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Results for “spin-singlet pairing”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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43 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Singlet fission for quantum information and quantum computing: the parallel JDE model

Abstract Singlet fission is a photoconversion process that generates a doubly excited, maximally spin entangled pair state. This state has applications to quantum information and computing that are only beginning to be realized. In this article, we construct and analyze a spin-exciton hamiltonian to describe the dynamics of the two-triplet state. We find the selection rules that connect the doubly excited, spin-singlet state to the manifold of quintet states and comment on the mechanism and conditions for the transition into formally independent triplets. For adjacent dimers that are oriented and immobilized in an inert host, singlet fission can be strongly state-selective. We make predictions for electron paramagnetic resonance experiments and analyze experimental data from recent literature. Our results give conditions for which magnetic resonance pulses can drive transitions between optically polarized magnetic sublevels of the two-exciton states, making it possible to realize quantum gates at room temperature in these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Study of spin symmetry in the doped t-J model using infinite projected entangled pair states

We study the two-dimensional t-J model on a square lattice using infinite projected entangled pair states (iPEPS). At small doping, multiple orders, such as antiferromagnetic order, stripe order and superconducting order, are intertwined or compete with each other. We demonstrate the role of spin symmetry at small doping by either imposing SU(2) spin symmetry or its U(1) subgroup in the iPEPS ansatz, thereby excluding or allowing spontaneous spin-symmetry breaking, respectively, in the thermodynamic limit. From a detailed comparison of our simulations, we provide evidence that stripe order is pinned by long-range antiferromagnetic order. We also find SU(2) iPEPS, enforcing a spin-singlet state, yields a uniform charge distribution and favors d-wave singlet pairing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Spin-singlet topological superconductivity in the attractive Rashba-Hubbard model

Fully gapped, spin-singlet superconductors with antisymmetric spin-orbit coupling in a Zeeman magnetic field provide a promising route to realize superconducting states with non-Abelian topological order and therefore fault-tolerant quantum computation. Here we use a quantum Monte Carlo dynamical cluster approximation to study the superconducting properties of a doped two-dimensional attractive Hubbard model with Rashba spin-orbit coupling in a Zeeman magnetic field. We generally find that the Rashba coupling has a beneficial effect towards s-wave superconductivity. In the presence of a finite Zeeman field, when superconductivity is suppressed by Pauli pair breaking, the Rashba coupling counteracts the spin imbalance created by the Zeeman field by mixing the spins, and thus restores superconductivity at finite temperatures. Further, we show that this favorable effect of the spin-orbit coupling is traced to a spin-flip driven enhancement of the amplitude for the propagation of a pair of electrons in time-reversed states. Moreover, by inspecting the Fermi surface of the interacting model, we show that for sufficiently large Rashba coupling and Zeeman field, the superconducting state is expected to be topologically nontrivial.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Signatures of enhanced spin-triplet superconductivity induced by interfacial properties

While spin-triplet pairing remains elusive in nature, there is a growing effort to realize proximity-induced equal-spin triplet superconductivity in junctions with magnetic regions or an applied magnetic field and common s-wave superconductors. To enhance such spin-triplet contribution, it is expected that junctions with a weak interfacial barrier and strong spin-orbit coupling are desirable. Intuitively, a weak interfacial barrier enables a robust proximity-induced superconductivity and strong spin-orbit coupling promotes spin mixing, converting spin-singlet into spin-triplet superconductivity. In contrast, we reveal a nonmonotonic spin-triplet contribution with the strength of the interfacial barrier and spin-orbit coupling. This picture is established by considering different signatures in conductance and superconducting correlations, as well as by performing self-consistent calculations. As a result, we identify a strongly enhanced spin-triplet superconductivity, realized for an intermediate strength of interfacial barrier and spin-orbit coupling. In junctions with magnetic regions, an enhanced spin-triplet superconductivity leads to a large magnetoanisotropy of conductance and superconducting correlations. Furthermore, this picture of an enhanced spin-triplet superconductivity is consistent with experiments demonstrating a huge increase in the conductance magnetoanisotropy, which we predict can be further enhanced at a finite bias.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Quarkonium polarization in medium from open quantum systems and chromomagnetic correlators

Here, by considering the Markovian condition and applying the Wigner transformation upon the diagonal spin components of the quarkonium density matrix with the semiclassical expansion, we systematically derive the Boltzmann transport equation for quarkonia with polarization dependence in the quantum optical limit. Unlike the spin-independent collision terms governed by certain chromoelectric field correlators, new gauge invariant correlators of chromomagnetic fields determine the recombination and dissociation terms with polarization dependence at the order we are working. We also derive a Lindblad equation describing the in-medium transitions between spin-singlet and spin-triplet heavy quark-antiquark pairs in the quantum Brownian motion limit. The Lindblad equation is governed by new transport coefficients defined in terms of the chromomagnetic field correlators. Our formalism is generic and valid for both weakly coupled and strongly coupled quark gluon plasmas. It can be further applied to study spin alignment of vector quarkonia in heavy ion collisions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Stabilizing Fluctuating Spin-Triplet Superconductivity in Graphene via Induced Spin-Orbit Coupling

A recent experiment showed that a proximity-induced Ising spin-orbit coupling enhances the spin-triplet superconductivity in Bernal bilayer graphene. Here, in this work, we show that, due to the nearly perfect spin rotation symmetry of graphene, the fluctuations of the spin orientation of the triplet order parameter suppress the superconducting transition to nearly zero temperature. Our analysis shows that both an Ising spin-orbit coupling and an in-plane magnetic field can eliminate these low-lying fluctuations and can greatly enhance the transition temperature, consistent with the recent experiment. Our model also suggests the possible existence of a phase at small anisotropy and magnetic field which exhibits quasilong-range ordered spin-singlet charge 4⁢e superconductivity, even while the triplet 2⁢e superconducting order only exhibits short-ranged correlations. Finally, we discuss relevant experimental signatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Intermolecular vibrations mediate ultrafast singlet fission

Singlet fission is a spin-allowed exciton multiplication process in organic semiconductors that converts one spin-singlet exciton to two triplet excitons. It offers the potential to enhance solar energy conversion by circumventing the Shockley-Queisser limit on efficiency. We study the primary steps of singlet fission in a pentacene film by using a combination of TG and 2D electronic spectroscopy complemented by quantum chemical and nonadiabatic dynamics calculations. We show that the coherent vibrational dynamics induces the ultrafast transition from the singlet excited electronic state to the triplet-pair state via a degeneracy of potential energy surfaces, i.e., a multidimensional conical intersection. Significant vibronic coupling of the electronic wave packet to a few key intermolecular rocking modes in the low-frequency region connect the excited singlet and triplet-pair states. Along with high-frequency local vibrations acting as tuning modes, they open a new channel for the ultrafast exciton transfer through the resulting conical intersection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