Quantum Spin Research Articles

Simulating spin biology using a digital quantum computer: Prospects on a near-term quantum hardware emulator

Understanding the intricate quantum spin dynamics of radical pair reactions is crucial for unraveling the underlying nature of chemical processes across diverse scientific domains. In this work, we leverage Trotterization to map coherent radical pair spin dynamics onto a digital gate-based quantum simulation. Our results demonstrated an agreement between the idealized noiseless quantum circuit simulations and established master equation approaches for homogeneous radical pair recombination, identifying ∼15 Trotter steps to be sufficient for faithfully reproducing the coupled spin dynamics of a prototypical system. By utilizing this computational technique to study the dynamics of spin systems of biological relevance, our findings underscore the potential of digital quantum simulation (DQS) of complex radical pair reactions and builds the groundwork toward more utilitarian investigations into their intricate reaction dynamics. We further investigate the effect of realistic error models on our DQS approach and provide an upper limit for the number of Trotter steps that can currently be applied in the absence of error mitigation techniques before losing simulation accuracy to deleterious noise effects.

Quantum Effects on Cosmic Scales as an Alternative to Dark Matter and Dark Energy

The spin-torsion theory is a gauge theory approach to gravity that expands upon Einstein’s general relativity (GR) by incorporating the spin of microparticles. In this study, we further develop the spin-torsion theory to examine spherically symmetric and static gravitational systems that involve free-falling macroscopic particles. We posit that the quantum spin of macroscopic matter becomes noteworthy at cosmic scales. We further assume that the Dirac spinor and Dirac equation adequately capture all essential physical characteristics of the particles and their associated processes. A crucial aspect of our approach involves substituting the constant mass in the Dirac equation with a scale function, allowing us to establish a connection between quantum effects and the scale of gravitational systems. This mechanism ensures that the quantum effect of macroscopic matter is scale-dependent and diminishes locally, a phenomenon not observed in microparticles. For any given matter density distribution, our theory predicts an additional quantum term, the quantum potential energy (QPE), within the mass expression. The QPE induces time dilation and distance contraction, and thus mimics a gravitational well. When applied to cosmology, our theory yields a static cosmological model. The QPE serves as a counterpart to the cosmological constant introduced by Einstein to balance gravity in his static cosmological model. The QPE also offers a plausible explanation for the origin of Hubble redshift (traditionally attributed to the universe’s expansion). The predicted luminosity distance–redshift relation aligns remarkably well with SNe Ia data from the cosmological sample of SNe Ia. In the context of galaxies, the QPE functions as the equivalent of dark matter. The predicted circular velocities align well with rotation curve data from the SPARC (Spitzer Photometry and Accurate Rotation Curves database) sample. Importantly, our conclusions in this paper are reached through a conventional approach, with the sole assumption of the quantum effects of macroscopic matter at large scales, without the need for additional modifications or assumptions.

Phase diagram of the topologically frustrated XY chain

Landau theory’s implicit assumption that microscopic details cannot affect the global phases has been challenged only recently in systems such as antiferromagnetic quantum spin chains with periodic boundary conditions. The new paradigm of topological frustration has been accordingly put forward. In this context, the quantum phases exhibit a dependence on the boundary conditions. In this work, we show that topological frustration modifies the zero temperature phase diagram of the XY chain in a transverse magnetic field by inducing new boundary quantum phase transitions. Here, by boundary quantum phase transitions we mean non-analyticities that are non-extensive in the number of particles. Such transitions are both of first and second order. Moreover, we come across the first case of second order boundary quantum phase transition characterized by a quartic dispersion relation. Our analytical results are supported by both analytical calculations and numerical investigations, and lay the foundation for understanding the phase diagram of frustrated model.

Phosphoryl group wires stabilize pathological tau fibrils as revealed by multiple quantum spin counting NMR.

