Abstract
The competition between spin-orbit coupling (SOC) λ and electron-electron interaction U leads to a plethora of novel states of matter, extensively studied in the context of t2g4 and t2g5 materials, such as ruthenates and iridates. Excitonic magnets—the antiferromagnetic state of bounded electron-hole pairs-are prominent examples of phenomena driven by those competing energy scales. Interestingly, recent theoretical studies predicted that excitonic magnets can be found in the ground state of SOC t2g4 Hubbard models. Here we present a detailed computational study of the magnetic excitations in that excitonic magnet, employing one-dimensional chains (via density matrix renormalization group) and small two-dimensional clusters (via Lanczos). Specifically, first we show that the low-energy spectrum is dominated by a dispersive (acoustic) magnonic mode, with extra features arising from the λ=0 state in the phase diagram. Second, and more importantly, we found a novel magnetic excitation forming a high-energy optical mode with the highest intensity at wave-vector q→0. In the excitonic condensation regime at large U, we also have found a novel high-energy π mode composed solely of orbital excitations. These features do not appear all together in any of the neighboring states in the phase diagram and thus constitute unique fingerprints of the t2g4 excitonic magnet, of importance in the analysis of neutron and resonant inelastic x-ray scattering experiments.
Original language | English |
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Article number | 235135 |
Journal | Physical Review B |
Volume | 104 |
Issue number | 23 |
DOIs | |
State | Published - Dec 15 2021 |
Funding
N.K. and E.D. were supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES), Materials Science and Engineering Division. J.H. acknowledges grant support by the Polish National Agency for Academic Exchange (NAWA) under Contract No. PPN/PPO/2018/1/00035 and by the National Science Centre (NCN), Poland, via Project No. 2019/35/B/ST3/01207. G.A. was partially supported by the Scientific Discovery through Advanced Computing (SciDAC) program funded by U.S. DOE, Office of Science, Advanced Scientific Computing Research and BES, Division of Materials Sciences and Engineering. The work of G.A. was conducted at the Center for Nanophase Materials Science, sponsored by the Scientific User Facilities Division, BES, DOE, under contract with UT-Battelle.