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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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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

ac Sensing Using Nitrogen-Vacancy Centers in a Diamond Anvil Cell up to 6 GPa

Nitrogen-vacancy color centers in diamond have attracted broad attention as quantum sensors for both static and dynamic magnetic, electrical, strain, and thermal fields and are particularly attractive for quantum sensing under pressure in diamond anvil cells. Optically based nuclear magnetic resonance may be possible at pressures greater than a few gigapascals and offers an attractive alternative to conventional Faraday-induction-based detection. In this work, we present ac sensing results and demonstrate synchronized readout up to 6 GPa but find that the sensitivity is reduced due to inhomogeneities of the microwave field and pressure within the sample space. These experiments enable the possibility of all-optical high resolution magnetic resonance of nanoliter sample volumes at high pressures.

58 GEOSCIENCES↗
DOE OSTI2023

Temperature-Dependent Spin-Lattice Relaxation of the Nitrogen-Vacancy Spin Triplet in Diamond

Spin-lattice relaxation within the nitrogen-vacancy (NV) center’s electronic ground-state spin triplet limits its coherence times, and thereby impacts its performance in quantum applications. We report measurements of the relaxation rates on the NV center’s $|m_s = 0 \rangle ↔ |m_s = ± 1 \rangle$ and $|m_s = -1 \rangle ↔ |m_s = + 1\rangle$ transitions as a function of temperature from 9 to 474 K in high-purity samples. We show that the temperature dependencies of the rates are reproduced by an ab initio theory of Raman scattering due to second-order spin-phonon interactions, and we discuss the applicability of the theory to other spin systems. Using a novel analytical model based on these results, we suggest that the high-temperature behavior of NV spin-lattice relaxation is dominated by interactions with two groups of quasilocalized phonons centered at 68.2(17) and 167(12) meV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Nitrogen Vacancy Center in Diamond for the Stress and Field Sensing Applications

The nitrogen-vacancy (NV) center in a nanodiamond (ND) crystal is a promising material for quantum information processing, sensing, and computing applications. It is one of the best candidate materials for quantum sensing and metrology expected to work at elevated temperatures and pressures conditions. We computationally show the effect of strain on the defect band edges and band gaps in the NV center diamond. A low energy Hamiltonian is developed for the ±1 spin manifold at the ground state. We show the quantum sensing device is a few orders of magnitude superior in sensing than the traditional optical sensing devices. We also discuss experimental results from the optically detected magnetic resonance (ODMR) and the spin relaxometry for the field sensing applications. The presentation concludes by providing a model for free spins detection of the rare earth ions.

field sensing applications↗
DOE OSTI2023

Physically motivated analytical expression for the temperature dependence of the zero-field splitting of the nitrogen-vacancy center in diamond

The temperature dependence of the zero-field splitting (ZFS) between the | $m_s$ = 0 $\rangle$ and | $m_s$ = ±1 $\rangle$ levels of the nitrogen-vacancy (NV) center's electronic ground-state spin triplet can be used as a robust nanoscale thermometer in a broad range of environments. However, despite numerous measurements of this dependence in different temperature ranges, to our knowledge no analytical expression has been put forward that captures the scaling of the ZFS of the NV center across all relevant temperatures. Here we present a simple, analytical, and physically motivated expression for the temperature dependence of the NV center's ZFS that matches all experimental observations, in which the ZFS shifts in proportion to the occupation numbers of two representative phonon modes. In contrast to prior models our expression does not diverge outside the regions of fitting. In conclusion, we show that our model quantitatively matches experimental measurements of the ZFS from 15 to 500 K in single NV centers in ultrapure bulk diamond, and we compare our model and measurements to prior models and experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Stroboscopic x-ray diffraction microscopy of dynamic strain in diamond thin-film bulk acoustic resonators for quantum control of nitrogen-vacancy centers

