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DOE OSTI2025

Robust quantification of the diamond nitrogen-vacancy center charge state via photoluminescence spectroscopy

Nitrogen vacancy (NV) centers in diamond are at the heart of many emerging quantum technologies, all of which require control over the NV charge state. Hence, methods for quantification of the relative photoluminescence intensities of the NV 0 and NV − charge states, i.e., a charge state ratio, are vital. Several approaches to quantify NV charge state ratios have been reported but are either limited to bulk-like NV diamond samples or yield qualitative results. We propose an NV charge state quantification protocol based on the determination of sample- and experimental setup-specific NV 0 and NV − reference spectra. The approach employs blue (400–470 nm) and green (480–570 nm) excitation to infer pure NV 0 and NV − spectra, which are then used to quantify NV charge state ratios in subsequent experiments via least squares fitting. We test our dual excitation protocol (DEP) for a bulk diamond NV sample and 20 and 100 nm nanodiamond particles and compare results with those obtained via other commonly used techniques such as zero-phonon line fitting and non-negative matrix factorization. We find that DEP can be employed across different samples and experimental setups and yields consistent and quantitative results for NV charge state ratios that are in agreement with our understanding of NV photophysics. By providing robust NV charge state quantification across sample types and measurement platforms, DEP will support the development of NV-based quantum technologies.

Color center laser spectroscopy↗

DOE OSTI2026

High-efficiency, high-fidelity charge initialization of shallow nitrogen-vacancy centers in diamond

Nitrogen-vacancy (N-𝑉) centers in diamond exhibit long spin-coherence times, optical initialization, and optical-spin readout under ambient conditions, making them excellent quantum sensors. However, the conventional scheme for charge-state initialization based on off-resonant green excitation results in significant state-preparation errors, typically around 30%. One method for improving charge-state initialization fidelity is to use multicolor excitation, which has been demonstrated to achieve a near-unity preparation fidelity for bulk N-𝑉 centers by using a few milliseconds of near-infrared (NIR) (5-mW) and green (10-μ⁢W) excitation. The translation of such schemes to N-𝑉 centers near the diamond surface with higher-efficiency optical pumping would enable new applications in nanoscale sensing. Here, we demonstrate a protocol for efficient charge initialization of shallow N-𝑉 centers between 5 nm and 15 nm from the diamond surface. By carefully studying the charge dynamics of shallow N-𝑉 centers, we identify a region of parameter space that allows for near-unity (95%) charge initialization within 300 μ⁢s of NIR (905-nm, 1-mW) and green (520-nm, 10-μ⁢W) excitation. The time to 90% charge initialization can be as fast as 10 μ⁢s for 4 mW of NIR and 39 μ⁢W of green illumination. This fast, efficient charge initialization protocol will especially benefit nanoscale sensing applications in which state-preparation errors currently prohibit scaling, such as measuring higher-order multipoint correlators.

infrared techniques↗

DOE OSTI2026

Creation of depth-confined, shallow nitrogen-vacancy centers in diamond with tunable density

Engineering shallow nitrogen-vacancy (NV) centers in diamond holds the key to unlocking new advances in nanoscale quantum sensing. We find that the creation of near-surface NVs through delta doping during diamond growth allows for tunable control over both NV depth confinement (with a twofold improvement relative to low-energy ion implantation) and NV density, ultimately resulting in highly sensitive single defects and ensembles with coherence limited by NV–NV interactions. Additionally, we demonstrate the utility of our shallow delta-doped NVs by imaging magnetism in few-layer CrSBr, a two-dimensional magnet. Here, we anticipate that the control afforded by near-surface delta doping will enable new developments in NV quantum sensing from nanoscale nuclear magnetic resonance to entanglement-enhanced metrology.

Chemical vapor deposition↗

DOE OSTI2025

Quantum Sensing in Micro-Architected Scaffolds

Quantum sensing with nitrogen-vacancy centers in diamond has emerged as a powerful tool for measuring diverse physical parameters, yet the versatility of these measurement approaches is often limited by the achievable layout and dimensionality of bulk-crystal platforms. Here, in this study, we demonstrate a versatile approach to creating designer quantum sensors by surface-functionalizing multiphoton lithography microstructures with NV-containing nanodiamonds. We showcase this capability by fabricating a 150 μm × 150 μm × 150 μm triply periodic minimal surface gyroid structure with millions of attached nanodiamonds. We demonstrate a means to volumetrically image these structures using a refractive index matching confocal imaging technique and extract ODMR spectra from 1.86 μm × 1.86 μm areas of highly concentrated nanodiamonds across a cross-section of the gyroid. Furthermore, the high density of sensing elements enables ensemble temperature measurements with a sensitivity of 0.548 ± 0.084 K/√Hz at 5 mW excitation power. This approach to creating quantum-enabled microarchitectures opens new possibilities for multimodal sensing in complex three-dimensional environments.

