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Results for “Polar Metals”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Altermagnetic polar metallic phase in ultrathin epitaxially strained RuO 2 films

Altermagnetism refers to a wide class of magnetic orders featuring magnetic sublattices with opposite spins related by rotational symmetries, resulting in nontrivial spin splitting and magnetic multipoles. However, the direct observation of the altermagnetic transition remains elusive. Here, by combining theoretical analysis, electrical transport, X-ray, and optical spectroscopies, we establish a phase diagram in hybrid molecular beam epitaxy-grown RuO 2 /TiO 2 (110) films, mapping symmetries along with altermagnetic/electronic/structural phase transitions as functions of film thickness and temperature. This features an altermagnetic metallic polar phase in epitaxially strained 2 nm films, suggesting a potential link between polar metals and altermagnetic materials. Such a clear signature of a magnetic phase transition at ~500 K is observed exclusively in ultrathin strained films, unlike in bulk RuO 2 single crystals. These results highlight the power of epitaxial heterostructure engineering to induce altermagnetism in systems initially nonmagnetic, opening avenues for realizing emergent quantum phases with multifunctional properties.

RuO2 thin film↗
DOE OSTI2020

Dynamic Nuclear Polarization of Metal-Doped Oxide Glasses: A Test of the Generality of Paramagnetic Metal Polarizing Agents

Nuclear magnetic resonance (NMR) spectroscopy can provide unique, atomic-level insights into the structure and dynamics of materials, but its applications are impeded by the intrinsically low sensitivity. Dynamic nuclear polarization (DNP) is poised to overcome this limitation, and indeed has revolutionized the study of surfaces; however, the current approaches are ill-suited for bulk solids. One potential pathway toward the hyperpolarization of bulk solids by DNP is through the inclusion of paramagnetic metal ions that can serve as polarizing agents. Here, we compared the relative performance of two such dopants, Mn 2+ and Gd 3+ , in three series of oxide glasses having chemical environments representative of those found in other crystalline and amorphous solids. In our studies, Gd 3+ outperformed Mn 2+ , consistently providing more than one order of magnitude greater time savings. We attributed this difference mainly to the lack of hyperfine interaction to 55 Mn.

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

Spin-phonon resonances in nearly polar metals with spin-orbit coupling

In metals in the vicinity of a polar transition, interactions between electrons and soft phonon modes remain to be determined. Here we explore the consequences of spin-orbit assisted electron-phonon coupling on the collective modes of such nearly polar metals in the presence of magnetic field. We find that the soft polar phonon hybridizes with spin-flip electronic excitations of the Zeeman-split bands leading to an anticrossing. The associated energy splitting allows for an unambiguous determination of the strength of the spin-orbit mediated coupling to soft modes in polar metals by spectroscopic experiments. Here, the approach to the polar transition is reflected by the softening of the effective g factor of the hybridized spin-flip mode. Analyzing the static limit, we find that the polar order parameter can be oriented by magnetic field. This provides possibilities for alternative switching protocols in polar metallic materials. We demonstrate that the effects we predict can be observed with current experimental techniques and discuss promising material candidates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Multiband Quantum Criticality of Polar Metals

Motivated by recent experimental realizations of polar metals with broken inversion symmetry, we explore the emergence of strong correlations driven by criticality when the polar transition is tuned to zero. Overcoming previously discussed challenges, we illustrate a robust mechanism for coupling between the critical mode and electrons in multiband metals. Furthermore, we identify and characterize several novel interacting phases, including non-Fermi liquids, when band crossings are close to the Fermi level and present their experimental signatures for three generic types of band crossings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Polarized metal–metal multiple bonding and reactivity of phosphinoamide-bridged heterobimetallic group IV/cobalt compounds

Heterobimetallic complexes are studied for their ability to mimic biological systems as well as active sites in heterogeneous catalysts. While specific interest in early/late heterobimetallic systems has fluctuated, they serve as important models to fundamentally understand metal–metal bonding. Specifically, the polarized metal–metal multiple bonds formed in highly reduced early/late heterobimetallic complexes exemplify how each metal modulates the electronic environment and reactivity of the complex as a whole. In this Perspective, we chronicle the development of phosphinoamide-supported group IV/cobalt heterobimetallic complexes. This combination of metals allows access to a low valent Co −I center, which performs a rich variety of bond activation reactions when coupled with the pendent Lewis acidic metal center. Conversely, the low valent late transition metal is also observed to act as an electron reservoir, allowing for redox processes to occur at the d 0 group IV metal site. Most of the bond activation reactions carried out by phosphinoamide-bridged M/Co −I (M = Ti, Zr, Hf) complexes are facilitated by cleavage of metal–metal multiple bonds, which serve as readily accessible electron reservoirs. Comparative studies in which both the number of buttressing ligands as well as the identity of the early metal were varied to give a library of heterobimetallic complexes are summarized, providing a thorough understanding of the reactivity of M/Co −I heterobimetallic systems

