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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Prediction of Above-Room-Temperature Superconductivity in Lanthanide/Actinide Extreme Superhydrides

Achieving superconductivity at or above room temperature has been a century long held dream for physicists since the discovery of superconductivity in mercury in 1911. Following the recent predictions and ensuing synthesis of clathrate superhydride LaH 10 under pressure exhibiting extraordinary superconducting critical temperatures (T c ) of 250 260 K, we predict via advanced crystal structure search methods a new class of extremely hydrogen rich clathrate superhydrides. These MH 18 (M: rare earth/actinide metal atom) stoichiometric compounds consisting of H36 cage networks are predicted to host T c values above room temperature up to 330 K at pressures of 350 GPa. The bonding and electronic properties of these MH 18 clathrate superhydrides parallel those of atomic metallic hydrogen, giving rise to the highest superconducting temperatures predicted thus far for a thermodynamically stable hydride compound. In depth examination of these extreme superhydrides offers key insights for elucidating and further exploring phonon mediated superconductivity above room temperature in hydrogen rich and other low Z materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Unraveling Reactivity Differences: Room-Temperature Ring-Opening Metathesis Polymerization (ROMP) versus Frontal ROMP

Here, in this study, we explore the distinct reactivity patterns between frontal ring-opening metathesis polymerization (FROMP) and room-temperature solventless ring-opening metathesis polymerization (ROMP). Despite their shared mechanism, we find that FROMP is less sensitive to inhibitor concentration than room-temperature ROMP. By increasing the initiator-to-monomer ratio for a fixed inhibitor/initiator quantity, we find reduction in the ROMP background reactivity at room temperature (i.e., increased resin pot life). At elevated temperatures where inhibitor dissociation prevails, accelerated frontal polymerization rates are observed because of the concentrated presence of the initiator. Surprisingly, the strategy of employing higher initiator loading enhances both pot life and front speeds, which leads to FROMP rates exceeding prior reported values by over 5 times. This counterintuitive behavior is attributed to an increase in the proximity of the inhibitor to the initiator within the bulk resin and to whether the temperature favors coordination or dissociation of the inhibitor. A rapid method was developed for assessing resin pot life, and a straightforward model for active initiator behavior was established. Modified resin systems enabled direct ink writing of robust thermoset structures at rates much faster than previously possible.

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

Telecom-Luminescent and Room Temperature Coherent Tetrathiafulvalene-Based Qubits in Spin-Rich Solids

One of the main challenges facing quantum information science (QIS) is the development of robust qubits that can be op-erated under ambient conditions. Current state-of-the-art anionic nitrogen vacancy center (NV–) defect qubits are robust enough to be operated at room temperature but lack scalability and tunability. These are areas where molecular qubits excel, although they typically suffer from poor air stability and fast decoherence at elevated temperatures and in magneti-cally noisy environments. Organic-based systems offer advantages to this end, although examples retaining room tem-perature coherence are still rare. Furthermore, most organic-based systems lack optical transitions similar to NV– centers that could allow for optical initialization and readout. Here we report two new organic-based qubit candidates that demonstrate room temperature coherence in nuclear and electron spin-rich environments. These qubits luminesce far into the near-infrared (NIR, 700-1700 nm) and telecom (~1260-1625 nm) regions, ideal for biological sensing and com-munications applications, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons

Historically, room-temperature structure determination was succeeded by cryo-crystallography to mitigate radiation damage. Here, we demonstrate that serial millisecond crystallography at a synchrotron beamline equipped with high-viscosity injector and high frame-rate detector allows typical crystallographic experiments to be performed at room-temperature. Using a crystal scanning approach, we determine the high-resolution structure of the radiation sensitive molybdenum storage protein, demonstrate soaking of the drug colchicine into tubulin and native sulfur phasing of the human G protein-coupled adenosine receptor. Serial crystallographic data for molecular replacement already converges in 1,000–10,000 diffraction patterns, which we collected in 3 to maximally 82 minutes. Compared with serial data we collected at a free-electron laser, the synchrotron data are of slightly lower resolution, however fewer diffraction patterns are needed for de novo phasing. Overall, the data we collected by room-temperature serial crystallography are of comparable quality to cryo-crystallographic data and can be routinely collected at synchrotrons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Nanoengineering room temperature ferroelectricity into orthorhombic SmMnO 3 films

