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NMR-active nuclei have energy levels called 'spin states' that are associated with the orientations of their nuclear magnetic moments. In the absence of a magnetic field, the nuclear magnetic moments are randomly oriented, and the spin states are degenerate. When an external magnetic field is applied, the spin states have only 2 + 1 orientations available to them. A proton with = ½ has two available orientations. Similarly, for a quadrupolar nucleus with a nuclear spin value of...
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All atomic particles possess an intrinsic angular momentum, or 'spin'. Electrons, protons, and neutrons each have a spin value of ½, although protons and neutrons in nuclei may have higher half-integer spins owing to energetic factors.
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In the absence of an external magnetic field, nuclear spin states are degenerate and randomly oriented. When a magnetic field is applied, the spins begin to precess and orient themselves along (lower energy) or against (higher energy) the direction of the field. At equilibrium, a slight excess population of spins exists in the lower energy state. Because the direction of the magnetic field is fixed as the z-axis,  the precessing magnetic moments are randomly oriented around the z-axis.
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Atomic Nuclei: Nuclear Spin State Population Distribution01:14

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Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
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The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening bonds and affects the electronic environments of NMR-active nuclei up to three bonds away; occasionally, even farther. This phenomenon is called spin–spin coupling or J-coupling. Coupling interactions are mutual and result in small changes in the absorption frequencies of both nuclei involved. While nuclei of the same element are involved...
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Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
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Researchers created and identified single spin defects in hexagonal boron nitride (hBN). This breakthrough enables atomic-scale nuclear magnetic resonance (NMR) and quantum sensing with enhanced control at room temperature.

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Area of Science:

  • Quantum Information Science
  • Materials Science
  • Solid-State Physics

Background:

  • Optically active spin defects in solids are crucial for quantum sensing and networking.
  • Single spin defects have been identified in hexagonal boron nitride (hBN), a 2D material ideal for atomic-scale quantum sensing.
  • The chemical structures of hBN spin defects and their interaction with nuclear spins remain largely unknown.

Purpose of the Study:

  • To create and characterize single spin defects in hBN.
  • To identify the chemical structures of these defects.
  • To demonstrate atomic-scale nuclear magnetic resonance (NMR) and coherent control of nuclear spins using hBN spin defects.

Main Methods:

  • Creation of single spin defects in hBN via 13C ion implantation.
  • Characterization of defect types using hyperfine interactions.
  • Density Functional Theory (DFT) calculations to propose defect structures.

Main Results:

  • Identification of three distinct hBN spin defect types.
  • Observation of both S=1/2 and S=1 spin states within a single defect.
  • Demonstration of atomic-scale NMR and coherent control of individual nuclear spins with high fidelity (up to 99.75%) at room temperature.

Conclusions:

  • Proposed chemical structures for hBN spin defects based on experimental and theoretical analysis.
  • Advancement in understanding single spin defects in hBN.
  • Establishment of a pathway for enhanced quantum sensing using hBN spin defects coupled with nuclear spins as quantum memories.