Hunter, Nathanael H.↗
DOE OSTI2023

Phonon-induced collective modes in spin-orbit coupled polar metals

We study the interplay between collective electronic and lattice modes in polar metals in an applied magnetic field aligned with the polar axis. Static spin-orbit coupling leads to the appearance of a particle-hole spin-flip continuum that is gapped at low energies in a finite field. We find that a weak spin-orbit assisted coupling between electrons and polar phonons induces the emergence of electronic collective modes. The strength of the applied magnetic field tunes the number of modes and their energies, which can lie both above and below the particle-hole continuum. For a range of field values, we identify Fano-type interference between the electronic continuum and phonons. Here, we show that signatures of these collective modes can be observed in optical spectroscopy experiments, and we provide the corresponding theoretical predictions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Superconductivity from energy fluctuations in dilute quantum critical polar metals

Abstract Superconductivity in low carrier density metals challenges the conventional electron-phonon theory due to the absence of retardation required to overcome Coulomb repulsion. Here we demonstrate that pairing mediated by energy fluctuations, ubiquitously present close to continuous phase transitions, occurs in dilute quantum critical polar metals and results in a dome-like dependence of the superconducting T c on carrier density, characteristic of non-BCS superconductors. In quantum critical polar metals, the Coulomb repulsion is heavily screened, while the critical transverse optical phonons decouple from the electron charge. In the resulting vacuum, long-range attractive interactions emerge from the energy fluctuations of the critical phonons, resembling the gravitational interactions of a chargeless dark matter universe. Our estimates show that this mechanism may explain the critical temperatures observed in doped SrTiO 3 . We provide predictions for the enhancement of superconductivity near polar quantum criticality in two- and three-dimensional materials that can be used to test our theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Pressure-induced ferroelectric-like transition creates a polar metal in defect antiperovskites Hg3Te2X2 (X = Cl, Br)

Abstract Ferroelectricity is typically suppressed under hydrostatic compression because the short-range repulsions, which favor the nonpolar phase, increase more rapidly than the long-range interactions, which prefer the ferroelectric phase. Here, based on single-crystal X-ray diffraction and density-functional theory, we provide evidence of a ferroelectric-like transition from phase I 2 1 3 to R 3 induced by pressure in two isostructural defect antiperovskites Hg 3 Te 2 Cl 2 (15.5 GPa) and Hg 3 Te 2 Br 2 (17.5 GPa). First-principles calculations show that this transition is attributed to pressure-induced softening of the infrared phonon mode Γ 4 , similar to the archetypal ferroelectric material BaTiO 3 at ambient pressure. Additionally, we observe a gradual band-gap closing from ~2.5 eV to metallic-like state of Hg 3 Te 2 Br 2 with an unexpectedly stable R 3 phase even after semiconductor-to-metal transition. This study demonstrates the possibility of emergence of polar metal under pressure in this class of materials and establishes the possibility of pressure-induced ferroelectric-like transition in perovskite-related systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Catalytic Reactions by Heterobimetallic Carbonyl Complexes with Polar Metal–Metal Interactions

Abstract Heterobinuclear catalysts capable of bimetallic cooperative bond activation provide an alternative pathway to approach the discovery of novel and unique reactivity and selectivity in catalytic transformations, complementing more traditional mononuclear precious metal catalysts. This review summarizes recent advances in homogenous catalysis using heterobimetallic carbonyl catalysts with polar metal–metal interactions. 1 Introduction 2 Hydrogenation and Hydrofunctionalization 3 Carbonylation and Carboxylation 4 Oxidative Transformations 5 Conclusion and Outlook

Chemistry↗
DOE OSTI2025

d -Electron Heavy Fermion Behavior in a Near-Room-Temperature Polar Metallic Ferrimagnet: A Case of Mn 5 SiC

Polycrystalline Mn 5 SiC was synthesized by using a high-temperature solid-state method. Mn 5 SiC adopts a polar space group (Cmc2 1 ) with six crystallographic Mn sites confirmed by X-ray and neutron diffraction, transmission electron microscopy, and second harmonic generation experiments. The complex crystal structure features edge-sharing trigonal prisms and icosahedra, as well as face/edge-sharing pentagonal prisms. Magnetic measurements indicate ferrimagnetic ordering with a transition temperature of 284 K. The ferrimagnetic structure (magnetic space group Cm’c’2 1 ) was further identified by powder neutron diffraction, where collinear Mn spins align along the crystallographic c-axis. The refined magnetic moment for each crystallographic Mn site at 4 K is 1.8(2), −2.42(9), −1.72(8), 0.51(6), 0.50(4), and 1.7(2) μ B . Density functional theory calculations confirm both the metallic behavior and the ferrimagnetic structure observed experimentally and further provide insight into the observed Mn moment dependence across crystallographic sites. The resistivity and specific heat measurements and density functional theory calculations reveal a substantially large Kadowaki–Woods ratio of 5 × 10 –5 μΩ·cm/(mJ/mol) 2 and a many-body renormalization factor of 5.5, indicating the unusual heavy Fermion behavior in such an itinerant magnetic metal.

