scattering in bulk Fe, Co, and Ni within the framework of many-body perturbation theory implemented in the full-potential linearized augmented-plane-wave method. To this end, a $\mathbf{k}$-dependent self-energy…

Strongly Correlated Electrons · Physics 2019-07-31 Mathias C. T. D. Müller , Stefan Blügel , Christoph Friedrich

In this perspective, the various measures of electron correlation used in wavefunction theory, density functional theory and quantum information theory are briefly reviewed. We then focus on a more traditional metric based on dominant…

Chemical Physics · Physics 2023-04-07 Róbert Izsák , Aleksei V Ivanov , Nick S. Blunt , Nicole Holzmann , Frank Neese

The measured magnetization dynamics of ferromagnetic iron--cobalt Fe$_{1-x}$Co$_x$ alloys show a strong dependence on the alloy composition, especially near $x=0.25$. Here, we calculate from first principles the electron-phonon coupling…

Materials Science · Physics 2024-10-21 Kevin Moseni , Richard B Wilson , Sinisa Coh