Understanding the effects of competing spin-pair dephasing pathways in molecular spins

• URL: http://arxiv.org/abs/2605.03177v1
• Date: Mon, 04 May 2026 21:39:54 GMT
• Title: Understanding the effects of competing spin-pair dephasing pathways in molecular spins
• Abstract summary: Nuclear spin-spin interactions affect electron spin coherence lifetimes through pure dephasing.<n>We analyze the decoherence behavior of two molecular qubit candidates with various solvents.<n>We apply an electronic-structure enhanced, non-Markovian perturbative theoretical method to connect experimentally comparable dephasing times to individual spin pairs.
• Score: 0.0
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: Molecular spins offer promise in emerging quantum technologies such as quantum sensing and computing. At low temperatures, nuclear spin-spin interactions affect electron spin coherence lifetimes through pure dephasing. Nuclear-spin noise can originate from spin pairs within a molecule itself, pairs in a surrounding environment system, or pairs in which one spin is on the molecule and the other in the environment. Improving coherence times requires detailed knowledge of the dominant sources of dephasing. Here, we analyze the decoherence behavior of two molecular qubit candidates with various ligands and in different nuclear-spin containing solvents. We apply an electronic-structure enhanced, non-Markovian perturbative theoretical method to connect experimentally comparable dephasing times to individual spin pairs. This analysis allows the development of a computational workflow to strategically improve coherence lifetimes in spin systems where decoherence is dominated by spin-spin dephasing.

Related papers

• A perturbative non-Markovian treatment to low-temperature spin decoherence [0.0]
  We develop a non-Markovian time-convolutionless master equation to treat an electronic spin coupled to a nuclear-spin bath.<n>By relating ab initio electronic structure parameters directly to the decoherence dynamics, we provide a framework that accounts for pure dephasing in the low-temperature limit.
  arXiv  Detail & Related papers  (2026-01-14T17:35:40Z)
• Spin decoherence in VOPc@graphene nanoribbon complexes [5.691318972818067]
  Carbon nanoribbon or nanographene qubit arrays can facilitate quantum-to-quantum transduction between light, charge, and spin. We study spin decoherence due to coupling with a surrounding nuclear spin bath of an electronic molecular spin of a vanadyl phthalocyanine (VOPc) molecule integrated on an armchair-edged graphene nanoribbon (GNR) We find that the decoherence time $T$ is anisotropic with respect to magnetic field orientation and determined only by nuclear spins on VOPc and GNR.
  arXiv  Detail & Related papers  (2023-07-31T04:55:05Z)
• Spin-orbit torque on nuclear spins exerted by a spin accumulation via hyperfine interactions [49.1574468325115]
  This article demonstrates that the hyperfine coupling, which consists of Fermi contact and dipolar interactions, can mediate the application of spin-orbit torques acting on nuclear spins. The reactions to the equilibrium and nonequilibrium components of the spin density is a torque on the nucleus with field-like and damping-like components. This nuclear spin-orbit torque is a step toward stabilizing and controlling nuclear magnetic momenta, in magnitude and direction, and realizing nuclear spintronics.
  arXiv  Detail & Related papers  (2023-05-21T08:05:23Z)
• Tunable itinerant spin dynamics with polar molecules [2.830197032154302]
  Ising and spin exchange interactions are precisely tuned by varying the strength and orientation of an electric field. Our work establishes an interacting spin platform that allows for exploration of many-body spin dynamics and spin-motion physics.
  arXiv  Detail & Related papers  (2022-08-03T16:57:36Z)
• Relativistic aspects of orbital and magnetic anisotropies in the chemical bonding and structure of lanthanide molecules [60.17174832243075]
  We study the electronic and ro-vibrational states of heavy homonuclear lanthanide Er2 and Tm2 molecules by applying state-of-the-art relativistic methods. We were able to obtain reliable spin-orbit and correlation-induced splittings between the 91 Er2 and 36 Tm2 electronic potentials dissociating to two ground-state atoms.
  arXiv  Detail & Related papers  (2021-07-06T15:34:00Z)
• Demonstration of electron-nuclear decoupling at a spin clock transition [54.088309058031705]
  Clock transitions protect molecular spin qubits from magnetic noise. linear coupling to nuclear degrees of freedom causes a modulation and decay of electronic coherence. An absence of quantum information leakage to the nuclear bath provides opportunities to characterize other decoherence sources.
  arXiv  Detail & Related papers  (2021-06-09T16:23:47Z)
• Anisotropic electron-nuclear interactions in a rotating quantum spin bath [55.41644538483948]
  Spin-bath interactions are strongly anisotropic, and rapid physical rotation has long been used in solid-state nuclear magnetic resonance. We show that the interaction between electron spins of nitrogen-vacancy centers and a bath of $13$C nuclear spins introduces decoherence into the system. Our findings offer new insights into the use of physical rotation for quantum control with implications for quantum systems having motional and rotational degrees of freedom that are not fixed.
  arXiv  Detail & Related papers  (2021-05-16T06:15:00Z)
• Chemical tuning of spin clock transitions in molecular monomers based on nuclear spin-free Ni(II) [52.259804540075514]
  We report the existence of a sizeable quantum tunnelling splitting between the two lowest electronic spin levels of mononuclear Ni complexes. The level anti-crossing, or magnetic clock transition, associated with this gap has been directly monitored by heat capacity experiments. The comparison of these results with those obtained for a Co derivative, for which tunnelling is forbidden by symmetry, shows that the clock transition leads to an effective suppression of intermolecular spin-spin interactions.
  arXiv  Detail & Related papers  (2021-03-04T13:31:40Z)
• Driven dynamics of a quantum dot electron spin coupled to bath of higher-spin nuclei [0.0]
  We study the interplay of optical driving and hyperfine interaction between an electron confined in a quantum dot and its surrounding nuclear spin environment. We find that while hyperfine interactions drive dynamic nuclear polarization and mode-locking, quadrupolar couplings counteract these effects.
  arXiv  Detail & Related papers  (2020-12-14T03:00:18Z)
• The limit of spin lifetime in solid-state electronic spins [77.34726150561087]
  We provide a complete first-principles picture of spin relaxation that includes up to two-phonon processes. We study a vanadium-based molecular qubit and reveal that the spin lifetime at high temperature is limited by Raman processes.
  arXiv  Detail & Related papers  (2020-04-08T14:27:36Z)

This list is automatically generated from the titles and abstracts of the papers in this site.

This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.