Messegee, Zachary T. [George Mason University, Fai↗
DOE OSTI2023

Strong electron-phonon coupling driven pseudogap modulation and density-wave fluctuations in a correlated polar metal

Abstract There is tremendous interest in employing collective excitations of the lattice, spin, charge, and orbitals to tune strongly correlated electronic phenomena. We report such an effect in a ruthenate, Ca 3 Ru 2 O 7 , where two phonons with strong electron-phonon coupling modulate the electronic pseudogap as well as mediate charge and spin density wave fluctuations. Combining temperature-dependent Raman spectroscopy with density functional theory reveals two phonons, B 2 P and B 2 M , that are strongly coupled to electrons and whose scattering intensities respectively dominate in the pseudogap versus the metallic phases. The B 2 P squeezes the octahedra along the out of plane c -axis, while the B 2 M elongates it, thus modulating the Ru 4d orbital splitting and the bandwidth of the in-plane electron hopping; Thus, B 2 P opens the pseudogap, while B 2 M closes it. Moreover, the B 2 phonons mediate incoherent charge and spin density wave fluctuations, as evidenced by changes in the background electronic Raman scattering that exhibit unique symmetry signatures. The polar order breaks inversion symmetry, enabling infrared activity of these phonons, paving the way for coherent light-driven control of electronic transport.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A room temperature polar magnetic metal

The emergence of long-range magnetic order in noncentrosymmetric compounds has stimulated interest in the possibility of exotic spin transport phenomena and topologically protected spin textures for applications in next-generation spintronics. Polar magnets, with broken symmetries of spatial inversion and time reversal, usually host chiral spin textures. This work reports on a wurtzite-structure polar magnetic metal, identified as AA'-stacked (Fe 0.5 Co 0.5 ) 5 GeTe 2 , which exhibits a Néel-type skyrmion lattice as well as a Rashba-Edelstein effect at room temperature. Atomic resolution imaging of the structure reveals a structural transition as a function of Co-substitution, leading to the emergence of the polar phase at 50% Co. We report this discovery reveals an unprecedented layered polar magnetic system for investigating intriguing spin topologies, and it ushers in a promising new framework for spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Liquid metal-based polarized positron generation benchmark using the GEANT4 toolkit

In this work, we report simulation results for the positron yield and polarization of polarized electron beams incident on GaInSn and PbBi liquid metal targets. One of the proposed upgrades to 12 GeV CEBAF is the use of a continuous wave polarized positron beam for physics experiments. High-Z liquid metal jets are excellent candidates for positron production targets because they can withstand high power beams. Polarized positron beams can be generated from a primary electron beam incident to thick high-Z targets through circular polarized bremsstrahlung conversion to linearly polarized pair production. This polarization transfer from the primary electron beam has been previously demonstrated at Jefferson Lab in the PEPPo experiment with a tungsten target at relatively low energies. Here we report Geant4 simulations for 10 and 120 MeV electron beams incident on GaInSn and PbBi liquid metal targets. These simulations are compared to simulations with a solid tungsten target, as well as with unpolarized simulations using MCNP6.

Lizarraga-Rubio, Victor Manuel↗
DOE OSTI2025

Domain Nucleation and Growth in an Epitaxially Grown Wurtzite Ferroelectric

Ferroelectric domain nucleation and growth in epitaxial (Al, B, Sc)N films grown on n-GaN substrates are explored using a combination of ferroelectric property measurements and scanning transmission electron microscopy, including novel in situ switching studies. The films are electrically switched to nitrogen-polar (N-polar) and metal-polar (M-polar) configurations, attaining a remanent polarization of 120 µC cm −2 with coercive fields of ≈6 MV cm −1 . In the initial switching cycle, the ferroelectric domains nucleate near the bottom n-GaN electrode and develop domain walls with zigzag morphologies, while residual “dead layers” that do not switch from the as-deposited orientation persist at the top and bottom electrodes. The in situ microscopy experiments reveal that domain walls propagate fastest in the lateral direction, parallel to the electrode/film interface. These findings provide insights into the domain dynamics and structural evolution of wurtzite ferroelectrics, offering implications for next-generation electronic devices.

36 MATERIALS SCIENCE↗