Orthorhombic R MnO 3 ( R = rare-earth cation) compounds are type-II multiferroics induced by inversion-symmetry-breaking of spin order. They hold promise for magneto-electric devices. However, no spontaneous room-temperature ferroic property has been observed to date in orthorhombic R MnO 3 . Here, using 3D straining in nanocomposite films of (SmMnO 3 ) 0.5 ((Bi,Sm) 2 O 3 ) 0.5 , we demonstrate room temperature ferroelectricity and ferromagnetism with T C,FM ~ 90 K, matching exactly with theoretical predictions for the induced strain levels. Large in-plane compressive and out-of-plane tensile strains (-3.6% and +4.9%, respectively) were induced by the stiff (Bi,Sm) 2 O 3 nanopillars embedded. The room temperature electric polarization is comparable to other spin-driven ferroelectric R MnO 3 films. Also, while bulk SmMnO 3 is antiferromagnetic, ferromagnetism was induced in the composite films. The Mn-O bond angles and lengths determined from density functional theory explain the origin of the ferroelectricity, i.e. modification of the exchange coupling. Our structural tuning method gives a route to designing multiferroics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Room-temperature intrinsic ferromagnetism in epitaxial CrTe 2 ultrathin films

While the discovery of two-dimensional (2D) magnets opens the door for fundamental physics and next-generation spintronics, it is technically challenging to achieve the room-temperature ferromagnetic (FM) order in a way compatible with potential device applications. Here in this paper, we report the growth and properties of single- and few-layer CrTe 2 , a van der Waals (vdW) material, on bilayer graphene by molecular beam epitaxy (MBE). Intrinsic ferromagnetism with a Curie temperature (TC) up to 300 K, an atomic magnetic moment of ~0.21 μ B /Cr and perpendicular magnetic anisotropy (PMA) constant (K u ) of 4.89 × 10 5 erg/cm 3 at room temperature in these few-monolayer films have been unambiguously evidenced by superconducting quantum interference device and X-ray magnetic circular dichroism. This intrinsic ferromagnetism has also been identified by the splitting of majority and minority band dispersions with ~0.2 eV at Г point using angle-resolved photoemission spectroscopy. The FM order is preserved with the film thickness down to a monolayer (T C ~ 200 K), benefiting from the strong PMA and weak interlayer coupling. The successful MBE growth of 2D FM CrTe 2 films with room-temperature ferromagnetism opens a new avenue for developing large-scale 2D magnet-based spintronics devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Room temperature valley polarization via spin selective charge transfer

Abstract The two degenerate valleys in transition metal dichalcogenides can be used to store and process information for quantum information science and technology. A major challenge is maintaining valley polarization at room temperature where phonon-induced intervalley scattering is prominent. Here we demonstrate room temperature valley polarization in heterostructures of monolayer MoS 2 and naphthylethylammine based one-dimensional chiral lead halide perovskite. By optically exciting the heterostructures with linearly polarized light close to resonance and measuring the helicity resolved photoluminescence, we obtain a degree of polarization of up to −7% and 8% in MoS 2 /right-handed (R-(+)-) and left-handed (S-(-)-) 1-(1-naphthyl)ethylammonium lead iodide perovskite, respectively. We attribute this to spin selective charge transfer from MoS 2 to the chiral perovskites, where the perovskites act as a spin filter due to their chiral nature. Our study provides a simple, yet robust route to obtain room temperature valley polarization, paving the way for practical valleytronics devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Room-temperature valley-selective emission in Si-MoSe 2 heterostructures enabled by high-quality-factor chiroptical cavities

Transition metal dichalcogenides possess valley pseudospin, enabling coupling between photon spin and electron spin for classical and quantum information processing. However, rapid valley-dephasing processes have impeded the development of scalable, high-performance valleytronic devices operating at room temperature. Here we demonstrate that a chiral resonant metasurface can enable room-temperature valley-selective emission in MoSe 2 monolayers independent of excitation polarization. This platform provides circular eigen-polarization states with a high quality factor (Q-factor) and strong chiral near-field enhancement. The fabricated Si chiral metasurfaces exhibit chiroptical resonances with Q-factors up to 450 at visible wavelengths. We reveal degrees of circular polarization (DOP) reaching a record high of 0.5 at room temperature. Our measurements show that the high DOP can be attributed to the significantly increased chiroptical local density of states, which enhances valley-specific radiative transition rates by a factor of ~13. Our work could facilitate the development of ultracompact chiral classical and quantum light sources.

