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At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Bonding, elastic and vibrational properties in low and high pressure synthesized diamond-like BCx phases

Recent studies demonstrate that low pressure chemical vapor deposition at 950 K leads to the synthesis of diamond-like boron carbides with high concentrations of boron (0.66 < x < 4) in which the sp 2 fraction depends on the boron concentration [1]. This indicates that the graphitic BC3 (g-BC3) phases obtained by chemical vapor deposition materials are mixtures of diamond-like and graphitic BCx phases. This finding allows us to revise the interpretation of the x-ray diffraction (XRD) patterns of the g-BC3 phases discussed previously [2, 3]. To support the new interpretation, we conducted a laser heating experiment of the g-BC3 phase. We found that after laser heating at 1100 K and 25 GPa in a diamond anvil cell (DAC) almost all graphitic layers of the g-BC3 transform into a cubic structure. The XRD pattern of the cubic BC3 phase (c-BC3) can be indexed with a cubic unit cell a = 3.619 (0.165) Å. Measurements of the equation of state of the g-BC3 phase demonstrated that boron atoms were incorporated into the graphitic B-C network. The linear compressibility along the c axis can be characterized by the value of the linear modulus Bc = 29.2 ± 1.8 GPa. Linear fitting of the experimental data for the a/a o parameter as a function of pressure gives us the value of the linear elastic modulus along the a axes: Ba = 800 ± 75 GPa.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Emission properties of a hybrid metallized diamond(001) photocathode

The spectral emission characteristics of a proof-of-concept hybrid metallized diamond(001) photocathode are presented. The quantum efficiency (QE) is shown to be determined by the photoinjection efficiency across the ohmic contact at the back metallized face, whereas the mean transverse energy (MTE) of the photoemitted electrons is consistent with an (optical)phonon-assisted and momentum-resonant Franck-Condon mechanism [Franck-Condon electron emission from polar semiconductor photocathodes, Phys. Rev. Appl. 23, 054065 (2025)] following electron drift transport to the untreated diamond(001) front emission face. Emission is observed from both the lower and upper conduction bands of diamond with positive and negative electron affinity, respectively. A potential route to the realization of a red-visible photocathode based on this concept with a sub-50 meV MTE and a QE greater than 0.1% is discussed.

Density of states↗
DOE OSTI2018

Finite-Element Simulations of Elastoplastic Flow during Compression of a Sample in a Diamond Anvil Cell under Extremely High Pressure: Effects of Geometry and Material Properties

Finite-element simulations are conducted to investigate large elastoplastic deformations of rhenium under multimegabar pressures in a diamond anvil cell (DAC), with an emphasis on the effects of geometric and material properties. The following published experimental phenomena are reproduced: (1) the pressure distribution at the sample or diamond contact surface and the final sample thickness at pressure up to 300 GPa; (2) the cupping (i.e., appearance of a cuplike concave shape of the contact diamond-sample surface) and double cupping phenomena at megabar pressures; (3) three stages at the curve of the maximum pressure versus compressive force; (4) stages of material flow with increasing load; (5) pressure drop at the periphery after cupping in that region; and (6) change in direction of material flow to the center without change in the sign of the pressure gradient. The effects of the culet geometry, bevel angle, sample thickness, and sample or gasket system are analyzed in detail. The obtained results improve the understanding of the material mechanical response under extreme pressures and large elastoplastic deformations and are beneficial for the optimum design of a DAC with the goal of reaching the high and record high pressures once or multiple times.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Measurement of diamond nucleation rates from hydrocarbons at conditions comparable to the interiors of icy giant planets

We present measurements of the nucleation rate into a diamond lattice in dynamically compressed polystyrene obtained in a pump-probe experiment using a high-energy laser system and in situ femtosecond x-ray diffraction. Different temperature-pressure conditions that occur in planetary interiors were probed. For a single shock reaching 70 GPa and 3000 K no diamond formation was observed, while with a double shock driving polystyrene to pressures around 150 GPa and temperatures around 5000 K nucleation rates between 10 29 and 10 34 m –3 s –1 were recorded. These nucleation rates do not agree with predictions of the state-of-the-art theoretical models for carbon-hydrogen mixtures by many orders of magnitude. Our data suggest that there is significant diamond formation to be expected inside icy giant planets like Neptune and Uranus.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Group-III quantum defects in diamond are stable spin-1 color centers