Materials science↗

DOE OSTI2025

High sensitivity pressure and temperature quantum sensing in pentacene-doped p-terphenyl single crystals

Quantum sensors’ responsiveness to their physical environment enables detection of variables such as temperature (T), pressure (P), and strain. We present a molecular platform for PT sensing using para-terphenyl crystals doped with pentacene (PDP), leveraging optically detected magnetic resonance (ODMR) of photoexcited triplet electron spins. We observe maximal frequency variations of df/dP=1.8 MHz/bar from 0-8 bar and df/dT=247 kHz/K from 79–330 K, over 1200 times and threefold greater, respectively, than those seen with nitrogen-vacancy centers in diamond and > 85-fold greater pressure sensitivity over the previous record. Density functional theory calculations indicate picometer-level PT-induced molecular orbital shifts are measurable via ODMR. PDP offers additional advantages including high sensor doping levels, narrow ODMR linewidths, high contrast, and low-cost single crystal growth. Overall, this work reports low-cost, optically-interrogated PT sensors and lays the foundation for increased versatility of quantum sensors through synthetic molecular design.

Magnetic properties and materials↗

DOE OSTI2025

First-Principles Framework for the Prediction of Intersystem Crossing Rates in Spin Defects: The Role of Electron Correlation

Optically active spin defects in solids are promising platforms for quantum technologies. In this work, we present a first-principles framework to investigate intersystem crossing processes, which represent crucial steps in the optical spin-polarization cycle used to address spin defects. Considering the nitrogen-vacancy center in diamond as a case study, we demonstrate that our framework effectively captures electron correlation effects in the calculation of many-body electronic states and their spin-orbit coupling and electron-phonon interactions, while systematically addressing finite-size effects. We validate our predictions by carrying out measurements of fluorescence lifetimes, finding excellent agreement between theory and experiments. The framework presented here provides a versatile and robust tool for exploring the optical cycle of varied spin defects entirely from first principles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Engineering diamond interfaces free of dark spins

Nitrogen-vacancy (NV) centers in diamond are utilized extensively as quantum sensors for imaging fields at the nanoscale. The ultrahigh sensitivity of NV magnetometers has enabled the detection and spectroscopy of individual electron spins, with potentially far-reaching applications in condensed matter physics, spintronics, and molecular biology. However, the surfaces of these diamond sensors naturally contain electron spins, which create a background signal that can be hard to differentiate from the signal of the target spins. In this study, we develop a surface modification approach that eliminates the unwanted signal of these so-called dark electron spins. Our surface passivation technique, based on coating diamond surfaces with a thin titanium oxide (Ti⁢O 2 ) layer, reduces the dark spin density. The observed reduction in dark spin density aligns with our findings on the electronic structure of the diamond-Ti⁢O 2 interface. The reduction, from a typical value of 2000 μm −2 to a value below that set by the detection limit of our NV sensors (200 μm −2 ), results in a twofold increase in Hahn-echo coherence time of near surface NV centers. Furthermore, we derive a comprehensive spin model that connects dark spin relaxation with NV coherence, providing additional insights into the mechanisms behind the observed spin dynamics. Our findings are directly transferable to other quantum platforms, including nanoscale solid-state qubits and superconducting qubits.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2026