Hyperphosphorylation of the protein tau is one of the biomarkers of neurodegenerative diseases in the category of tauopathies. However, the molecular level, mechanistic, role of this common post-translational modification (PTM) in enhancing or reducing the aggregation propensity of tau is unclear, especially considering that combinatorial phosphorylation of multiple sites can have complex, non-additive, effects on tau protein aggregation. Since tau proteins stack in register and parallel to elongate into pathological fibrils, phosphoryl groups from adjacent tau strands with 4.8 Å separation must find an energetically favorable spatial arrangement. At first glance, this appears to be an unfavorable configuration due to the proximity of negative charges between phosphate groups from adjacent neighboring tau fibrils. However, this study tests a counterhypothesis that phosphoryl groups within the fibril core-forming segments favorably assemble into highly ordered, hydrogen-bonded, one-dimensionally extended wires under biologically relevant conditions. We selected two phosphorylation sites associated with neurodegeneration, serine 305 (S305p) and tyrosine 310 (Y310p), on a model tau peptide jR2R3-P301L (tau295-313) spanning the R2/R3 splice junction of tau, that readily aggregate into a fibril with characteristics of a seed-competent mini prion. Using multiple quantum spin counting (MQ-SC) by 31P solid-state NMR of phosphorylated jR2R3-P301L tau peptide fibrils, enhanced by dynamic nuclear polarization, we find that at least six phosphorous spins must neatly arrange in 1D within fibrils or in 2D within a protofibril to yield the experimentally observed MQ-coherence orders of four. We found that S305p stabilizes the tau fibrils and leads to more seeding-competent fibrils compared to jR2R3 P301L or Y310p. This study introduces a new concept that phosphorylation of residues within a core forming tau segment can mechanically facilitate fibril registry and stability due a hitherto unrecognized role of phosphoryl groups to form highly ordered, extended, 1D wires that stabilize pathological tau fibrils.

Persistent Ballistic Entanglement Spreading with Optimal Control in Quantum Spin Chains.

Entanglement propagation provides a key routine to understand quantum many-body dynamics in and out of equilibrium. Entanglement entropy (EE) usually approaches to a subsaturation known as the Page value S[over ˜]_{P}=S[over ˜]-dS (with S[over ˜] the maximum of EE and dS the Page correction) in, e.g., the random unitary evolutions. The ballistic spreading of EE usually appears in the early time and will be deviated far before the Page value is reached. In this work, we uncover that the magnetic field that maximizes the EE robustly induces persistent ballistic spreading of entanglement in quantum spin chains. The linear growth of EE is demonstrated to persist until the maximal S[over ˜] (along with a flat entanglement spectrum) is reached. The robustness of ballistic spreading and the enhancement of EE under such an optimal control are demonstrated, considering particularly perturbing the initial state by random pure states (RPSs). These are argued as the results from the endomorphism of the time evolution under such an entanglement-enhancing optimal control for the RPSs.

Compton Amplitude for Rotating Black Hole from QFT.

We construct a candidate tree-level gravitational Compton amplitude for a rotating Kerr black hole, for any quantum spin s=0,1/2,1,…,∞, from which we extract the corresponding classical amplitude to all orders in the spin vector S^{μ}. We use multiple insights from massive higher-spin quantum field theory, such as massive gauge invariance and improved behavior in the massless limit. A chiral-field approach is particularly helpful in ensuring correct degrees of freedom, and for writing down compact off-shell interactions for general spin. The simplicity of the interactions is echoed in the structure of the spin-s Compton amplitude, for which we use homogeneous symmetric polynomials of the spin variables. Where possible, we compare to the general-relativity results in the literature, available up to eighth order in spin.

Magnetocaloric effect of topological excitations in Kitaev magnets

Traditional magnetic sub-Kelvin cooling relies on the nearly free local moments in hydrate paramagnetic salts, whose utility is hampered by the dilute magnetic ions and low thermal conductivity. Here we propose to use instead fractional excitations inherent to quantum spin liquids (QSLs) as an alternative, which are sensitive to external fields and can induce a very distinctive magnetocaloric effect. With state-of-the-art tensor-network approach, we compute low-temperature properties of Kitaev honeycomb model. For the ferromagnetic case, strong demagnetization cooling effect is observed due to the nearly free Z2 vortices via spin fractionalization, described by a paramagnetic equation of state with a renormalized Curie constant. For the antiferromagnetic Kitaev case, we uncover an intermediate-field gapless QSL phase with very large spin entropy, possibly due to the emergence of spinon Fermi surface and gauge field. Potential realization of topological excitation magnetocalorics in Kitaev materials is also discussed, which may offer a promising pathway to circumvent existing limitations in the paramagnetic hydrates.

Ti3O MOenes: Quantum Spin Hall Effect and Promising Semiconductors for Light-Harvesting.