Bulk-mode acoustic waves in a crystalline material exert lattice strain through the thickness of the sample, which couples to the spin Hamiltonian of defect-based qubits such as the nitrogen-vacancy (N-V) center defect in diamond. This mechanism has previously been harnessed for unconventional quantum spin control, spin decoherence protection, and quantum sensing. Bulk-mode acoustic wave devices are also important in the microelectronics industry as microwave filters. A key challenge in both applications is a lack of appropriate operando microscopy tools for quantifying and visualizing gigahertz-frequency dynamic strain. Here, in this work, we directly image acoustic strain within N-V center-coupled diamond thin-film bulk acoustic wave resonators using stroboscopic scanning hard x-ray diffraction microscopy at the Advanced Photon Source. The far-field scattering patterns of the nanofocused x-ray diffraction encode strain information entirely through the illuminated thickness of the resonator. These patterns have a real-space spatial variation that is consistent with the bulk strain’s expected modal distribution and a momentum-space angular variation from which the strain amplitude can be quantitatively deduced. We also perform optical measurements of strain-driven Rabi precession of of the N-V center spin ensemble, providing an additional quantitative measurement of the strain amplitude. As a result, we directly measure one of the six N-V spin-stress coupling parameters, 𝑏 =2.73⁢(2) MHz/GPa, by correlating these measurements at the same spatial position and applied microwave power. Our results demonstrate a unique technique for directly imaging ac lattice strain in micromechanical structures and provide a direct measurement of a fundamental constant for the N-V center defect spin Hamiltonian.

acoustic techniques↗
DOE OSTI2026

High Pressure Synthesis of Ultrasmall Nanodiamonds with Nitrogen Vacancy Centers

C–H terminated nanometer scale diamonds ( d = 1 to 15 nm) are synthesized from 1-fluoroadamantane at high pressure (6–8 GPa) and high temperature (500–1500 °C) in a multianvil press. High resolution transmission electron microscopy, X-ray diffraction, Raman, diffuse reflectance Fourier transform infrared, and X-ray absorption spectroscopies demonstrate the excellent crystallinity and atomically flat C–H terminated surfaces of nanodiamonds with (111) and (110) facets. The importance of hydrogen to the synthesis of nanodiamond and its faceting is discussed. Following vacancy generation, annealing and oxidation of the nanodiamonds, optically detected magnetic resonance and electron spin resonance coherence times ( T 2 = 0.9 and 2.1 μs) of nitrogen vacancy (NV) centers are measured. Finally, the obtained T 2 values are equivalent to the shallow NV centers (depth <10 nm) in bulk diamond crystals and larger nanocrystals prepared by mechanical milling.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Local Excitations of a Charged Nitrogen Vacancy in Diamond with Multireference Density Matrix Embedding Theory

Here, we investigate the negatively charged nitrogen-vacancy center in diamond using periodic density matrix embedding theory (pDMET). To describe the strongly correlated excited states of this system, the complete active space self-consistent field (CASSCF) followed by n-electron valence state second-order perturbation theory (NEVPT2) was used as the impurity solver. Since the NEVPT2-DMET energies show a linear dependence on the inverse of the size of the embedding subspace, we performed an extrapolation of the excitation energies to the nonembedding limit using a linear regression. The extrapolated NEVPT2-DMET first triplet–triplet excitation energy is 2.31 eV and that for the optically inactive singlet–singlet transition is 1.02 eV, both in agreement with the experimentally observed vertical excitation energies of ∼2.18 eV and ∼1.26 eV, respectively. This is the first application of pDMET to a charged periodic system and the first investigation of the NV – defect using NEVPT2 for periodic supercell models.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Magnetometry in a diamond anvil cell using nitrogen vacancy centers in a nanodiamond ensemble

The emerging field of optical magnetometry utilizing negative-charged nitrogen vacancy (NV – ) centers provides a highly sensitive lab bench technique for spatially resolved physical property measurements. Their implementation in high pressure diamond anvil cell (DAC) environments will become common as other techniques are often limited due to the spatial constraints of the sample chamber. Apparatus and techniques are described here permitting for more general use of magnetic field measurements inside a DAC using continuous wave optical detected magnetic resonance in NV – centers in a layer of nanodiamonds. A microstrip antenna delivers a uniform microwave field to the DAC and is compatible with simple metal gaskets, and the sensor layer of deposited nanodiamonds allows for simple determination of the magnetic field magnitude for B in the 1–100 G range. The ferromagnetic transition in iron at 18 GPa is measured with the apparatus, along with its hysteretic response.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Production of High Yield, Ultra‐Shallow Nitrogen‐Vacancy Centre Ensembles Through High Purity Forming gas Annealing

Dense, ultra‐shallow (<10 nm from the surface) ensembles of nitrogen‐vacancy (NV) centers in diamond are sought‐after for realising practical quantum sensing at the nanoscale. However, these ensembles typically suffer from reduced NV creation efficiency and spin coherence compared to their deeper and bulk counterparts. Consequently, most demonstrations in the literature to date have been restricted to using single NV centers with atypical coherence and charge stability properties not achievable across entire ensembles. Here, in this work, we demonstrate that controlled annealing in a high purity forming gas atmosphere improves near‐surface NV formation efficiency to over 20%. This environment preserves a high quality hydrogen termination throughout the anneal, avoiding material etching over many hours at temperatures up to 1100°C and possibly helping to suppress vacancy out‐diffusion. We show that high temperature annealing is especially vital for improving spin properties in high density, ultra‐shallow implanted samples due to the localised damage profiles produced. By allowing the formation of high yield NV ensembles with improved spin properties, the optimised forming gas anneal can facilitate the reliable production of more sensitive diamond sensors than have previously been accessible.