Plasma-assisted atomic layer etching of single-crystal diamond

Applications of near-surface nitrogen-vacancy (NV) centers in diamond are often limited by surface defects created during processing. Understanding and controlling plasma-induced surface damage is important for preserving the optical and spin properties of diamond NV centers. We report molecular dynamics simulations of a novel form of plasma-aided atomic layer etching of diamond. In this proposed scheme, the initial surface modification step consists of Ar + ion bombardment. This creates an amorphous layer at the surface, the thickness of which is controlled by the ion energy. Amorphization is known to help smooth the surface, at least locally, and would also serve to sputter clean an initially contaminated surface. A second step impacts the amorphous carbon layer with O + between about 1 and 5 eV. Simulations show that this energy range will remove the amorphous carbon but will not etch the underlying diamond. Though this energy range is not trivial to achieve in a conventional low-temperature plasma, potential methods for creating these low-energy O + ions are discussed. In addition to a-C etching, the O + impacts are predicted to remove any isolated (100) diamond terraces by selectively attacking the edges of the terraces. The proposed atomic layer etching (ALE) approach reverses the conventional ALE sequence in which the surface modification step is usually chemical modification (oxidation in this case), followed by a removal step using Ar + impacts. This plasma ALE procedure is predicted to create a diamond surface that is atomically flat and defect free.

Draney, J. S. [Princeton University, NJ (United St↗

DOE OSTI2026

Microwave-photonic control of optically accessible spin defects in diamond

A growing variety of optically accessible spin qubits have emerged in recent years as key components for quantum sensors, computers, and memories. However, the scalability of conventional spin-based quantum architectures remains limited by direct microwave delivery, which introduces thermal noise, electromagnetic crosstalk, and design constraints for cryogenic, high-field, and distributed systems. In this work, we present a unified framework for RF-over-fiber (RFoF) control of spins accessible through optically detected magnetic resonance (ODMR) spectroscopy of nitrogen-vacancy (NV) centers in diamond. The RFoF platform relies on an intensity-modulated 1310 nm laser carrying microwave signals over fiber and a high-speed photodiode for optical-to-electrical conversion to drive NV spin transitions. We report an RFoF power-conversion efficiency of 3.42% for an RF output PRF,out=-5.5 dBm at 2.87 GHz, enabling clear resolution of Zeeman splitting in

Rahman, M Reefaz [ORNL] (ORCID:0000000323541611)↗

DOE OSTI2026

Atomic-scale imaging and charge state manipulation of NV centers by scanning tunneling microscopy

Nitrogen-vacancy (NV) centers in diamond are among the most promising solid-state qubit candidates, owing to their exceptionally long spin coherence times, efficient spin-photon coupling, room-temperature operation, and steadily advancing fabrication and integration techniques. Despite significant progress in the field, atomic-scale characterization and control of individual NV centers have remained elusive. In this work, we utilize a conductive graphene capping layer to enable direct imaging and manipulation of NV - defects via scanning tunneling microscopy (STM). By investigating over 40 individual NV - centers, we identify their spectroscopic signatures and spatial configurations. Our dI/dV conductance spectra reveal the ground state resonance approximately 300 meV below the Fermi level and density-of-states maps uncover a two-lobed wavefunction aligned along the [111] crystallographic direction. Remarkably, we demonstrate the ability to manipulate the charge state of the NV centers from NV - to NV 0 through STM tip-induced gating. This work represents a significant advance in the atomic-scale imaging, spectroscopic characterization, and charge-state manipulation of NV centers, potentially paving the way for future quantum device development.

Raghavan, Arjun [Univ. of Illinois at Urbana-Champ↗

DOE OSTI2026

Probing boron vacancy defects in hBN via single spin relaxometry

Spin defects in solids offer promising platforms for quantum sensing and memory due to their long coherence times and optical addressability. Here, we integrate a single nitrogen-vacancy (NV) center in diamond with scanning probe microscopy to detect, read out, and spatially map spin-based quantum sensors at the nanoscale. Using the boron vacancy ($V$$^{–}_{B}$) center in hexagonal boron nitride—an emerging two-dimensional spin system—as a model, we detect its electron spin resonance indirectly via changes in the spin relaxation time (T 1 ) of a nearby NV center, eliminating the need for optical excitation or fluorescence detection of the $V$$^{–}_{B}$. Cross-relaxation between NV and $V$$^{–}_{B}$ ensembles significantly reduces NV T1, enabling quantitative nanoscale mapping of defect densities beyond the optical diffraction limit and clear resolution of hyperfine splitting in isotopically enriched h 10 B 15 N. Our method demonstrates interactions between spin sensors in 3D and 2D materials, establishing NV centers as versatile probes for characterizing otherwise inaccessible spin defects.