The continuous pursuit of novel two-dimensional (2D) materials with intriguing properties has been a driving force in advancing various scientific and technological frontiers. Here, based on a wide range of first-principles calculations, we predicted the existence of a novel family of 2D transition-metal oxides, the Ti3O MOenes (MXene-like 2D transition oxides), and determined its distinctive electronic and topological properties. A pair of 2D antiferromagnetic (AFM) Dirac points precisely located at the Fermi level in the absence of spin-orbit coupling (SOC) is observed in the 1T-Ti3O monolayer. Moreover, upon halogenation on a bare monolayer, 1T-Ti3OCl3 and 1T-Ti3OBr3 monolayers display the quantum spin Hall (QSH) effect with nontrivial helical edge states within the gapless bulk states. Specifically, single layer 1T-Ti3OF3 behaves as an indirect semiconductor with a gap of 0.81 eV, exhibiting a strong light-harvesting capability. The indirect-gap feature can be switched to a direct one by only exerting a small tensile strain of 1.5%. These findings broaden emerging phenomena in a rich family of MOenes, suggesting a novel platform for the development of next-generation nanodevices.

Triplon analysis of magnetic disorder and order in maple-leaf Heisenberg magnet

The nearest-neighbor spin-1/2 Heisenberg model on the maple-leaf lattice formed by hexagons (couplingJh), triangles (couplingJt), and dimers (couplingJd), is investigated in a parameter regime whereJh>0andJt,Jd<0. This investigation aims to identify regions hosting exotic valence-bond solid states. Two potential magnetically disordered ground states are identified, and their stability is assessed through plaquette-triplon mean-field analyses. The resulting quantum phase diagram reveals that at large|Jt|and|Jd|, the system adopts a magnetically disordered dimerized VBS state, while for small|Jd|, it stabilizes a Néel state. A second-order phase transition from the dimerized phase to a Néel phase is observed, which, being Landau-forbidden, suggests the potential presence of exotic phenomena such as a deconfined quantum critical point or the appearance of a quantum spin liquid. This work provides insights into the phase diagram of the nearest-neighbor spin-1/2 Heisenberg model on the maple-leaf lattice and lays the groundwork for further investigations into its intriguing physics.

Spin- S Kitaev-Heisenberg model on the honeycomb lattice: A high-order treatment via the many-body coupled cluster method

We study the spin-S Kitaev-Heisenberg model on the honeycomb lattice for S=1/2, 1, and 3/2, by using the coupled cluster method (CCM) of microscopic quantum many-body theory. This system is one of the earliest extensions of the Kitaev model and is believed to contain two extended spin liquid phases for any value of the spin quantum number S. We show that the CCM delivers accurate estimates for the phase boundaries of these spin liquid phases, as well as other transition points in the phase diagram. Moreover, we find evidence of two unexpected narrow phases for S=1/2, one sandwiched between the zigzag and ferromagnetic phases and the other between the Néel and the stripy phases. The results establish the CCM as a versatile numerical technique that can capture the strong quantum-mechanical fluctuations that are inherently present in generalized Kitaev models with competing bond-dependent anisotropies. Published by the American Physical Society 2024

Engineering Topological States in Nanographenes

Our research focuses on the rational design, deterministic assembly, and detailed investigation of the physical phenomena emerging from quantum confinement effects in graphene nanomaterials. We pursue a highly integrated multidisciplinary program, founded on synthetic bottom-up approaches toward functional materials with precisely defined structure. We control their assembly into hierarchically ordered architectures and evaluate inherent physical properties using modern scanning probe techniques cross multiple length, time, and energy scales. We recently demonstrated the rational design and experimental realization of a graphene nanoribbon (GNR) superlattices that hosts a 1D array of symmetry-protected topological states, thus generating otherwise inaccessible electronic structure.1 This new class of materials can be thought of as an extended form of poly-acetylene wherein highly localized half-filled topological states replace the familiar single occupied p-orbitals along a conjugated π-system. Experimental results and first-principles calculations reveal that the frontier band structure of these GNR superlattices is defined purely by the coupling between adjacent topological interface states and can be tuned all the way from a semiconductor and a metal.2,3 This novel manifestation of 1D topological phases presents an entirely new route to band engineering in 1D materials based on precise control of their electronic topology and is a promising new platform for future studies of 1D quantum spin physics and metallicity in low dimensional carbon nanomaterials. 1. Topological Band Engineering of Graphene Nanoribbons. Rizzo, D. J.; Veber, G.; Cao, T.; Bronner, C.; Chen, T.; Zhao, F.; Rodriguez, H.; Louie, S. G.; Crommie, M. F.; Fischer, F. R. Nature 2018, 560, 204-206. 2. Inducing Metallicity in Graphene Nanoribbons via Zero-Mode Superlattices. Rizzo, D. J.; Veber, G.; Jiang, J.; McCurdy, R.; Cao, T.; Bronner, C.; Chen, T.; Louie, S. G.; Fischer, F. R.; Crommie, M. F. Science 2020, 369, 1597-1603. 3. Robust Metallic Zero-Mode States in Olympicene Graphene Nanoribbons. McCurdy, R. D.; Delgado, A.; Jiang, J.; Zhu, J.; Wen, E. C. H.; Blackwell, R. E.; Veber, G. C.; Wang, S.; Louie, S. G.; Fischer, F. R. J. Am. Chem. Soc. 2023, 145, 15162-15170.

