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Colin L. Sarkis

Publications and source records attributed to Colin L. Sarkis.

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Orbital-selective oxygen holes in cuprate ladders beyond the Zhang-Rice paradigm

The electronic structure of the spin-ladder cuprate Sr14Cu24O41 challenges the presumed universality of the Zhang-Rice singlet (ZRS) framework and models based exclusively on Cu-O hybridized orbitals. Combining polarization-dependent resonant soft X-ray scattering at the O K-edge with inelastic neutron scattering, we show that doped holes in the Cu2O3 ladders localize predominantly in planar non-bonding O 2pz (pπ) orbitals of rung oxygen sites rather than forming conventional ZRS states. Polarization-resolved RSXS uniquely identifies this orbital assignment, while lattice and magnetic excitations reveal its coupled consequences, establishing a unified microscopic picture that excludes the conventional σ-bonded singlet. This oxygen-sublattice charge order produces an anomalous diagonal stretching phonon and explains the absence of incommensurate magnetic fluctuations and anomalous magnon splitting. These findings motivate a reassessment of hole pairing in ladder cuprates and the sufficiency of copper-centric models for cuprate superconductors.

cond-mat.str-el

Winding feature and thermal evolution of the Dirac magnons in CrI$_3$

Two-dimensional honeycomb lattice ferromagnet chromium tri-iodide (CrI$_3$) has attracted tremendous interest because it retains ferromagnetism down to the monolayer limit and hosts intriguing topological magnons. As a prototypical van der Waals magnet, CrI$_3$ provides an ideal platform for exploring the interplay between reduced dimensionality, magnetic order, and nontrivial spin excitations. Here, using inelastic neutron scattering together with improved sample quality, we uncover the magnon winding feature around the $K$-point of the hexagonal Brillouin zone, a key signature of Dirac magnons. In addition, we find that the magnon energy follows a $T^2$-renormalization behavior at elevated temperatures, consistent with magnon-magnon interactions. These results provide previously missing information on the magnon spectrum of CrI$_3$ and further consolidate the topological nature of its spin excitations.

cond-mat.mtrl-sci

Benchmarking quantum simulation with neutron-scattering experiments

Realistic simulation of quantum materials is a central goal of quantum computation. Although quantum processors have advanced rapidly in scale and fidelity, it has remained unclear whether pre-fault-tolerant devices can perform quantitatively reliable material simulations. We demonstrate that a superconducting quantum processor operating on up to 50 qubits can already produce meaningful, quantitative comparisons with inelastic neutron-scattering measurements of KCuF$_3$, a canonical realization of a gapless Luttinger liquid system with a strongly correlated ground state and a spectrum of emergent spinons. The quantum simulation is enabled by a quantum-classical workflow for computing dynamical structure factors (DSFs). The resulting spectra are benchmarked against experimental measurements using multiple metrics, highlighting the impact of circuit depth and circuit fidelity on simulation accuracy. Finally, we extend our simulations to a 1D XXZ Heisenberg model with next-nearest-neighbor (NNN) interactions and a strong anisotropy, producing a gapped excitation spectrum, which could be used to describe the CsCoX$_3$ compounds above the Néel temperature. Our results establish a framework for computing DSFs for quantum materials in classically challenging regimes of strong entanglement and long-range interactions, enabling quantum simulations that are directly testable against laboratory measurements.

quant-ph

Field-direction sensitivity of Kondo hybridization in UTe$_2$

Neutron scattering experiments on the spin-triplet superconductor UTe$_2$ have established that the dominant low-energy magnetic response is along Brillouin zone boundaries, resembling the magnetic susceptibility of narrow-gap interband excitations. We report a study of the sensitivity of these excitations to magnetic field along the crystallographic $\hat{a}$-axis. Up to fields of $μ_0 H$=13 T, the maximal inelastic neutron spectral weight increases in energy transfer, with a pronounced increase in $d\hbarω_{peak}/dH$ near $μ_0 H$=7 T. This behavior parallels the field and temperature dependent features of the electrical resistivity that are associated with Kondo hybridization. Our measurements suggest that $\hat{a}$-axis fields near $μ_0 H$=7~T induce a change in the hybridization between heavy $f$-electrons and the bare conduction band.

