Electron-lattice interactions strongly renormalize the charge-transfer energy in the spin-chain cuprate Li2CuO2

Steve Johnston (), Claude Monney, Valentina Bisogni, Ke-Jin Zhou, Roberto Kraus, Günter Behr, Vladimir N. Strocov, Jiři Málek, Stefan-Ludwig Drechsler, Jochen Geck, Thorsten Schmitt and Jeroen van den Brink ()
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Steve Johnston: The University of Tennessee
Claude Monney: Paul Scherrer Institut
Valentina Bisogni: Leibniz Institute for Solid State and Materials Research, IFW Dresden
Ke-Jin Zhou: Paul Scherrer Institut
Roberto Kraus: Leibniz Institute for Solid State and Materials Research, IFW Dresden
Günter Behr: Leibniz Institute for Solid State and Materials Research, IFW Dresden
Vladimir N. Strocov: Paul Scherrer Institut
Jiři Málek: Institute of Physics, ASCR
Stefan-Ludwig Drechsler: Leibniz Institute for Solid State and Materials Research, IFW Dresden
Jochen Geck: Leibniz Institute for Solid State and Materials Research, IFW Dresden
Thorsten Schmitt: Paul Scherrer Institut
Jeroen van den Brink: Leibniz Institute for Solid State and Materials Research, IFW Dresden

Nature Communications, 2016, vol. 7, issue 1, 1-7

Abstract: Abstract Strongly correlated insulators are broadly divided into two classes: Mott–Hubbard insulators, where the insulating gap is driven by the Coulomb repulsion U on the transition-metal cation, and charge-transfer insulators, where the gap is driven by the charge-transfer energy Δ between the cation and the ligand anions. The relative magnitudes of U and Δ determine which class a material belongs to, and subsequently the nature of its low-energy excitations. These energy scales are typically understood through the local chemistry of the active ions. Here we show that the situation is more complex in the low-dimensional charge-transfer insulator Li2CuO2, where Δ has a large non-electronic component. Combining resonant inelastic X-ray scattering with detailed modelling, we determine how the elementary lattice, charge, spin and orbital excitations are entangled in this material. This results in a large lattice-driven renormalization of Δ, which significantly reshapes the fundamental electronic properties of Li2CuO2.

Date: 2016
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DOI: 10.1038/ncomms10563

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