Healey, Alexander J. [Royal Melbourne Institute of↗
DOE OSTI2024

Sensing at the Nanoscale Using Nitrogen-Vacancy Centers in Diamond: A Model for a Quantum Pressure Sensor

The sensing of stress under harsh environmental conditions with high resolution has critical importance for a range of applications including earth’s subsurface scanning, geological CO2 storage monitoring, and mineral and resource recovery. Using a first-principles density functional theory (DFT) approach combined with the theoretical modelling of the low-energy Hamiltonian, here, we investigate a novel approach to detect unprecedented levels of pressure by taking advantage of the solid-state electronic spin of nitrogen-vacancy (NV) centers in diamond. We computationally explore the effect of strain on the defect band edges and band gaps by varying the lattice parameters of a diamond supercell hosting a single NV center. A low-energy Hamiltonian is developed that includes the effect of stress on the energy level of a ±1 spin manifold at the ground state. By quantifying the energy level shift and split, we predict pressure sensing of up to 0.3 MPa/Hz using the experimentally measured spin dephasing time. We show the superiority of the quantum sensing approach over traditional optical sensing techniques by discussing our results from DFT and theoretical modelling for the frequency shift per unit pressure. Importantly, we propose a quantum manometer that could be useful to measure earth’s subsurface vibrations as well as for pressure detection and monitoring in high-temperature superconductivity studies and in material sciences. Our results open avenues for the development of a sensing technology with high sensitivity and resolution under extreme pressure limits that potentially has a wider applicability than the existing pressure sensing technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electric current paths in a Si:P delta-doped device imaged by nitrogen-vacancy diamond magnetic microscopy

The recently-developed ability to control phosphorous-doping of silicon at an atomic level using scanning tunneling microscopy, a technique known as atomic precision advanced manufacturing (APAM), has allowed us to tailor electronic devices with atomic precision, and thus has emerged as a way to explore new possibilities in Si electronics. In these applications, critical questions include where current flow is actually occurring in or near APAM structures as well as whether leakage currents are present. In general, detection and mapping of current flow in APAM structures are valuable diagnostic tools to obtain reliable devices in digital-enhanced applications. In this report, we used nitrogen-vacancy (NV) centers in diamond for wide-field magnetic imaging (with a few-mm field of view and micron-scale resolution) of magnetic fields from surface currents flowing in an APAM test device made of a P delta-doped layer on a Si substrate, a standard APAM witness material. We integrated a diamond having a surface NV ensemble with the device (patterned in two parallel mm-sized ribbons), then mapped the magnetic field from the DC current injected in the APAM device in a home-built NV wide-field microscope. The 2D magnetic field maps were used to reconstruct the surface current densities, allowing us to obtain information on current paths, device failures such as choke points where current flow is impeded, and current leakages outside the APAM-defined P-doped regions. Analysis on the current density reconstructed map showed a projected sensitivity of ~0.03 A m -1 , corresponding to a smallest-detectable current in the 200 μm wide APAM ribbon of ~6 μA. These results demonstrate the failure analysis capability of NV wide-field magnetometry for APAM materials, opening the possibility to investigate other cutting-edge microelectronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Recovery from plasma etching-induced nitrogen vacancies in p-type gallium nitride using UV/O 3 treatments

Plasma etching of p-type GaN creates n-type nitrogen vacancy (V N ) defects at the etched surface, which can be detrimental to device performance. In mesa isolated diodes, etch damage on the sidewalls degrades the ideality factor and leakage current. Here a treatment was developed to recover both the ideality factor and leakage current, which uses UV/O 3 treatment to oxidize the damaged layers followed by HF etching to remove them. The temperature dependent I–V measurement shows that the reverse leakage transport mechanism is dominated by Poole–Frenkel emission at room temperature through the etch-induced V N defect. Depth resolved cathodoluminescence confirms that the damage is limited to first several nanometers and is consistent with the V N defect.

42 ENGINEERING↗
DOE OSTI2021

Theoretical and experimental study of the nitrogen-vacancy center in 4H-SiC.