cond-mat.str-el

Quenched Disorder in the Triangular Lattice Antiferromagnet YbZn$_2$GaO$_5$

We investigate the crystal electric field (CEF) excitations of Yb$^{3+}$ ions in powder samples of the triangular-lattice rare-earth-based antiferromagnet YbZn$_2$GaO$_5$ using inelastic neutron scattering (INS). Three CEF excitations from the ground-state Kramers doublet were observed, each exhibiting significant broadening beyond instrumental resolution. Combining temperature-dependent INS and neutron powder diffraction, we identify a significant static contribution to this broadening and attribute it to heterogeneous coordination of Yb$^{3+}$ ions due to Ga$^{3+}$/Zn$^{2+}$ site mixing. Rietveld refinement of neutron powder diffraction indicates that 35% of Ga occupies the Zn site and 60% of Zn occupies the Ga site. We show with a point charge model for the CEF Hamiltonian that heterogeneous coordination of Yb$^{3+}$ ions leads to broadened CEF peaks. First-principles calculations demonstrate that the random Ga$^{3+}$/Zn$^{2+}$ distribution can produce the distortions of the YbO$_6$ octahedra observed from neutron diffraction. Because the documented heterogeneity will extend to exchange interactions, our results suggest that disorder is a significant factor in the unusual magnetism previously reported in YbZn$_2$GaO$_5$, including broad low-energy magnetic excitations and the absence of magnetic ordering down to 0.3K.

cond-mat.str-el

Review of honeycomb-based Kitaev materials with zigzag magnetic ordering

The search for a Kitaev quantum spin liquid in crystalline magnetic materials has fueled intense interest in the two-dimensional honeycomb systems. Many promising candidate Kitaev systems are characterized by a long range ordered magnetic structure with an antiferromagnetic zigzag-type order, where the static moments form alternating ferromagnetic chains. Recent experiments on high-quality single crystals uncovered the existence of intriguing multi-$\mathbf{k}$ magnetic structures, which evolved from zigzag structures. Those discoveries have sparked new theoretical developments and amplified interest in these materials. We present an overview of the honeycomb materials known to display this type of magnetic structure and provide detailed crystallographic information for the possible single and multi-$\mathbf{k}$ variants.

cond-mat.str-el

Experimental Evidence for Non-spherical Magnetic Form Factor in Ru$^{3+}$

The Mott insulator $α$-RuCl$_3$ has generated great interest in the community due to its possible field-induced Kitaev quantum spin liquid state. Despite enormous effort spent trying to obtain the form of the low energy Hamiltonian, there is currently no agreed upon set of parameters which is able to explain all of the data. A key piece of missing information lies in the determination of the magnetic form factor of Ru$^{3+}$, particularly for a true quantitative treatment of inelastic neutron scattering data. Here we present the experimentally derived magnetic form factor of Ru$^{3+}$ in the low spin 4$d^5$ state using polarized neutron diffraction within the paramagnetic regime on high quality single crystals of $α$-RuCl$_3$. We observe strong evidence of an anisotropic form factor, expected of the spin-orbit coupled $j_{\textrm{eff}} = \frac{1}{2}$ ground state. We model the static magnetization density in increasing complexity from simple isotropic cases, to a multipolar expansion, and finally \emph{ab initio} calculations of the generalized $j_{\textrm{eff}} = \frac{1}{2}$ ground state. Comparison of both single ion models and inclusion of Cl$^-$ anions support the presence of hybridization of Ru$^{3+}$ with the surrounding Cl$^{-}$ ligands.

cond-mat.str-el

Structure transition and zigzag magnetic order in Ir/Rh-substituted honeycomb lattice RuCl3

We report magnetization and neutron diffraction studies on crystal and magnetic structures of Ir- and Rh-substituted honeycomb lattice $α$-RuCl$_3$. The iridium or rhodium atoms are distributed at the Ru site with little structural modification. Both systems undergo a room-temperature monoclinic $C2/m$ to low-temperature trigonal $R\bar{3}$ phase transformation with a large recoverable hysteresis. At low temperature, a zigzag spin order is observed with the same characteristic wavevector $(0,0.5,1)$ as in the parent $α$-RuCl$_3$. Detailed magnetic structure refinement reveals an ordered moment of $\rm 0.32(5) μ_B/Ru$ and a upper boundary of canting angle of $15(4)^\circ$ away from the basal plane at 5~K for the 10\% Ir-substituted $α$-RuCl$_3$, which is different from the 0.45-0.73~$\rm μ_B/Ru$ and $32^\circ$-$48^\circ$ canting angle reported in the parent compound $α$-RuCl$_3$. The observation of unchanged RuCl$_6$ local octahedral environment, reduced magnetic moment size and canting angle highlights the potential to study quantum spin liquid behavior through non-magnetic ion doping.

cond-mat.mtrl-sci