Numerical studies of photon-based spectroscopies on high- superconductors

Chen, Cheng-Chien; Moritz, Brian; Jia, Chunjing; Johnston, S.; Sorini, A. P.; Lee, L.-Q.; Ko, K.; Devereaux, T. P.

doi:10.1016/j.cpc.2010.08.017

Computer Physics Communications

2011

DOI: 10.1016/j.cpc.2010.08.017

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Numerical studies of photon-based spectroscopies on high- superconductors

Cheng-Chien Chen

Brian Moritz

Chunjing Jia

et al.

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Cited by 2 publications

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“…In this Letter we examine this scenario as a means for explaining the MI transition. Using exact diagonalization (ED) and Hartree-Fock (HF) calculations [31,32] we confirm that a strong electron-lattice coupling drives the system through a MI transition for sufficiently large and experimentally relevant lattice distortions (δd Ni−O ∼ 0.05-0.1 Å). In the insulating phase we find a novel charge ordering which can be viewed as a (d 8 L) i (d 8 L) j → (d 8 L 2 ) S=0 (d 8 ) S=1 type, where S is the total spin.…”

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Charge Disproportionation without Charge Transfer in the Rare-Earth-Element Nickelates as a Possible Mechanism for the Metal-Insulator Transition

et al. 2014

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We study a model for the metal-insulator (M-I) transition in the rare-earth-element nickelates RNiO3, based upon a negative charge transfer energy and coupling to a rocksaltlike lattice distortion of the NiO6 octahedra. Using exact diagonalization and the Hartree-Fock approximation we demonstrate that electrons couple strongly to these distortions. For small distortions the system is metallic, with a ground state of predominantly d8L character, where L_ denotes a ligand hole. For sufficiently large distortions (δdNi-O∼0.05-0.10 Å), however, a gap opens at the Fermi energy as the system enters a periodically distorted state alternating along the three crystallographic axes, with (d8L_2)S=0(d8)S=1 character, where S is the total spin. Thus the M-I transition may be viewed as being driven by an internal volume "collapse" where the NiO6 octahedra with two ligand holes shrink around their central Ni, while the remaining octahedra expand accordingly, resulting in the (1/2, 1/2, 1/2) superstructure observed in x-ray diffraction in the insulating phase. This insulating state is an example of charge ordering achieved without any actual movement of the charge.

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Charge Disproportionation without Charge Transfer in the Rare-Earth-Element Nickelates as a Possible Mechanism for the Metal-Insulator Transition

et al. 2014

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Orbitally selective resonant photodoping to enhance superconductivity

et al. 2021

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Signatures of superconductivity at elevated temperatures above Tc in high temperature superconductors have been observed near 1/8 hole doping for photoexcitation with infrared or optical light polarized either in the CuO2-plane or along the c-axis. While the use of in-plane polarization has been effective for incident energies aligned to specific phonons, c-axis laser excitation in a broad range between 5 µm and 400 nm was found to affect the superconducting dynamics in striped La1.885Ba0.115CuO4, with a maximum enhancement in the 1/ω dependence to the conductivity observed at 800 nm. This broad energy range, and specifically 800 nm, is not resonant with any phonon modes, yet induced electronic excitations appear to be connected to superconductivity at energy scales well above the typical gap energies in the cuprates. A critical question is what can be responsible for such an effect at 800 nm? Using time-dependent exact diagonalization, we demonstrate that the holes in the CuO2 plane can be photoexcited into the charge reservoir layers at resonant wavelengths within a multi-band Hubbard model. This orbitally selective photoinduced charge transfer effectively changes the in-plane doping level, which can lead to an enhancement of Tc near the 1/8 anomaly.

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Numerical studies of photon-based spectroscopies on high- superconductors

Cited by 2 publications

References 12 publications

Charge Disproportionation without Charge Transfer in the Rare-Earth-Element Nickelates as a Possible Mechanism for the Metal-Insulator Transition

Charge Disproportionation without Charge Transfer in the Rare-Earth-Element Nickelates as a Possible Mechanism for the Metal-Insulator Transition

Orbitally selective resonant photodoping to enhance superconductivity

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