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arXiv:2410.07347 · Physical review. B./Physical review. B

Resonant inelastic x-ray scattering spectra of spinon, doublon, and quarton excitations of a spin- 1 2 antiferromagnetic Heisenberg trimer chain

Junli Li, Jun-Qing Cheng, Trinanjan Datta, Dao‐Xin Yao

Published Jan 7, 2025• 3 citations
arXivHTMLPDF

Abstract

We investigate the excitation spectra of a spin-1/2 antiferromagnetic Heisenberg trimer spin chain by employing a combination of numerical and theoretical techniques. Utilizing the Krylov-space correction-vector method in density matrix renormalization group (DMRG), we calculate both the direct and indirect resonant inelastic x-ray scattering (RIXS) spectra for the trimer spin chain. To interpret the observed features in the RIXS spectra, we perform a theoretical perturbative analysis to compute the energy dispersions, which are then utilized to determine the density of states (DOS) for both the single-particle and the two-particle excitation spectra. Our results show that the single-particle continua of the direct RIXS spectrum align with the energy levels observed in the DOS spectra of spinon, doublon, and quarton excitations. Furthermore, the two-particle continua are revealed in the indirect RIXS process, where all possible single-particle excitations combine to form the various two-particle excitations of the trimer spin chain. Based on our calculations, we propose the RIXS mechanism of generating the fractionalized (spinon) and collective (doublon and quarton) excitations in the trimer spin chain at both the $L$ edge and the $K$ edge, including discussing the interplay of these excitations in the RIXS spectrum for various trimer coupling strength. The computed energy range of the excitations suggest the possibility of experimental detection at both the $L$ edge and the $K$ edge within the current capabilities of RIXS instrumentation resolution.

DOI
10.1103/physrevb.111.024404

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Abstract We investigate the spin dynamics of a 1D spin-1/2 Heisenberg tetramer chain. Employing a combination of density matrix renormalization group, quantum renormalization group, and perturbation theory techniques, we compute the energy levels and the quantum phase diagram, analyze the phase transitions, and evaluate the dynamical structure factor (DSF), which is related to the inelastic neutron scattering (INS) spectrum and the resonant inelastic x-ray scattering (RIXS) spectrum of fractionalized and collective excitations. Our calculations suggest that the chain can transition between a hidden Z 2 × Z 2 discrete symmetry preserving tetramer phase and a Haldane phase with non-vanishing string order that breaks the hidden symmetry. These two gapped phases are intervened by an intermediate deconfined quantum critical state comprising of free spins and three-site doublets, which is a gapless critical phase with deconfined spinons that can be detected either by INS or L -edge RIXS. We find that the tetramer chain can support fractionalized (spinon) and collective (triplon and quinton) excitations. In the ferromagnetic intra-tetramer limit, the chain can support a quinton excitation which has a five-fold degenerate excited state. String order parameter calculations suggest CuInVO 5 should be in a Haldane-like phase whose INS or L -edge RIXS spectrum can support observable single-spin excitations including triplon and quinton excitations. We also identify possible two-particle excitations (two-singlon, two-triplon, triplon-quinton, and two-quinton excitations) resulting from the double spin-flip effect in the K -edge RIXS spectrum.
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We investigate spin-flip excitations in the spin-1/2 trimer chain Cu3(P2O6OH)2\rm{Cu_3(P_2O_6OH)_2}Cu3​(P2​O6​OH)2​, featuring an antiferromagnetic exchange motif J1J_1J1​-J1J_1J1​-J2J_2J2​ with J1<J2J_1 < J_2J1​<J2​. Using density matrix renormalization group (DMRG) simulations, we demonstrate that single-spin-flip processes induced by resonant inelastic X-ray scattering (RIXS) generate emergent gapless modes governed by the underlying trimer periodicity alongside distinct high-energy excitations. By combining exact diagonalization and real-space renormalization group (RG) techniques, we attribute these features to fractionalized spinons and composite quasiparticles arising from one- and two-trimer excitations. Furthermore, we show that multi-spin RIXS excitations yield experimentally distinguishable spectral signatures of composite modes absent in single-spin-flip spectra. At the field-induced 1/3 magnetization plateau, single-spin-flip RIXS spectra evolves with the magnetic field to favor spin-polarized composite quasiparticles. This trend culminates in a gapless spectrum of spin-1 excitations beyond the plateau, paving the way for field-tuned Bose condensation of composite modes.
Resonant inelastic x-ray scattering (RIXS) at the oxygen K -edge has recently accessed multi-spinon excitations in the one-dimensional antiferromagnet (1D-AFM) Sr 2 CuO 3 , where four-spinon excitations are resolved separately from the two-spinon continuum. This technique, therefore, provides new opportunities to study fractionalized quasiparticle excitations in doped 1D-AFMs. To this end, we carried out exact diagonalization studies of the doped t – J model and provided predictions for oxygen K -edge RIXS experiments on doped 1D-AFMs. We show that the RIXS spectra are rich, containing distinct two- and four-spinon excitations, dispersive antiholon excitations, and combinations thereof. Our results highlight how RIXS complements inelastic neutron scattering experiments by accessing additional charge and spin components of fractionalized quasiparticles.
We determine the spin-exchange dynamical structure factor of the Heisenberg spin chain, as is measured by indirect resonant inelastic x-ray scattering (RIXS). We find that two-spin RIXS excitations nearly entirely fractionalize into two-spinon states. These share the same continuum lower bound as single-spin neutron scattering excitations, even if the relevant final states belong to orthogonal symmetry sectors. The RIXS spectral weight is mainly carried by higher-energy excitations, and is beyond the reach of the low-energy effective theories of Luttinger liquid type.
Abstract We present a method for computing the resonant inelastic x-ray scattering (RIXS) spectra in one-dimensional systems using the density matrix renormalization group (DMRG) method. By using DMRG to address this problem, we shift the computational bottleneck from the memory requirements associated with exact diagonalization (ED) calculations to the computational time associated with the DMRG algorithm. This approach is then used to obtain RIXS spectra on cluster sizes well beyond state-of-the-art ED techniques. Using this new procedure, we compute the low-energy magnetic excitations observed in Cu L-edge RIXS for the challenging corner shared CuO4 chains, both for large multi-orbital clusters and downfolded t-J chains. We are able to directly compare results obtained from both models defined in clusters with identical momentum resolution. In the strong coupling limit, we find that the downfolded t-J model captures the main features of the magnetic excitations probed by RIXS only after a uniform scaling of the spectra is made.