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TT: Fachverband Tiefe Temperaturen
TT 7: Correlated Electrons: Electronic Structure Calculations
TT 7.11: Talk
Monday, March 18, 2024, 12:15–12:30, H 3025
Electron glass phase with resilient Zhang-Rice singlets in LiCu3O3 — •Armando Consiglio1, Gianmarco Gatti2, Edoardo Martino2, Tobias Hofmann1, Ronny Thomale1, Giorgio Sangiovanni1, Domenico Di Sante3, Martin Greiter1, Marco Grioni2, and Simon Moser2,4,5 — 1Institut für Theoretische Physik und Astrophysik and Würzburg-Dresden Cluster of Excellence ct.qmat, Universität Würzburg, Germany — 2Institute of Physics, Ecole Polytechnique Fédérale de Lausanne, Switzerland — 3Department of Physics and Astronomy, University of Bologna, Italy — 4Advanced Light Source, Berkeley, California 94720, USA — 5Physikalisches Institut and Würzburg-Dresden Cluster of Excellence ct.qmat, Universität Würzburg, Germany
LiCu3O3 is an antiferromagnetic cuprate where Li substitution disrupts the native arrangement of edge-sharing Cu(II)O and Cu(I) ions. Utilizing angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT), we reveal two distinct insulating electronic subsystems arising from Li-induced disorder. The first involves a Cu dz2/O pz valence band dispersing on the Cu(I) plane, while the second showcases a resilient Cu 3dx2−y2/O 2px,y derived Zhang-Rice singlet (ZRS) band on the Cu(II)O planes. Li’s impact stabilizes the insulating ground state, also inducing a unique 2D electron glass behavior in charge transport, as observed through ARPES. This study underlines that, despite disorder, the Cu(II)-derived ZRS remains largely unaffected from impurity scattering and implies a local segregation of Li and Cu atoms.
Keywords: Density Functional Theory; Electronic structure; Cuprates; Zhang-Rice singlets; Electron glass