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The effect of zinc substitution on the local electronic structure of several cuprates is investigated using first-principles cluster calculations. Clusters comprising 5, 9, and 13 copper atoms in the cuprate plane of La$_2$CuO$_4$,…

Superconductivity · Physics 2009-11-11 C. Bersier , S. Renold , E. P. Stoll , P. F. Meier

Data for inelastic processes due to hydrogen atom collisions with iron are needed for accurate modelling of the iron spectrum in late-type stars. Excitation and charge transfer in low-energy Fe+H collisions is studied theoretically using a…

Solar and Stellar Astrophysics · Physics 2018-05-09 P. S. Barklem

We use the Local Density Approximation in combination with the Dynamical Mean Field Theory to investigate intermediate energy properties of the copper oxides. We identify coherent and incoherent spectral features that results from doping a…

Strongly Correlated Electrons · Physics 2013-05-29 Cédric Weber , Kristjan Haule , Gabriel Kotliar

We report ab-initio calculations for the electronic structure of organic charge transfer salts $\kappa$-(ET)$_2$Cu[N(CN)$_2$]Br, $\kappa$-(ET)$_2$Cu[N(CN)$_2$]I, $\kappa^{\prime \prime}$-(ET)$_2$Cu[N(CN)$_2$]Cl and…

Strongly Correlated Electrons · Physics 2015-08-12 Daniel Guterding , Roser Valenti , Harald O. Jeschke

Identifying materials hosting an excitonic insulator ground state has been one of the major pursuits in condensed matter physics in recent years. Promising candidates in transition metal chalcogenide compounds (TMC), including…

Strongly Correlated Electrons · Physics 2026-03-20 Yao Zeng , Shi-Cong Mo , Wéi Wú

Using a combination of X-ray absorption spectroscopy experiments with first principle calculations, we demonstrate that insulating KCuO_2 contains Cu in an unusually-high formal-3+ valence state, the ligand-to-metal (O to Cu) charge…

Strongly Correlated Electrons · Physics 2015-11-25 D. Choudhury , P. Rivero , D. Meyers , X. Liu , Y. Cao , S. Middey , M. J. Whitaker , S. Barraza-Lopez , J. W. Freeland , M. Greenblatt , J. Chakhalian

Charged current inclusive neutrino-nucleus cross sections are evaluated using the superscaling model for quasielastic scattering and its extension to the pion production region. The contribution of two-particle-two-hole vector…

We report a resonant inelastic x-ray scattering (RIXS) study of charge excitations in the electron-doped high-Tc superconductor Nd1.85Ce0.15CuO4. The intraband and interband excitations across the Fermi energy are separated for the first…

Strongly Correlated Electrons · Physics 2007-05-23 K. Ishii , K. Tsutsui , Y. Endoh , T. Tohyama , S. Maekawa , M. Hoesch , K. Kuzushita , M. Tsubota , T. Inami , J. Mizuki , Y. Murakami , K. Yamada

We compute the exciton transfer (ET) rate between semiconducting single-wall carbon nanotubes (SWNTs). We show that the main reasons for the wide range of measured ET rates reported in the literature are 1) exciton confinement in local…

Mesoscale and Nanoscale Physics · Physics 2017-01-02 A. H. Davoody , F. Karimi , M. S. Arnold , I. Knezevic

We present a variational estimate for the binding energy of a Frenkel exciton in the insulating cuprate superconductors. Starting from the three band Hubbard model we perform a canonical transformation to O($t^2$), where $t$ is the bare…

Condensed Matter · Physics 2016-08-31 C. Vermeulen , W. Barford

Spin subsystem of the copper oxides within the polar Jahn-Teller centers model corresponds to a singlet-triplet magnet where the local boson movement accompanied by the induced longitudinal spin fluctuations. These fluctuations determine…

Superconductivity · Physics 2009-10-30 A. S. Moskvin , A. S. Ovchinnikov , O. S. Kovalev

Electron scattering on both neutral ($X$) and charged ($X^-$) excitons in quantum wells is studied theoretically. A microscopic model is presented, taking into account both elastic and dissociating scattering. The model is based on…

Condensed Matter · Physics 2009-11-07 G. Ramon , A. Mann , E. Cohen

The anisotropy of the electron scattering rate and lifetime $\Gamma_\mathbf{p}=1/\tau_\mathbf{p}$ observed by Angle Resolved Photoemission Spectroscopy (ARPES) is evaluated using $s$-$d$ Kondo-Zener exchange Hamiltonian used previously to…

Superconductivity · Physics 2022-12-05 Todor M. Mishonov , Nedeltcho I. Zahariev , Albert M. Varonov

We study charge excitation spectra in the two-dimensional $t$-$J$ model on a square lattice to explore a charge-order tendency recently found in electron-doped cuprates around the carrier density 0.15. The static susceptibility of $d$-wave…

Strongly Correlated Electrons · Physics 2015-09-30 Hiroyuki Yamase , Matías Bejas , Andrés Greco

This paper presents a possible explanation for the enhanced singlet exciton yield in light emitting polymers. We propose a theory of electron-hole recombination via inter-molecular inter-conversion from inter-molecular weakly bound polaron…

Chemical Physics · Physics 2009-11-10 William Barford

We use Ru $L_3$-edge resonant inelastic x-ray scattering (RIXS) to study the full range of excitations in Ca$_3$Ru$_2$O$_7$ from meV-scale magnetic dynamics through to the eV-scale interband transitions. This bilayer $4d$-electron…

Strongly Correlated Electrons · Physics 2021-02-10 J. Bertinshaw , M. Krautloher , H. Suzuki , H. Takahashi , A. Ivanov , B. J. Kim , H. Gretarsson , B. Keimer

Resonant inelastic x-ray scattering (RIXS) tuned for the Cu L edge is a possible tool to detect charge excitations in cuprate superconductors. We theoretically investigate the possibility for observing a collective charge excitation by the…

Strongly Correlated Electrons · Physics 2015-08-03 Takami Tohyama , Kenji Tsutsui , Michiyasu Mori , Shigetoshi Sota , Seiji Yunoki

The $2d$ Hubbard model with nearest-neighbour hopping on the square lattice and an average of one electron per site is known to undergo an extended crossover from metallic to insulating behavior driven by proliferating antiferromagnetic…

Strongly Correlated Electrons · Physics 2020-03-19 Aaram J. Kim , Fedor Simkovic , Evgeny Kozik

Cuprate materials, like those hosting high temperature superconductivity, represent a famous class of materials where the correlations between the strongly entangled charges and spins produce complex phase diagrams. Several years ago the…

The evolution of electronic (spin and charge) excitations upon carrier doping is an extremely important issue in superconducting layered cuprates and the knowledge of its asymmetry between electron- and hole-dopings is still fragmentary.…

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