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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Tuning of Fermi contour anisotropy in GaAs (001) 2D holes via strain

In this paper, we demonstrate tuning of the Fermi contour anisotropy of two-dimensional (2D) holes in a symmetric GaAs (001) quantum well via the application of in-plane strain. The ballistic transport of high-mobility hole carriers allows us to measure the Fermi wavevector of 2D holes via commensurability oscillations as a function of strain. Our results show that a small amount of in-plane strain, on the order of 10 -4 , can induce significant Fermi wavevector anisotropy as large as 3.3, equivalent to a mass anisotropy of 11 in a parabolic band. Our method to tune the anisotropy in situ provides a platform to study the role of anisotropy in phenomena such as the fractional quantum Hall effect and composite fermions in interacting 2D systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Active tuning of high-Q dielectric metasurfaces

Here, we demonstrate the active tuning of all-dielectric metasurfaces exhibiting high-quality factor (high-Q) resonances. The active control is provided by embedding the asymmetric silicon meta-atoms with liquid crystals, which allows the relative index of refraction to be controlled through heating. It is found that high quality factor resonances (Q = 270 ± 30) can be tuned over more than three resonance widths. Our results demonstrate the feasibility of using all-dielectric metasurfaces to construct tunable narrow-band filters.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Electrostatically tuned dimensional crossover in LaAlO 3 /SrTiO 3 heterostructures

We report a gate-tunable dimensional crossover in sub-micrometer-scale channels created at the LaAlO 3 /SrTiO 3 interface. Conducting channels of widths 10 nm and 200 nm are created using conducting atomic force microscope lithography. Under sufficient negative back-gate tuning, the orbital magnetoconductance of the 200 nm channel is strongly quenched, and residual signatures of low-field weak-antilocalization become strikingly similar to that of the 10 nm channel. The dimensional crossover for the 200 nm channel takes place near the conductance quantum G = 2e 2 /h. The ability to tune the dimensionality of narrow LaAlO 3 /SrTiO 3 channels has implications for interpreting transport in a variety of gate-tunable oxide-heterostructure devices.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Charge transfer-tuned magnetism in Nd-substituted Gd 5 Si 4

We report a charge-transfer mechanism in tuning of magnetism of Nd-substituted Gd 5-x Nd x Si 4 (x = 1 and 2.5) compounds. The X-ray absorption near edge structure measurements demonstrated that Nd substitutions for Gd induce charge transfer of 5 d electrons from Gd to Nd. The charge transfer weakens spin-orbital coupling of Gd but strengthens that of Nd. Consequently, the magnetization responses of the substituted compounds to low magnetic fields are increased while their saturation magnetization is reduced. Electronic structure calculations showed that the charge transfer stabilizes a ferromagnetic and a ferrimagnetic structure in the compounds with x = 1 and 2.5, respectively, but that it does not change the 5 d –3 p hybridization significantly. It is suggested that the charge transfer of 5d electrons may occur in other rare earth-substituted Gd 5 Si 4 compounds allowing for tuning of their magnetism.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Computer-automated tuning procedures for semiconductor quantum dot arrays

As with any quantum computing platform, semiconductor quantum dot devices require sophisticated hardware and controls for operation. The increasing complexity of quantum dot devices necessitates the advancement of automated control software and image recognition techniques for rapidly evaluating charge stability diagrams. We use an image analysis toolbox developed in Python to automate the calibration of virtual gates, a process that previously involved a large amount of user intervention. Moreover, we show that straightforward feedback protocols can be used to simultaneously tune multiple tunnel couplings in a triple quantum dot in a computer automated fashion. Finally, we adopt the use of a “tunnel coupling lever arm” to model the interdot barrier gate response and discuss how it can be used to more rapidly tune interdot tunnel couplings to the gigahertz values that are compatible with exchange gates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Tuning time and energy resolution in time-resolved photoemission spectroscopy with nonlinear crystals

Time- and angle-resolved photoemission spectroscopy is a powerful probe of electronic band structures out of equilibrium. Tuning time and energy resolution to suit a particular scientific question has become an increasingly important experimental consideration. Many instruments use cascaded frequency doubling in nonlinear crystals to generate the required ultraviolet probe pulses. In this work, we demonstrate how calculations clarify the relationship between laser bandwidth and nonlinear crystal thickness contributing to experimental resolutions and place intrinsic limits on the achievable time-bandwidth product. Experimentally, we tune time and energy resolution by varying the thickness of nonlinear β-BaB 2 O 4 crystals for frequency upconversion, providing a flexible experiment design. We achieve time resolutions of 58–103 fs and corresponding energy resolutions of 55–27 meV. We propose a method to select crystal thickness based on desired experimental resolutions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Tuning spin–orbit coupling in (6,5) single-walled carbon nanotube doped with sp 3 defects