Holographic spin alignment of J/ψ meson in magnetized plasma

We study the mass spectra and spin alignment of vector meson J/ψ in a thermal magnetized background using a generalized theoretical framework based on gauge/gravity duality. Utilizing a soft wall model for the QGP background and a massive vector field for the J/ψ meson, we delve into the meson’s spectral function and spin parameters (λθ, λφ, λθφ) for different cases, assessing their response to variations in magnetic field strength, momentum, and temperature. We initially examine scenarios where a meson’s momentum aligns parallel to the magnetic field in helicity frame. Our results reveal a magnetic field-induced positive λθH\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\lambda}_{\ heta}^{\ extrm{H}} $$\\end{document} for low meson momentum, transitioning to negative with increased momentum. As a comparison, we also study the case of momentum perpendicular to the magnetic field and find the direction of magnetic field does not affect the qualitative behavior for the eB-dependence of λθH\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\lambda}_{\ heta}^{\ extrm{H}} $$\\end{document}. Moreover, we apply our model to real heavy-ion collisions for three different spin quantization directions. Further comparisons with experimental data show qualitative agreement for spin parameters λθ and λφ in the helicity and Collins-Soper frames.

Designing Quantum Spaces of Higher Dimensionality from a Tetranuclear Erbium-Based Single-Molecule Magnet.

The spin relaxation of an Er3+ tetranuclear single-molecule magnet, [Er(hdcCOT)I]4, (hdcCOT = hexahydrodicyclopentacyclooctatetraenide dianion), is modeled as a near-tetrahedral arrangement of Ising-type spins. Combining evidence from single-crystal X-ray diffraction, magnetometry, and computational techniques, the slow spin relaxation is interpreted as a consequence of symmetry restrictions imposed on quantum tunneling within the cluster core. The union of spin and spatial symmetries describe a ground state spin-spin coupled manifold wherein 16 eigenvectors generate the 3D quantum spin-space described by the vertices of a rhombic dodecahedron. Analysis of the experimental findings in this context reveals a correlation between the magnetic transitions and edges connecting cubic and octahedral subsets of the eigenspace convex hull. Additionally, the model is shown to map to a theoretically proposed quantum Cayley network, indicating an underexplored synergy between mathematical descriptions of molecular spin interactions and quantum computing configuration spaces.

Robust large-gap quantum spin Hall states in stabilized bismuthene on Si(111)-α−3×3-Au

Robust large-gap quantum spin Hall states in stabilized bismuthene on Si(111)-α−3×3-Au

Magnetosonic shock waves in degenerate electron–positron–ion plasma with separated spin densities

This study investigates magnetosonic shock waves in a spin-polarized three-component quantum plasma using the quantum magnetic hydrodynamic model. We explore the influence of spin effects, specifically spin magnetization current and spin pressure, on shock wave behavior. Numerical analysis of the linear dispersion relation under varying parameters such as positron imbalance, spin polarization ratio, plasma beta, quantum diffraction, and magnetic diffusivity reveals differential impacts, with diffusion exerting significant influence on the plasma frequency. Our findings highlight the sensitivity discrepancy between the real and imaginary parts of the dispersion relation. Furthermore, nonlinear behavior of magnetosonic shock waves is examined via the Korteweg–de Vries–Burgers equation, showcasing transitions between oscillatory and monotonic wave patterns based on changes in dimensionless parameters. Notably, we observe the combined effects of spin-up and spin-down positrons with spin-up and spin-down electrons on shock wave dynamics, contributing to a deeper understanding of spin-plasma interactions with implications across various fields.