42 ENGINEERING↗
DOE OSTI2022

Halide perovskites enable polaritonic XY spin Hamiltonian at room temperature

Exciton polaritons, the part-light and part-matter quasiparticles in semiconductor optical cavities, are promising for exploring Bose–Einstein condensation, non-equilibrium many-body physics and analogue simulation at elevated temperatures. However, a room-temperature polaritonic platform on par with the GaAs quantum wells grown by molecular beam epitaxy at low temperatures remains elusive. Here, the operation of such a platform calls for long-lifetime, strongly interacting excitons in a stringent material system with large yet nanoscale-thin geometry and homogeneous properties. Here, we address this challenge by adopting a method based on the solution synthesis of excitonic halide perovskites grown under nanoconfinement. Such nanoconfinement growth facilitates the synthesis of smooth and homogeneous single-crystalline large crystals enabling the demonstration of XY Hamiltonian lattices with sizes up to 10 × 10. With this demonstration, we further establish perovskites as a promising platform for room temperature polaritonic physics and pave the way for the realization of robust mode-disorder-free polaritonic devices at room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Discovery of charge order above room-temperature in the prototypical kagome superconductor La(Ru1−xFex)3Si2

Abstract The kagome lattice is an intriguing and rich platform for discovering, tuning and understanding the diverse phases of quantum matter, crucial for advancing modern and future electronics. Despite considerable efforts, accessing correlated phases at room temperature has been challenging. Using single-crystal X-ray diffraction, we discovered charge order above room temperature in La(Ru 1−x Fe x ) 3 Si 2 (x= 0, 0.01, 0.05), where charge order related to out-of-plane Ru atom displacements appears belowT CO,I ≃ 400 K. The secondary charge ordered phase emerges belowT CO,II ≃ 80–170 K. Furthermore, first principles calculations reveal both the kagome flat band and the van Hove point near the Fermi energy in LaRu 3 Si 2 , driven by Ru-dz 2 orbitals. Our results identify LaRu 3 Si 2 as the kagome superconductor with the highest known charge ordering temperature, offering a promising avenue for researching room temperature quantum phases and developing related technologies.

Physics↗
DOE OSTI2022

Reliably obtaining white light from layered halide perovskites at room temperature

The recent observation of broadband white-light emission from the inorganic sheets of certain layered lead-bromide perovskites has instigated a multitude of studies on this unusual phenomenon. However, the vast majority of layered bromide perovskites have flat (001) inorganic sheets and display a narrow photoluminescence at room temperature. A handful of heavily distorted (001) perovskites display broad emission, but to date, there is no method of predicting which perovskites will produce white light at room temperature prior to screening different organic molecules that can template 2D perovskites and crystallizing and analyzing the material. By studying ten Pb–Cl perovskites, we find that they all exhibit a broad yellow emission, which is strikingly invariant despite different distortions in the inorganic framework seen across the series. We postulate that this broad emission is intrinsic to all layered Pb–Cl perovskites. Although broad, the emission is not white. By adding Br to the Pb–Cl perovskites we obtain both the narrow emission and the broad emission such that the combined emission color smoothly varies from yellow to warm white to cold white as a function of the halide ratio. Thus, alloying Br to Pb–Cl perovskites appears to be a simple and general strategy for reliably obtaining white light at room temperature from (001) perovskites, regardless of the templating effects of the organic molecules, which should greatly expand the number of white-light-emitting layered perovskites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Symmetries and multiferroic properties of novel room-temperature magnetoelectrics: Lead iron tantalate – lead zirconate titanate (PFT/PZT)

Mixing 60-70% lead zirconate titanate with 40-30% lead iron tantalate produces a single-phase, low-loss, room-temperature multiferroic with magnetoelectric coupling: (PbZr₀.₅₃Ti₀.₄₇O₃) (1-x) - (PbFe₀.₅Ta₀.₅O₃) x . The present study combines x-ray scattering, magnetic and polarization hysteresis in both phases, plus a second-order dielectric divergence (to epsilon = 6000 at 475 K for 0.4 PFT; to 4000 at 520 K for 0.3 PFT) for an unambiguous assignment as a C 2v -C 4v (Pmm2-P4mm) transition. The material exhibits square saturated magnetic hysteresis loops with 0.1 emu/g at 295 K and saturation polarization Pr = 25 μC/cm², which actually increases (to 40 μC/cm²) in the high-T tetragonal phase, representing an exciting new room temperature oxide multiferroic to compete with BiFeO₃. Additional transitions at high temperatures (cubic at T>1300 K) and low temperatures (rhombohedral or monoclinic at T<250 K) are found. These are the lowest-loss room-temperature multiferroics known, which is a great advantage for magnetoelectric devices.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Room temperature ferroelectric and magnetic investigations and detailed phase analysis of Aurivillius phase Bi{sub 5}Ti{sub 3}Fe{sub 0.7}Co{sub 0.3}O{sub 15} thin films