Color centers in diamond have emerged as leading solid-state “artificial atoms” for a range of quantum technologies, from quantum sensing to quantum networks. Concerted research activities are now underway to identify new color centers that combine stable spin and optical properties of the nitrogen vacancy (NV – ) with the spectral stability of the silicon vacancy (SiV – ) centers in diamond, with recent research identifying other group-IV color centers with superior properties. In this paper, we investigate a class of diamond quantum emitters from first principles, the group-III color centers, which we show to be thermodynamically stable in a spin-1, electric-field-insensitive structure. Further, from ab initio electronic structure methods, we characterize the product Jahn-Teller (pJT) effect present in the excited-state manifold of these group-III color centers, where we capture symmetry-breaking distortions associated with strong electron-phonon coupling. These predictions can guide experimental identification of group-III vacancy centers and their use in applications in quantum information science and technology.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Mechanochemical formation of heterogeneous diamond structures during rapid uniaxial compression in graphite

We predict mechanochemical formation of heterogeneous diamond structures from rapid uniaxial compression in graphite using quantum molecular dynamics simulations. Ensembles of simulations reveal the formation of different diamondlike products starting from thermal graphite crystal configurations. Here in this paper, we identify distinct classes of final products with characteristic probabilities of formation, stress states, and electrical properties and show through simulations of rapid quenching that these products are nominally stable and can be recovered at room temperature and pressure. Some of the diamond products exhibit significant disorder and partial closure of the energy gap between the highest-occupied and lowest-unoccupied molecular orbitals (i.e., the HOMO-LUMO gap). Seeding atomic vacancies in graphite significantly biases toward forming products with small HOMO-LUMO gap. We show that a strong correlation between the HOMO-LUMO gap and disorder in tetrahedral bonding configurations informs which kinds of structural defects are associated with gap closure. The rapid diffusionless transformation of graphite is found to lock vacancy defects into the final diamond structure, resulting in configurations that prevent sp 3 bonding and lead to localized HOMO and LUMO states with a small gap.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Programmable self-assembly of diamond polymorphs from chromatic patchy particles

In this paper, we present a method of controlling polymorphism in self-assembly and apply it to the long-standing problem of assembly of a colloidal diamond. The latter is often viewed as the “holy grail” of the self-assembly field, due to the challenge that it presents as well as thanks to its potential as a step towards manufacturing of photonic band-gap materials. In our approach, we use a “chromatic” version of traditional building blocks, the so-called patchy particle. Namely, the individual patches that belong to the same particle in our model are distinguishable (“colored”) and their pairwise interactions are color dependent, which could be implemented with the help of DNA fictionalization. We propose a design procedure and verify it with the help of Brownian dynamics simulations. Not only are we able to “program” the self-assembly of a high-quality cubic diamond lattice, but a small modification of the coloring scheme also allows us to “reprogram” the system to assemble into the alternative polymorph, a hexagonal diamond.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Quantum Mechanics of a Spherically Symmetric Causal Diamond in Minkowski Spacetime

We construct the phase space of a spherically symmetric causal diamond in ( d + 2 )-dimensional Minkowski spacetime. Utilizing the covariant phase space formalism, we identify the relevant degrees of freedom that localize to the d -dimensional bifurcate horizon and, upon canonical quantization, determine their commutators. On this phase space, we find two Iyer-Wald charges. The first of these charges, proportional to the area of the causal diamond, is responsible for shifting the null time along the horizon and has been well documented in the literature. The second charge is much less understood, being integrable for d ≥ 2 only if we allow for field-dependent diffeomorphisms and is responsible for changing the size of the causal diamond. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Charge state dynamics and optically detected electron spin resonance contrast of shallow nitrogen-vacancy centers in diamond

Nitrogen-vacancy (NV) centers in diamond can be used for nanoscale sensing with atomic resolution and sensitivity; however, it has been observed that their properties degrade as they approach the diamond surface. Here we report that in addition to degraded spin coherence, NV centers within nanometers of the surface can also exhibit decreased fluorescence contrast for optically detected electron spin resonance (OD-ESR). We demonstrate that this decreased OD-ESR contrast arises from charge state dynamics of the NV center, and that it is strongly surface-dependent, indicating that surface engineering will be critical for nanoscale sensing applications based on color centers in diamond.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Phase transition kinetics revealed by in situ x-ray diffraction in laser-heated dynamic diamond anvil cells