Single-walled carbon nanotubes (SWCNTs) containing sp 3 defects are a promising class of optoelectronic materials with bright photoluminescence and demonstrated single-photon emission. Using density functional theory simulations, complemented by measurements, we investigate the electronic structure of a series of quantum defects attached to (6,5) SWCNT with the goal of tuning the spin–orbit coupling by introduction of a heavy atom in the defect structure. We characterize the ground state electronic and spin properties of four synthesized and three potential defects on the tube and find that all of the synthesized defects considered introduce a localized midgap defect-centered state containing a single electron, ≈0.2–0.3 eV above the valence band. The spin density is located at the sp 3 defect site with negligible spin–orbit coupling even with the presence of a Pd atom. Three additional functional groups were tested via computation to increase spin localization near the metal, thereby increasing spin–orbit coupling. We predict that only the chlorodiphosphanepalladium(II)– [Cl(PH 3 ) 2 Pd(II)–] defect results in increased spin–orbit splitting of the defect state and the conduction band associated with the pristine-like SWCNT, a measure of the spin–orbit coupling of excited state transitions. This study suggests that for unpassivated sp 3 defects in (6,5) SWCNT, forming a direct bond between a heavy atom and the sp 3 carbon allows for tuning of spin–orbit coupling.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

An optimally tuned range-separated hybrid starting point for ab initio GW plus Bethe–Salpeter equation calculations of molecules

The ab initio GW plus Bethe–Salpeter equation (GW-BSE, where G is the one particle Green's function and W is the screened Coulomb interaction) approach has emerged as a leading method for predicting excitations in both solids and molecules with a predictive power contingent upon several factors. Among these factors are the (1) generalized Kohn–Sham eigensystem used to construct the GW self-energy and to solve the BSE and (2) the efficacy and suitability of the Tamm–Dancoff approximation. Here, we present a detailed benchmark study of low-lying singlet excitations from a generalized Kohn–Sham (gKS) starting point based on an optimally tuned range-separated hybrid (OTRSH) functional. We show that the use of this gKS starting point with one-shot G0W0 and G0W0-BSE leads to the lowest mean absolute errors (MAEs) and mean signed errors (MSEs), with respect to high-accuracy reference values, demonstrated in the literature thus far for the ionization potentials of the GW100 benchmark set and for low-lying neutral excitations of Thiel’s set molecules in the gas phase, without the need for self-consistency. The MSEs and MAEs of one-shot G0W0-BSE@OTRSH excitation energies are comparable to or lower than those obtained with other functional starting points after self-consistency. Additionally, we compare these results with linear-response time-dependent density functional theory (TDDFT) calculations and find GW-BSE to be superior to TDDFT when calculations are based on the same exchange-correlation functional. This work demonstrates tuned range-separated hybrids used in combination with GW and GW-BSE can greatly suppress starting point dependence for molecules, leading to accuracy similar to that for higher-order wavefunction-based theories for molecules without the need for costlier iterations to self-consistency.

McKeon, Caroline A. (ORCID:0000000217373503)↗
DOE OSTI2015

Pressure-tuned quantum criticality in the antiferromagnetic Kondo semimetal CeNi 2–δ As 2

The easily tuned balance among competing interactions in Kondo-lattice metals allows access to a zero-temperature, continuous transition between magnetically ordered and disordered phases, a quantum-critical point (QCP). Indeed, these highly correlated electron materials are prototypes for discovering and exploring quantum-critical states. Theoretical models proposed to account for the strange thermodynamic and electrical transport properties that emerge around the QCP of a Kondo lattice assume the presence of an indefinitely large number of itinerant charge carriers. Here, we report a systematic transport and thermodynamic investigation of the Kondo-lattice system CeNi 2–δ As 2 (δ ≈ 0.28) as its antiferromagnetic order is tuned by pressure and magnetic field to zero-temperature boundaries. These experiments show that the very small but finite carrier density of ~0.032 e – /formular unit in CeNi 2–δ As 2 leads to unexpected transport signatures of quantum criticality and the delayed development of a fully coherent Kondo-lattice state with decreasing temperature. Here, the small carrier density and associated semimetallicity of this Kondo-lattice material favor an unconventional, local-moment type of quantum criticality and raises the specter of the Nozières exhaustion idea that an insufficient number of conduction-electron spins to separately screen local moments requires collective Kondo screening.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Transverse fields to tune an Ising-nematic quantum phase transition