Aurivillius phase Bi{sub 5}Ti{sub 3}Fe{sub 0.7}Co{sub 0.3}O{sub 15} (BTF7C3O) thin films on {alpha}-quartz substrates were fabricated by a chemical solution deposition method and the room temperature ferroelectric and magnetic properties of this candidate multiferroic were compared with those of thin films of Mn{sup 3+} substituted, Bi{sub 5}Ti{sub 3}Fe{sub 0.7}Mn{sub 0.3}O{sub 15} (BTF7M3O). Vertical and lateral piezoresponse force microscopy (PFM) measurements of the films conclusively demonstrate that BTF7C3O and BTF7M3O thin films are piezoelectric and ferroelectric at room temperature, with the major polarization vector in the lateral plane of the films. No net magnetization was observed for the in-plane superconducting quantum interference device (SQUID) magnetometry measurements of BTF7M3O thin films. In contrast, SQUID measurements of the BTF7C3O films clearly demonstrated ferromagnetic behavior, with a remanent magnetization, B{sub r}, of 6.37 emu/cm{sup 3} (or 804 memu/g), remanent moment = 4.99 Multiplication-Sign 10{sup -5} emu. The BTF7C3O films were scrutinized by x-ray diffraction, high resolution transmission electron microscopy, scanning transmission electron microscopy, and energy dispersive x-ray analysis mapping to assess the prospect of the observed multiferroic properties being intrinsic to the main phase. The results of extensive micro-structural phase analysis demonstrated that the BTF7C3O films comprised of a 3.95% Fe/Co-rich spinel phase, likely CoFe{sub 2-x}Ti{sub x}O{sub 4}, which would account for the observed magnetic moment in the films. Additionally, x-ray magnetic circular dichroism photoemission electron microscopy (XMCD-PEEM) imaging confirmed that the majority of magnetic response arises from the Fe sites of Fe/Co-rich spinel phase inclusions. While the magnetic contribution from the main phase could not be determined by the XMCD-PEEM images, these data however imply that the Bi{sub 5}Ti{sub 3}Fe{sub 0.7}Co{sub 0.3}O{sub 15} thin films are likely not single phase multiferroics at room temperature. The PFM results presented demonstrate that the naturally 2D nanostructured Bi{sub 5}Ti{sub 3}Fe{sub 0.7}Co{sub 0.3}O{sub 15} phase is a novel ferroelectric and has potential commercial applications in high temperature piezoelectric and ferroelectric memory technologies. The implications for the conclusive demonstration of ferroelectric and ferromagnetic properties in single-phase materials of this type are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Room-temperature magnetoelectric coupling in single-phase BaTiO{sub 3}-BiFeO{sub 3} system

In this paper, single-phase multiferroic ceramics of (1 - x) BaTiO{sub 3}-x BiFeO{sub 3} (BT - x BFO) were synthesized by solid-solution method in the wide range of material composition (x = 0.025 - 1.0). The changes in crystal structure were confirmed via X-ray diffractions (XRD) and atomic pair distribution functions (PDFs). The room-temperature ME coupling was found to exhibit significant magnitude in the narrow composition window (x = 0.71 - 0.8) where the average crystal structure was found to be rhombohedral. Especially, the BT - 0.725 BFO ceramics containing local monoclinic distortions within rhombohedral phase were found to exhibit high room-temperature ME coefficient ({alpha}{sub ME}) of 0.87 mV/cm{center_dot}Oe with high piezoelectric properties (g{sub 33} = 18.5 Multiplication-Sign 10 mV m N{sup -1} and d{sub 33} = 124 pC N{sup -1}). We believe that the high room-temperature ME coupling in single-phase lead-free BT-BFO ceramics provides a possibility of developing electrically or magnetically tunable thin-film devices.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Room temperature multiferroic properties of Pb(Fe{sub 0.5}Nb{sub 0.5})O{sub 3}–Co{sub 0.65}Zn{sub 0.35}Fe{sub 2}O{sub 4} composites