Using first-principles calculations and magnetic resonance experiments, we investigated the physical properties of the negatively charged nitrogen-vacancy (NV) center in 4H-SiC, a promising spin qubit. Our predictive theoretical model in conjunction with experimental measurements reveals a large sensitivity to strain and symmetry. The measured and computed zero-phonon lines (ZPLs) are in agreement and show a consistent trend as a function of the defect location in the crystal. The computed ZPLs are extremely sensitive to the geometrical configurations of the ground and excited states, and large supercells with more than 2 000 atoms are required to obtain accurate numerical results. We find that the computed decoherence time of the basal NV centers at zero magnetic field is substantially larger than that of the axial configurations. Furthermore, at natural nuclear spin abundance and zero field, the Hahn-echo coherence time of one of the basal configurations is similar to that of the axial divacancy in isotopically purified SiC.

Zhu, Yizhi↗
DOE OSTI2020

Adjoint-optimized nanoscale light extractor for nitrogen-vacancy centers in diamond

Abstract We designed a nanoscale light extractor (NLE) for the efficient outcoupling and beaming of broadband light emitted by shallow, negatively charged nitrogen-vacancy (NV) centers in bulk diamond. The NLE consists of a patterned silicon layer on diamond and requires no etching of the diamond surface. Our design process is based on adjoint optimization using broadband time-domain simulations and yields structures that are inherently robust to positioning and fabrication errors. Our NLE functions like a transmission antenna for the NV center, enhancing the optical power extracted from an NV center positioned 10 nm below the diamond surface by a factor of more than 35, and beaming the light into a ±30° cone in the far field. This approach to light extraction can be readily adapted to other solid-state color centers.

42 ENGINEERING↗
DOE OSTI2025

Light dark matter search with nitrogen-vacancy centers in diamonds

We propose an approach to directly search for light dark matter, such as the axion or the dark photon, by using magnetometry with nitrogen-vacancy centers in diamonds. If the dark matter couples to the electron spin, it affects the evolution of the Bloch vectors consisting of the spin triplet states, which may be detected through several magnetometry techniques. We give several concrete examples with the use of dc and ac magnetometry and estimate the sensitivity on dark matter couplings.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Wide-field microwave magnetic field imaging with nitrogen-vacancy centers in diamond

Non-invasive imaging of microwave (MW) magnetic fields with microscale lateral resolution is pivotal for various applications, such as MW technologies and integrated circuit failure analysis. Diamond nitrogen-vacancy (NV) center magnetometry has emerged as an ideal tool, offering micrometer-scale resolution, millimeter-scale field of view, high sensitivity, and non-invasive imaging compatible with diverse samples. However, up until now, it has been predominantly used for imaging of static or low-frequency magnetic fields or, concerning MW field imaging, to directly characterize the same microwave device used to drive the NV spin transitions. In this work, we leverage an NV center ensemble in diamond for wide-field imaging of MW magnetic fields generated by a test device employing a differential measurement protocol. The microscope is equipped with a MW loop to induce Rabi oscillations between NV spin states, and the MW field from the device-under-test is measured through local deviations in the Rabi frequency. This differential protocol yields magnetic field maps of a 2.57 GHz MW field with a sensitivity of ∼9 μT Hz −1/2 for a total measurement duration of T=357 s, covering a 340 × 340 μm 2 field of view with a micrometer-scale spatial resolution and a device-under-test input power dynamic range of 30 dB. This work demonstrates a novel NV magnetometry protocol, based on differential Rabi frequency measurement, that extends NV wide-field imaging capabilities to imaging of weak MW magnetic fields that would be difficult to measure directly through standard NV Rabi magnetometry.

crystallographic defects↗
DOE OSTI2021

High-resolution magnetic microscopy applications using nitrogen-vacancy centers in diamond

Magnetic microscopy with high spatial resolution helps to solve a variety of technical problems in condensed-matter physics, electrical engineering, biomagnetism, and geomagnetism. In this work we used quantum diamond magnetic microscope (QDMM) setups, which use a dense uniform layer of magnetically-sensitive nitrogen-vacancy (NV) centers in diamond to image an external magnetic field using a fluorescence microscope. We used this technique for imaging few-micron ferromagnetic needles used as a physically unclonable function (PUF) and to passively interrogate electric current paths in a commercial 555 timer integrated circuit (IC). As part of the QDMM development, we also found a way to calculate ion implantation recipes to create diamond samples with dense uniform NV layers at the surface. This work opens the possibility for follow-up experiments with 2D magnetic materials, ion implantation, and electronics characterization and troubleshooting.

36 MATERIALS SCIENCE↗