Significance Many interesting materials, including various high-temperature superconductors, exhibit a low-temperature “electron nematic” phase in which the electronic properties spontaneously break the rotational symmetry of the crystal. A nematic quantum critical point (QCP) marks the zero-temperature phase transition from a nematic ground state to a symmetric state as a function of a macroscopic nonthermal parameter. Here, we examine appropriate general means to tune Ising nematic systems to a QCP and in particular show that shear strain is a powerful tuning parameter. Moreover, we identify 4f ferroquadrupolar order as a realization of Ising nematic order and argue that it provides a promising platform for fundamental studies of metallic QCPs in the laboratory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Photosynthesis tunes quantum-mechanical mixing of electronic and vibrational states to steer exciton energy transfer

Significance Photosynthetic light-harvesting antennae transfer energy toward reaction centers with high efficiency, but in high light or oxidative environments, the antennae divert energy to protect the photosynthetic apparatus. For a decade, quantum effects driven by vibronic coupling, where electronic and vibrational states couple, have been suggested to explain the energy transfer efficiency, but questions remain whether quantum effects are merely consequences of molecular systems. Here, we show evidence that biology tunes interpigment vibronic coupling, indicating that the quantum mechanism is operative in the efficient transfer regime and exploited by evolution for photoprotection. Specifically, the Fenna–Matthews–Olson complex uses redox-active cysteine residues to tune the resonance between its excitons and a pigment vibration to steer excess excitation toward a quenching site.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Field-tuned ferroquadrupolar quantum phase transition in the insulator TmVO 4

We report results of low-temperature heat-capacity, magnetocaloric-effect, and neutron-diffraction measurements of TmVO 4 , an insulator that undergoes a continuous ferroquadrupolar phase transition associated with local partially filled 4 f orbitals of the thulium (Tm 3 + ) ions. The ferroquadrupolar transition, a realization of Ising nematicity, can be tuned to a quantum critical point by using a magnetic field oriented along the c axis of the tetragonal crystal lattice, which acts as an effective transverse field for the Ising-nematic order. In small magnetic fields, the thermal phase transition can be well described by using a semiclassical mean-field treatment of the transverse-field Ising model. However, in higher magnetic fields, closer to the field-tuned quantum phase transition, subtle deviations from this semiclassical behavior are observed, which are consistent with expectations of quantum fluctuations. Although the phase transition is driven by the local 4 f degrees of freedom, the crystal lattice still plays a crucial role, both in terms of mediating the interactions between the local quadrupoles and in determining the critical scaling exponents, even though the phase transition itself can be described via mean field. In particular, bilinear coupling of the nematic order parameter to acoustic phonons changes the spatial and temporal fluctuations of the former in a fundamental way, resulting in different critical behavior of the nematic transverse-field Ising model, as compared to the usual case of the magnetic transverse-field Ising model. Our results establish TmVO 4 as a model material and electronic nematicity as a paradigmatic example for quantum criticality in insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Flat-band tuning and emergent itinerant magnetism in Sr(Co 1− x Pd x ) 2 As 2

The interplay between magnetism and flat-band (FB) instability is a central theme in quantum materials research. A striking example is the emergence of magnetic order in a nominally nonmagnetic compound when a flat band is tuned near the Fermi energy (E F ). Here, in this study, we investigate this phenomenon in the Pauli paramagnet SrCo 2 As 2 , where an FB associated with Co e g orbitals lies close to E F . Remarkably, a minute substitution of the nonmagnetic element Pd onto the Co site (~2%) induces antiferromagnetic order with a transition temperature as high as T N = 25 K. Temperature- and magnetic-field-dependent magnetic and transport measurements, complemented by zero-field neutron diffraction, reveal a helical magnetic order for x ≤ 0.10 in Sr(Co 1−x Pd x ) 2 As 2 , transitioning to a complex ferromagnetic state at higher Pd concentrations. Spectroscopic evidence and theoretical band structure calculations demonstrate that electron doping shifts the flat band closer to E F , significantly enhancing the Stoner parameter. This enhancement drives a strong ferromagnetic instability, leading to helical magnetic ordering dominated by in-plane ferromagnetic interactions. The emergence of robust magnetic ordering through substitution with nonmagnetic elements is a unique phenomenon that underscores the pivotal role of flat-band instability in tuning magnetism in itinerant systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tuning magnetism in Ising-type van der Waals magnet FePS 3 by lithium intercalation