Quantum metrology↗

DOE OSTI2026

Towards dislocation-driven quantum interconnects

A central problem in the deployment of quantum technologies is the realization of robust architectures for quantum interconnects. We propose to engineer interconnects in semiconductors and insulators by patterning spin qubits at dislocations, thus forming quasi one-dimensional lines of entangled point defects. To gain insight into the feasibility and control of dislocation-driven interconnects, we investigate the optical cycle and coherence properties of nitrogen-vacancy (NV) centers in diamond, in proximity of dislocations, using a combination of advanced first-principles calculations. We show that one can engineer spin defects with properties similar to those of their bulk counterparts, including charge stability and a favorable optical cycle, and that NV centers close to dislocations have much improved coherence properties. Finally, we predict optically detected magnetic resonance spectra that may facilitate the experimental identification of specific defect configurations. Our results provide a theoretical foundation for the engineering of one-dimensional arrays of spin defects in the solid state.

Materials science↗

DOE OSTI2026

Dressed-State Hamiltonian Engineering in a Strongly Interacting Solid-State Spin Ensemble

In quantum science applications, ranging from many-body physics to quantum metrology, dipolar interactions in spin ensembles are often controlled via Floquet engineering. However, this technique typically reduces the interaction strength between spins and effectively weakens the coupling to a target sensing field, limiting the metrological sensitivity. In this Letter, we develop and demonstrate an alternative method that directly tunes the native dipolar interaction in an ensemble of nitrogen-vacancy (NV) centers in diamond, thereby overcoming these limitations inherent to Floquet engineering. Our approach utilizes dressed-state qubit encoding under a bias magnetic field applied perpendicular to the crystal lattice orientation. This method leads to a 3.2× enhancement of the dimensionless coherence parameter JT 2 compared to state-of-the-art Floquet engineering and a 2.6× (8.3 dB) enhanced sensitivity in ac magnetometry. Furthermore, our results provide a powerful Hamiltonian engineering tool for future studies with NV ensembles and other interacting higher-spin (S > $\frac{1}{2}$) systems.

Quantum control↗

DOE OSTI2025

All-optical photoluminescence response of nitrogen-vacancy ensembles in diamond at low magnetic fields

All-optical (AO) microwave-free magnetometry using nitrogen-vacancy (N-𝑉) centers in diamond is attractive due to its broad applicability and reduced experimental complexity. In this work, we investigate room-temperature AO photoluminescence (PL) at low magnetic fields ( <2 mT) using diamonds with N-𝑉 ensembles at parts-per-million (ppm) concentrations. The measured AO-PL contrast features as a function of the applied magnetic field magnitude and direction are correlated with near-degenerate N-𝑉 electronic spin and hyperfine transitions from different N-𝑉 orientations within the diamond host. Reasonable agreement is found between low-field AO-PL measurements and model-based simulations of the effects of resonant dipolar interactions between N-𝑉 centers. The maximum observed AO-PL contrast depends on both the N-𝑉 concentration and the laser-illumination intensity at 532 nm. These results imply different optimal conditions for low-field AO N-𝑉 sensing compared to conventional optically detected magnetic resonance (ODMR) techniques, suggesting new research and application opportunities using AO measurements with lower system complexity, size, weight, and power.

Dipolar interaction↗

DOE OSTI2026

Magic Diamond: Covalent Bond Formation of Melamine and Other Amines on Nanodiamond Surfaces

High-temperature, high-pressure (HPHT) nanodiamond (ND) hosts nitrogen-vacancy (NV) centers, solid-state qubits that enable room-temperature quantum sensing by all-optical magnetometry, electrometry, and thermometry. However, the covalent surface functionalization of nanoscale diamond remains largely limited to carboxylate-based chemistries. Amine termination is particularly attractive because theoretical studies predict suppression of midgap states and extended electron-spin coherence times. Recently, chemical activation of alcohol-terminated NDs to alkyl bromides (ND-Br) using SOBr2 has enabled nucleophilic substitution through a carbocation intermediate, allowing formation of simple amine terminations. Here, we evaluate whether sterically demanding amines can form covalent diamond−nitrogen bonds on ND-Br surfaces. ND-Br was reacted with branched, linear, and cyclic amines, including polyethylenimine, diethylenetriamine, and melamine. X-ray spectroscopies were used to confirm successful and to probe the resulting electronic structure at the diamond−amine interface. These results expand the chemical toolbox for tuning diamond surface dipoles and electron affinity, providing new pathways for engineering nanodiamond surfaces for quantum sensing and photocatalysis applications.

