Bulletin of the American Physical Society
APS March Meeting 2019
Volume 64, Number 2
Monday–Friday, March 4–8, 2019; Boston, Massachusetts
Session A46: 4d/5d Transition Metal Systems -- Perovskite and Honeycomb Iridates
8:00 AM–10:48 AM,
Monday, March 4, 2019
BCEC
Room: 212
Sponsoring
Units:
DMP GMAG
Chair: Feng Ye, Oak Ridge National Laboratory
Abstract: A46.00003 : Role of non-local correlations for spectral properties of Sr2IrO4*
8:48 AM–9:00 AM
Presenter:
Benjamin Lenz
(Centre de Physique Théorique (CPHT), Ecole Polytechnique)
Authors:
Benjamin Lenz
(Centre de Physique Théorique (CPHT), Ecole Polytechnique)
Cyril Martins
(Laboratoire de Chimie et Physique Quantiques, Université Paul Sabatier Toulouse)
Silke Biermann
(Centre de Physique Théorique (CPHT), Ecole Polytechnique)
Here, we study the evolution of the spectral function of this 5d transition metal system as a function of doping by means of a combined ab-initio electronic structure and many-body quantum cluster approach. Thereby, important ingredients like spin-orbit coupling and distortions of the oxygen octahedra as well as Hubbard interactions and non-local charge fluctuations are taken into account. The spectral function of pure Sr2IrO4 is analyzed both in its high-temperature paramagnetic and in its low-temperature antiferromagnetic phase and the importance of non-local fluctuations is discussed. The spectra compare well with angular-resolved photoemission measurements and allow to study emerging changes under electron- and hole-doping. Special emphasis is placed on pseudogap features of the spectral function of electron-doped Sr2IrO4, which are found to be in good agreement with experiment.
*This work was supported by a Consolidator Grant of the European Research Council (CorrelMat-617196), the French Agence Nationale de la Recherche (ANR-15-CE30-0009-01) and IDRIS/GENCI Orsay (t2017091393).
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