Recently, layered transition metal thiophosphate MPX 3 (M = transition metals, X = S or Se) have gained significant attention because of their rich magnetic, optical, and electronic properties. Specifically, the diverse magnetic structures and the robustness of magnetism in the two-dimensional (2D) limit have made them prominent candidates to study 2D magnetism. Numerous efforts such as substitutions and interlayer intercalations have been adopted to tune the magnetic properties of these materials, which has greatly deepened the understanding of the underlying mechanisms that govern the properties. In this work, we focus on modifying the magnetism of Ising-type antiferromagnet FePS 3 using electrochemical lithium intercalation. Furthermore, our work demonstrate the effectiveness of electrochemical intercalation as a controllable tool to modulating magnetism, including tuning magnetic ordering temperature and inducing low temperature spin-glass state, offering an approach for implementing this material into applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Fine tuning may not be enough

We argue that the fine tuning problems of scalar-driven inflation may be worse than is commonly believed. The reason is that reheating requires the inflaton to be coupled to other matter fields whose vacuum fluctuations alter the inflaton potential. The usual response has been that even more fine-tuning of the classical potential V(φ) can repair any damage done in this way. We point out that the effective potential in de Sitter background actually depends in a complicated way upon the dimensionless combination of φ/H. We also show that the factors of H which occur in de Sitter do not even correspond to local functionals of the metric for general geometries, nor are they Planck-suppressed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Symmetrically tuned large-volume conic shell-cavities for axion searches

In an earlier paper [1], a new class of thin-shell cavities were proposed to evade the steep frequency scaling of conventional axion haloscopes. In this follow-up work, we see that a generalized conic geometry enables robust frequency-tuning for these large-volume cm-wave cavities. The frequency-defining dimension of a conic shell-cavity changes symmetrically and uniformly during tuning, maintaining a high axion coupling efficiency (the "form factor") to an external solenoid field. It is further shown that such tunable geometry is not restricted to circular cones. A general prescription for arbitrary volume-filling conic shell-cavities is developed and direct solutions are obtained for the created numerical models. Additionally, the largest of the realized designs is a meandering "brain" cavity that is tunable over a frequency range of 20%. The scan rate of this cavity is three orders of magnitude larger than that of a scaled cylindrical cavity used in the current generation experiments. The prospects for such a large improvement in the scan rate should motivate R& D efforts in fabrication and other implementation techniques. If these engineering challenges can be met, cavity-based axion haloscopes can stay competitive at frequencies higher than a few GHz. We propose an experimental configuration at 20 GHz (~80 μeV) using an array of brain cavities and compare it with other proposals for similar frequencies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

In-plane uniaxial-strain tuning of superconductivity and charge-density wave in CsV 3 Sb 5

The kagome superconductor CsV 3 Sb 5 with exotic electronic properties has attracted substantial research interest, and the interplay between the superconductivity and the charge-density wave is crucial for understanding its unusual electronic ground state. In this work, we performed resistivity and AC magnetic susceptibility measurements on CsV 3 Sb 5 single crystals uniaxially-strained along [100] and [110] directions. We find that the uniaxial-strain tuning effect ofT c (dT c /dε) andT CDW (dT CDW /dε) are almost identical along these distinct high-symmetry directions. These findings suggest the in-plane uniaxial-strain-tuning ofT c andT CDW in CsV 3 Sb 5 are dominated by associatedc-axis strain, whereas the response to purely in-plane strains is likely small.

Physics↗
DOE OSTI2021

Tuning the room temperature ferromagnetism in Fe 5 GeTe 2 by arsenic substitution

In order to tune the magnetic properties of the cleavable high-Curie temperature ferromagnet Fe$_{5-x}$GeTe 2 , the effect of increasing the electron count through arsenic substitution has been investigated. Small additions of arsenic (2.5% and 5%) seemingly enhance ferromagnetic order in polycrystalline samples by quenching fluctuations on one of the three magnetic sublattices, whereas larger As concentrations decrease the ferromagnetic Curie temperature (T C ) and saturation magnetization. Furthermore, this work also describes the growth and characterization of Fe 4.8 AsTe 2 single crystals that are structurally analogous to Fe$_{5-x}$GeTe 2 but with some phase stability complications. Magnetization measurements reveal dominant antiferromagnetic behavior in Fe 4.8 AsTe 2 with a Néel temperature of $T_{\textrm{N}} \approx$ 42 K. A field-induced spin-flop below T N results in a switch from negative to positive magnetoresistance, with significant hysteresis causing butterfly-shaped resistance loops. In addition to reporting the properties of Fe 4.8 AsTe 2 , this work shows the importance of manipulating the individual magnetic sublattices in Fe$_{5-x}$GeTe 2 and motivates further efforts to control the magnetic properties in related materials by fine tuning of the Fermi energy or crystal chemistry.

36 MATERIALS SCIENCE↗