We report successful coupling of dynamic loading in a diamond anvil cell and stable laser heating, which enables compression rates up to 500 GPa/s along high-temperature isotherms. Dynamic loading in a diamond-anvil cell allows exploration of a wider range of pathways in the pressure-temperature space compared to conventional dynamic compression techniques. By x-ray diffraction, we are able to characterize and monitor the structural transitions with the appropriate time resolution i.e., millisecond timescales. Using this method, we investigate the γ − ε phase transition of iron under dynamic compression, reaching compression rates of hundreds of GPa/s and temperatures of 2000 K. Our results demonstrate a distinct response of the γ − ε and α − ε transitions to the high compression rates achieved, possibly due to the different transition mechanisms. These findings open up new avenues to study tailored dynamic compression pathways in the pressure-temperature space and highlight the potential of this platform to capture kinetic effects (over ms time scales) in a diamond anvil cell. Published by the American Physical Society 2024

Ricks, Matthew (ORCID:000000015315612X)↗
DOE OSTI2023

Microwave-Based Quantum Control and Coherence Protection of Tin-Vacancy Spin Qubits in a Strain-Tuned Diamond-Membrane Heterostructure

Robust spin-photon interfaces in solids are essential components in quantum networking and sensing technologies. Ideally, these interfaces combine a long-lived spin memory, coherent optical transitions, fast and high-fidelity spin manipulation, and straightforward device integration and scaling. The tin- vacancy center (SnV) in diamond is a promising spin-photon interface with desirable optical and spin properties at 1.7 K. However, the SnV spin lacks efficient microwave control, and its spin coherence degrades with higher temperature. In this work, we introduce a new platform that overcomes these challenges—SnV centers in uniformly strained thin diamond membranes. The controlled generation of crystal strain introduces orbital mixing that allows microwave control of the spin state with 99.36(9)% gate fidelity and spin coherence protection beyond a millisecond. Moreover, the presence of crystal strain suppresses temperature-dependent dephasing processes, leading to a considerable improvement of the coherence time up to 223(10) μs at 4 K, a widely accessible temperature in common cryogenic systems. Critically, the coherence of optical transitions is unaffected by the elevated temperature, exhibiting nearly lifetime-limited optical linewidths. Combined with the compatibility of diamond membranes with device integration, the demonstrated platform is an ideal spin-photon interface for future quantum technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Strongly Interacting, Two-Dimensional, Dipolar Spin Ensembles in (111)-Oriented Diamond

Systems of spins with strong dipolar interactions and controlled dimensionality enable new explorations in quantum sensing and simulation. In this work, we investigate the creation of strong dipolar interactions in a two-dimensional ensemble of nitrogen-vacancy (NV) centers generated via plasma-enhanced chemical vapor deposition on (111)-oriented diamond substrates. We find that diamond growth on the (111) plane yields high incorporation of spins, both nitrogen and NV centers, where the density of the latter is tunable via the miscut of the diamond substrate. Our process allows us to form dense, preferentially aligned, 2D NV ensembles with volume-normalized ac sensitivity down to η ac = 810 pT μ m 3 / 2 Hz − 1 / 2 . Furthermore, we show that (111) affords maximally positive dipolar interactions among a 2D NV ensemble, which is crucial for leveraging dipolar-driven entanglement schemes and exploring new interacting spin physics. Published by the American Physical Society 2025

Hughes, Lillian B. (ORCID:0000000210201661)↗
DOE OSTI2016

Diamond drumhead crystals for X-ray optics applications

Thin (<50 µm) and flawless diamond single crystals are essential for the realization of numerous advanced X-ray optical devices at synchrotron radiation and free-electron laser facilities. The fabrication and handling of such ultra-thin components without introducing crystal damage and strain is a challenge. Drumhead crystals, monolithic crystal structures composed of a thin membrane furnished with a surrounding solid collar, are a solution ensuring mechanically stable strain-free mounting of the membranes with efficient thermal transport. Diamond, being one of the hardest and most chemically inert materials, poses significant difficulties in fabrication. Reported here is the successful manufacture of diamond drumhead crystals in the [100] orientation using picosecond laser milling. Subsequent high-temperature treatment appears to be crucial for the membranes to become defect free and unstrained, as revealed by X-ray topography on examples of drumhead crystals with a 26 µm thick (1 mm in diameter) and a 47 µm thick (1.5 × 2.5 mm) membrane.

