Predicting Fractionalized Multi-Spin Excitations in Resonant Inelastic X-ray Spectra of Frustrated Spin-1/2 Trimer Chains

TL;DR

This paper theoretically analyzes RIXS spectra in frustrated spin-1/2 trimer chains, revealing fractionalized excitations and uncovering new high-energy modes that complement neutron scattering results.

Contribution

It introduces a detailed theoretical framework for RIXS in frustrated trimers, identifying new high-energy excitations and fractionalization phenomena not observed in prior neutron scattering studies.

Findings

Identification of fractionalization into spinons, doublons, and quartons.

Discovery of two new high-energy modes at specific energies.

Complementary insights to previous neutron scattering results.

Abstract

We theoretically investigate the resonant inelastic X-ray scattering (RIXS) spectra in a quasi-1D chain of weakly coupled frustrated spin-1/2 trimers, as realized in Na$_{2}$Cu$_{3}$Ge$_{4}$O$_{12}$, with Cu $d^{9}$ 1/2 spins. We compute multi-spin correlations contributing to spin-conserving (SC) and spin non-conserving (NSC) RIXS cross-sections using ultra-short core-hole lifetime expansion within the Kramer-Heisenberg formalism. These excitations involve flipping spins of up to three spin-1/2 trimers and include the inelastic neutron scattering (INS) single spin-flip excitations in the lowest order of the NSC channel. We identify the fractionalization of two coupled frustrated trimers in terms of spinons, doublons, and quartons in the spectra evaluated using exact diagonalization, complementing prior studies single spin-spin flip excitation in inelastic neutron scattering. Specifically, we uncover two new high-energy modes at $\omega \approx 2.4J_1$ and $3.0 J_1$ in the NSC and SC channels that are accessible at the Cu $K$-edge and $L$-edge RIXS spectra, which were missing in the INS study. This, therefore, provides pathways to uncover all the possible excitations in coupled trimers. Our work opens new opportunities for understanding the nature of fractionalization and RIXS spectra of frustrated, low-dimensional spin chains.