We report the crystal structure, magnetic, ferroelectric, dielectric, and magneto-dielectric properties of [Pb(Fe{sub 0.5}Nb{sub 0.5})O{sub 3}]{sub (1−x)}[Co{sub 0.65}Zn{sub 0.35}Fe{sub 2}O{sub 4}]{sub x}: (x = 0.1, 0.2, 0.3, and 0.4) composites. Rietveld refinement results of X-ray diffraction patterns confirm the formation of these composites for all x values. All the composites show well-saturated ferroelectric and ferromagnetic hysteresis (multiferroic-composite behavior) at room temperature. With increase in Co{sub 0.65}Zn{sub 0.35}Fe{sub 2}O{sub 4} (CZFO) content an increase in saturation magnetization, and decrease in saturation polarization, remanent polarization, and dielectric constant are observed. The ferroelectric phase transition temperature increases with increase in CZFO content. All of the compositions undergo second-order ferroelectric phase transitions, which can be explained by Landau-Devonshire theory. The recoverable energy density (∼0.20 to 0.04 J/cm{sup 3}) and charge-curve energy density (∼0.84 to 0.11 J/cm{sup 3}) decrease with increase in the CZFO content. The room-temperature magneto-dielectric measurements provide direct evidence of magneto-electric coupling via strain at room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Room temperature dielectric and magnetic properties of Gd and Ti co-doped BiFeO{sub 3} ceramics

Room temperature dielectric and magnetic properties of BiFeO{sub 3} samples, co-doped with magnetic Gd and non-magnetic Ti in place of Bi and Fe, respectively, were reported. The nominal compositions of Bi{sub 0.9}Gd{sub 0.1}Fe{sub 1–x}Ti{sub x}O{sub 3} (x = 0.00-0.25) ceramics were synthesized by conventional solid state reaction technique. X-ray diffraction patterns revealed that the substitution of Fe by Ti induces a phase transition from rhombohedral to orthorhombic at x > 0.20. Morphological studies demonstrated that the average grain size was reduced from ∼1.5 μm to ∼200 nm with the increase in Ti content. Due to Ti substitution, the dielectric constant was stable over a wide range of high frequencies (30 kHz to 20 MHz) by suppressing the dispersion at low frequencies. The dielectric properties of the compounds are associated with their improved morphologies and reduced leakage current densities probably due to the lower concentration of oxygen vacancies in the compositions. Magnetic properties of Bi{sub 0.9}Gd{sub 0.1}Fe{sub 1–x}Ti{sub x}O{sub 3} (x = 0.00-0.25) ceramics measured at room temperature were enhanced with Ti substitution up to 20% compared to that of pure BiFeO{sub 3} and Ti undoped Bi{sub 0.9}Gd{sub 0.1}FeO{sub 3} samples. The enhanced magnetic properties might be attributed to the substitution induced suppression of spiral spin structure of BiFeO{sub 3}. An asymmetric shifts both in the field and magnetization axes of magnetization versus magnetic field curves was observed. This indicates the presence of exchange bias effect in these compounds notably at room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Local magnetoresistance in Fe/MgO/Si lateral spin valve at room temperature

Room temperature local magnetoresistance in two-terminal scheme is reported. By employing 1.6 nm-thick MgO tunnel barrier, spin injection efficiency is increased, resulting in large non-local magnetoresistance. The magnitude of the non-local magnetoresistance is estimated to be 0.0057 Ω at room temperature. As a result, a clear rectangle signal is observed in local magnetoresistance measurement even at room temperature. We also investigate the origin of local magnetoresistance by measuring the spin accumulation voltage of each contact separately.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Room temperature spin transport in undoped (110) GaAs/AlGaAs quantum wells

We are reporting on our first observation of a micrometer-order electron spin transport in a (110) GaAs/AlGaAs multiple quantum well (QW) at room temperature using a space- and time-resolved Kerr rotation technique. A 37-μm transport was observed within an electron spin lifetime of 1.2 ns at room temperature when using an in-plane electric field of 1.75 kV/cm. The spatio-temporal profiles of electron spins were well reproduced by the spin drift-diffusion equations coupled with the Poisson equation, supporting the validity of the measurement. The results suggest that (110) QWs are useful as a spin transport layer for semiconductor spintronic devices operating at room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