Kolodziej, Tomasz↗
DOE OSTI2024

High Field Transport in (Ultra) Wide Bandgap Semiconductors: Diamond Versus Cubic GaN

We provide an analysis of nonlinear transport in diamond and cubic GaN (c-GaN) with emphasis on the different types of optical phonon scattering [i.e., optical deformation potential (ODP) scattering versus polar optic phonon (POP) scattering] limiting the carrier velocity. Both types of carrier mobilities and carrier saturation (peak) velocities in diamond and c-GaN as functions of different doping types and concentrations are obtained by directly solving the Boltzmann equation. Our model indicates that the nonrandomizing nature of POP scattering causes carrier temperature cooling, resulting in higher carrier drift velocity than with ODP scattering. This effect, in addition to the small carrier effective masses and large optical phonon energies, is responsible for the higher peak velocities in c-GaN, compared to carrier drift velocity in diamond.

42 ENGINEERING↗
DOE OSTI2019

Two-dimensional nuclear magnetic resonance spectroscopy with a microfluidic diamond quantum sensor

Quantum sensors based on nitrogen-vacancy centers in diamond have emerged as a promising detection modality for nuclear magnetic resonance (NMR) spectroscopy owing to their micrometer-scale detection volume and noninductive-based detection. A remaining challenge is to realize sufficiently high spectral resolution and concentration sensitivity for multidimensional NMR analysis of picoliter sample volumes. Here, we address this challenge by spatially separating the polarization and detection phases of the experiment in a microfluidic platform. We realize a spectral resolution of 0.65 ± 0.05 Hz, an order-of-magnitude improvement over previous diamond NMR studies. We use the platform to perform two-dimensional correlation spectroscopy of liquid analytes within an effective ~40-picoliter detection volume. The use of diamond quantum sensors as in-line microfluidic NMR detectors is a major step toward applications in mass-limited chemical analysis and single-cell biology.

Science & Technology - Other Topics↗
DOE OSTI2022

Diamond formation kinetics in shock-compressed C$-$H$-$O samples recorded by small-angle x-ray scattering and x-ray diffraction

Extreme conditions inside ice giants such as Uranus and Neptune can result in peculiar chemistry and structural transitions, e.g., the precipitation of diamonds or superionic water, as so far experimentally observed only for pure C$-$H and H 2 O systems, respectively. Here, we investigate a stoichiometric mixture of C and H 2 O by shock-compressing polyethylene terephthalate (PET) plastics and performing in situ x-ray probing. We observe diamond formation at pressures between 72 ± 7 and 125 ± 13 GPa at temperatures ranging from ~3500 to ~6000 K. Combining x-ray diffraction and small-angle x-ray scattering, we access the kinetics of this exotic reaction. The observed demixing of C and H 2 O suggests that diamond precipitation inside the ice giants is enhanced by oxygen, which can lead to isolated water and thus the formation of superionic structures relevant to the planets’ magnetic fields. Moreover, our measurements indicate a way of producing nanodiamonds by simple laser-driven shock compression of cheap PET plastics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Nuclear quadrupole resonance spectroscopy with a femtotesla diamond magnetometer

Radio frequency (RF) magnetometers based on nitrogen vacancy centers in diamond are predicted to offer femtotesla sensitivity, but previous experiments were limited to the picotesla level. We demonstrate a femtotesla RF magnetometer using a diamond membrane inserted between ferrite flux concentrators. The device provides ~300-fold amplitude enhancement for RF magnetic fields from 70 kHz to 3.6 MHz, and the sensitivity reaches ~70 fT√s at 0.35 MHz. The sensor detected the 3.6-MHz nuclear quadrupole resonance (NQR) of room-temperature sodium nitrite powder. The sensor’s recovery time after an RF pulse is ~35 μs, limited by the excitation coil’s ring-down time. The sodium-nitrite NQR frequency shifts with temperature as -1.00±0.02 kHz/K, the magnetization dephasing time is T 2 *=887±51 μs, and multipulse sequences extend the signal lifetime to 332±23 ms, all consistent with coil-based studies. Our results expand the sensitivity frontier of diamond magnetometers to the femtotesla range, with potential applications in security, medical imaging, and materials science.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

∆ E /∆ E Measurements of Energetic Ions Using CVD Diamond Detectors

Experimental and computational results of a Δ E /Δ E diamond detection system are presented. The Δ E /Δ E detection system was evaluated using energetic proton and iron beams striking thick polyethylene targets at the NASA Space Radiation Laboratory (NSRL) at Brookhaven National Laboratory (BNL). The measured data for diamond sensor A show good agreement with the Geant4 simulation. In addition, simulations have demonstrated the ability to identify hydrogen isotopes using a diamond detection system.

Alghamdi, Ahmed↗