Amines↗

DOE OSTI2026

Probing Cellular Activity Via Charge‐Sensitive Quantum Nanoprobes

Nitrogen‐vacancy (NV) based quantum sensors hold great potential for real‐time single‐cell sensing with far‐reaching applications in fundamental biology and medical diagnostics. Although highly sensitive, the mapping of quantum measurements onto cellular physiological states has remained an exceptional challenge. Here, we introduce a novel quantum sensing modality capable of detecting changes in cellular activity. Our approach is based on the detection of environment‐induced charge depletion within an individual particle that, owing to a previously unaccounted transverse dipole term, induces systematic shifts in the zero‐field splitting (ZFS). Importantly, these charge‐induced shifts serve as a reliable indicator for lipopolysaccharide (LPS)‐mediated inflammatory response in macrophages. Furthermore, we demonstrate that surface modification of our diamond nanoprobes effectively suppresses these environment‐induced ZFS shifts, providing an important tool for differentiating electrostatic shifts caused by the environment from other unrelated effects, such as temperature variations. Notably, this surface modification also leads to significant reductions in particle‐induced toxicity and inflammation. Our findings shed light on systematic drifts and sensitivity limits of NV spectroscopy in a biological environment with ramifications for the critical discussion surrounding single‐cell thermogenesis. Notably, this work establishes the foundation for a novel sensing modality capable of probing complex cellular processes through straightforward physical measurements.

band bending↗

DOE OSTI2025

Detecting rare earth elements via optically detected magnetic resonance (ODMR) and spin-relaxometry using nitrogen vacancy centers in nanodiamonds

Nanodiamonds embedded with nitrogen-vacancy (NV) centers are emerging as powerful tools in quantum sensing due to their remarkable sensitivity to local variations in electromagnetic fields, temperature, and pressure. These point defects in the diamond lattice can be probed using optically detected magnetic resonance (ODMR) and spin relaxometry techniques, allowing for the detection and characterization of magnetic nanoparticles and ions. The sensing mechanism relies on laser-induced excitation of the NV center's non-degenerate triplet ground state, which promotes electrons to an excited state. Subsequent photoluminescence (PL) emission, which is spin-state dependent, is then measured. These spin states are highly responsive to magnetic perturbations in the surrounding environment. By analyzing changes in the ODMR spectra and spin relaxation times, we can effectively monitor how magnetic species influence the NV center's spin dynamics, thus enabling sensitive and selective characterization of nanoscale magnetic materials. These techniques have been applied for the characterization of transition metals and rare earth elements which shows natural ferromagnetic properties.

magnetic nanopartgicles and ions↗

DOE OSTI2026

The properties of the nitrogen-vacancy center in milled chemical vapor deposition nanodiamonds

Fluorescent nanodiamonds (FNDs) containing negatively charged nitrogen-vacancy (NV − ) centers are vital for many emerging quantum sensing applications from magnetometry to intracellular sensing in biology. However, developing a scalable fabrication method for FNDs hosting color centers with consistent bulk-like photoluminescence (PL) and spin coherence properties remains a highly desired but unrealized goal. Here, we investigate optimized ball milling of single-crystal diamonds produced via chemical vapor deposition (CVD) and containing 2 ppm of substitutional nitrogen and 0.3 ppm of NV − to achieve this goal. The NV charge state, PL lifetime, and spin properties of bulk CVD diamond samples are directly compared to milled CVD FNDs and commercial high-pressure high-temperature (HPHT) FNDs. We find that on average, the relative contribution of the NV − charge state to the total NV PL is lower and the NV PL lifetime is longer in CVD FNDs compared to HPHT FNDs, both likely due to the lower N s 0 concentration in CVD FNDs. The CVD bulk and CVD FNDs on average show similar average T 1 spin relaxation times of 3.2 ± 0.7 ms and 4.7 ± 1.6 ms, respectively, compared to 0.17 ± 0.01 ms for commercial HPHT FNDs. Our results demonstrate that ball milling of CVD diamonds enables the large-scale fabrication of NV ensembles in FNDs with bulk-like T 1 spin relaxation properties.

chemical vapor deposition↗