Possible gapless helical edge states in hydrogenated graphene

Electronic band structures in hydrogenated graphene are theoretically investigated by means of first-principle calculations and an effective tight-binding model. It is shown that regularly designed hydrogenation to graphene gives rise to a large band gap about 1 eV. Remarkably, by changing the spatial pattern of the hydrogenation, topologically distinct states can be realized, where the topological nontriviality is detected by C2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$C_2$$\\end{document} parity indices in bulk and confirmed by the existence of gapless edge/interface states as protected by the mirror and sublattice symmetries. The analysis of the wave functions reveals that the helical edge states in hydrogenated graphene with the appropriate design carry pseudospin currents that are reminiscent of the quantum spin Hall effect. Our work shows the potential of hydrogenated graphene in pseudospin-based device applications.

Orders of Magnitude Improved Cyclotron-Mode Cooling for Nondestructive Spin Quantum Transition Spectroscopy with Single Trapped Antiprotons.

We demonstrate efficient subthermal cooling of the modified cyclotron mode of a single trapped antiproton and reach particle temperatures T_{+}=E_{+}/k_{B} below 200mK in preparation times shorter than 500s. This corresponds to the fastest resistive single-particle cyclotron cooling to subthermal temperatures ever demonstrated. By cooling trapped particles to such low energies, we demonstrate the detection of antiproton spin transitions with an error rate <0.000 023, more than 3 orders of magnitude better than in previous best experiments. This method has enormous impact on multi-Penning-trap experiments that measure magnetic moments with single nuclear spins for tests of matter and antimatter symmetry, high-precision mass spectrometry, and measurements of electron g factors bound to highly charged ions that test quantum electrodynamics and establish standards for magnetometry.

Maximal diameter of integral circulant graphs

Integral circulant graphs are proposed as models for quantum spin networks enabling perfect state transfer. Understanding the potential information transfer between nodes in such networks involves calculating the maximal graph diameter. The integral circulant graph ICGn(D) has vertex set Zn={0,1,2,…,n−1}, with vertices a and b adjacent if gcd⁡(a−b,n)∈D, where D⊆{d:d|n,1≤d<n}. Building on the upper bound 2|D|+1 for the diameter provided by Saxena, Severini, and Shparlinski, we prove that the maximal diameter of ICGn(D) for a given order n with prime factorization p1α1⋯pkαk is r(n) or r(n)+1, where r(n)=k+|{i|αi>1,1≤i≤k}|. We show that a divisor set D with |D|≤k achieves this bound. We calculate the maximal diameter for graphs of order n and divisor set cardinality t≤k, identifying all extremal graphs and improving the previous upper bound.

Frustrating Quantum Batteries

We propose to use a quantum spin chain as a device to store and release energy coherently and we investigate the interplay between its internal correlations and outside decoherence. We employ the quantum Ising chain in a transverse field and our charging protocol consists of a sudden global quantum quench in the external field to take the system out of equilibrium. Interactions with the environment and decoherence phenomena can dissipate part of the work that the chain can supply after being charged, measured by the ergotropy. We find that overall, the system shows remarkably better performance, in terms of resilience, charging time, and energy storage, when topological frustration is introduced by setting antiferromagnetic interactions with an odd number of sites and periodic boundary conditions. Moreover, we show that in a simple discharging protocol to an external spin, only the frustrated chain can transfer work and not just heat. Published by the American Physical Society 2024

Quantum phase transition between spin liquid and spin nematics in spin-1 Kitaev honeycomb model

Besides the exactly solvable spin-1/2 Kitaev model, higher spin-S ones, not exactly solvable, are promising playgrounds for researches on the quantum spin liquid as well. One of the main interests in higher spin-S cases is the interplay between the Kitaev spin liquid (KSL) and spin nematics. We probe this interplay in a spin-1 model on the honeycomb lattice with competing bilinear-biquadratic and Kitaev interactions. Utilizing the 2D infinite projected entangled-pair state (iPEPS), we map out the phase diagram for the ferro-biquadratic interaction. In the phase diagram, we discover the direct phase transitions between the KSL phases and ferro-quadrupolar ordered spin nematic phase, which we call the FQ phase. It has been revealed that the ferro KSL exhibits robustness against perturbations from ferro-quadrupolar interactions. Also, the FQ phase is extended to the parameter region near the antiferro-Kitaev limit. Published by the American Physical Society 2024