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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Effect of canted antiferromagnetic order on the electronic structure in the t–J* model within the cluster perturbation theory

The electronic structure in the two-dimensional t–J* model with canted antiferromagnetic order in an external magnetic field has been calculated within the cluster perturbation theory. In zero external field, the evolution of the Fermi surface with n-type doping has been obtained in good agreement with experimental data on cuprate superconductors. It has been shown that the inclusion of short-range correlations can result in a nonmonotonic dependence of the spectral weight distribution at the Fermi level on the external magnetic field. In contrast to the case of electron doping, such changes in the case of hole doping can be expected at experimentally achievable fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Enhanced superconductivity in surface-electron-doped iron pnictide Ba(Fe 1.94 Co 0.06 ) 2 As 2

The transition critical temperature (TC ) in a FeSe monolayer on SrTiO 3 is enhanced up to 100 K. High TC is also found in bulk iron chalcogenides with similar electronic structure to that of monolayer FeSe, which suggests that higher TC may be achieved through electron doping, pushing the Fermi surface (FS) topology towards leaving only electron pockets. Such observation, however, has been limited to chalcogenides and is in contrast with the iron pnictides for which the maximum TC is achieved with both hole and electron pockets forming considerable FS nesting instability. Here, we report angle-resolved photoemission (ARPES) characterization revealing a monotonic increase of TC from 24 to 41.5 K upon surface doping on optimally doped Ba(Fe 1-x Co x ) 2 As 2 . The doping changes the overall FS topology towards that of chalcogenides through a rigid downward band shift. Our findings suggest that higher electron doping and concomitant changes in FS topology are favorable conditions for the superconductivity, not only for iron chalcogenides but also for iron pnictides.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Transient thermal and nonthermal electron and phonon relaxation after short-pulsed laser heating of metals

Several dynamic thermal and nonthermal scattering processes affect ultrafast heat transfer in metals after short-pulsed laser heating. Even with decades of measurements of electron-phonon relaxation, the role of thermal vs. nonthermal electron and phonon scattering on overall electron energy transfer to the phonons remains unclear. In this work, we derive an analytical expression for the electron-phonon coupling factor in a metal that includes contributions from equilibrium and nonequilibrium distributions of electrons. While the contribution from the nonthermal electrons to electron-phonon coupling is non-negligible, the increase in the electron relaxation rates with increasing laser fluence measured by thermoreflectance techniques cannot be accounted for by only considering electron-phonon relaxations. We conclude that electron-electron scattering along with electron-phonon scattering have to be considered simultaneously to correctly predict the transient nature of electron relaxation during and after short-pulsed heating of metals at elevated electron temperatures. Furthermore, for high electron temperature perturbations achieved at high absorbed laser fluences, we show good agreement between our model, which accounts for d-band excitations, and previous experimental data. Our model can be extended to other free electron metals with the knowledge of the density of states of electrons in the metals and considering electronic excitations from non-Fermi surface states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Dynamic conductivity of the bulk states of n-type HgTe/CdTe quantum well topological insulator

We theoretically studied the frequency-dependent current response of the bulk state of topological insulator HgTe/CdTe quantum well. The optical conductivity is mainly due to the inter-band process at high frequencies. At low frequencies, intra-band process dominates with a dramatic drop to near zero before the inter-band contribution takes over. The conductivity decreases with temperature at low temperature and increases with temperature at high temperature. The transport scattering rate has an opposite frequency dependence in the low and high temperature regime. The different frequency dependence is due to the interplay of the carrier-impurity scattering and carrier population near the Fermi surface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Anisotropic strain induced directional metallicity in highly epitaxial LaBaCo 2 O 5.5+δ thin films on (110) NdGaO 3

Highly directional-dependent metal-insulator transition is observed in epitaxial double perovskite LaBaCo 2 O 5.5+δ films. The film exhibit metallic along [100], but remain semiconducting along [010] under application of a magnetic field parallel to the surface of the film. The physical origin for the properties is identified as in-plane tensile strain arising from oxygen vacancies. First-principle calculations suggested the tensile strain drastically alters the band gap, and the vanishing gap opens up [100] conduction channels for Fermi-surface electrons. Lastly, our observation of strain-induced highly directional-dependent metal-insulator transition may open up new dimension for multifunctional devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Resolution of the discrepancy between the variation of the physical properties of Ce 1- x Yb x CoIn 5 single crystals and thin films with Yb composition

The extraordinary electronic phenomena including an Yb valence transition, a change in Fermi surface topology, and suppression of the heavy fermion quantum critical field at a nominal concentration x≈0.2 have been found in the Ce 1- x Yb x CoIn 5 system. These phenomena have no discernable effect on the unconventional superconductivity and normal-state non-Fermi liquid behaviour that occur over a broad range of x up to ~0.8. However, the variation of the coherence temperature T* and the superconducting critical temperature T c with nominal Yb concentration x for bulk single crystals is much weaker than that of thin films. To determine whether differences in the actual Yb concentration of bulk single crystals and thin film samples might be responsible for these discrepancies, we employed Vegard’s law and the spectroscopically determined values of the valences of Ce and Yb as a function of x to determine the actual composition x act of bulk single crystals. This analysis is supported by energy-dispersive X-ray spectroscopy, wavelength-dispersive X-ray spectroscopy, and transmission X-ray absorption edge spectroscopy measurements. The actual composition x act is found to be about one-third of the nominal concentration x up to x~0.5, and resolves the discrepancy between the variation of the physical properties of Ce 1- x Yb x CoIn 5 single crystals and thin films with Yb concentration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Giant resistance switch in twisted transition metal dichalcogenide tunnel junctions

Resistance switching in multilayer structures are typically based on materials possessing ferroic orders. Here, in this work, we predict an extremely large resistance switching based on the relative spin–orbit splitting in twisted transition metal dichalcogenide (TMD) monolayers tunnel junctions. Because of the valence band spin splitting which depends on the valley index in the Brillouin zone, the perpendicular electronic transport through the junction depends on the relative reciprocal space overlap of the spin-dependent Fermi surfaces of both layers, which can be tuned by twisting one layer. Our quantum transport calculations reveal a switching resistance larger than 10 6 % when the relative alignment of TMDs goes from 0° to 60° and when the angle is kept fixed at 60° and the Fermi level is varied. By creating vacancies, we evaluate how inter-valley scattering affects the efficiency and find that the resistance switching remains large (10 4 %) for typical values of vacancy concentration. Not only should this resistance switching be observed at room temperature due to the large spin splitting, but our results also show how twist angle engineering and control of van der Waals heterostructures could be used for next-generation memory and electronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Effect of band filling on anomalous Hall conductivity and magneto-crystalline anisotropy in NiFe epitaxial thin films

The anomalous Hall effect (AHE) and magneto-crystalline anisotropy (MCA) are investigated in epitaxial Ni{sub x}Fe{sub 1−x} thin films grown on MgO (001) substrates. The scattering independent term b of anomalous Hall conductivity shows obvious correlation with cubic magneto-crystalline anisotropy K{sub 1}. When nickel content x decreasing, both b and K{sub 1} vary continuously from negative to positive, changing sign at about x = 0.85. Ab initio calculations indicate Ni{sub x}Fe{sub 1−x} has more abundant band structures than pure Ni due to the tuning of valence electrons (band fillings), resulting in the increased b and K{sub 1}. This remarkable correlation between b and K{sub 1} can be attributed to the effect of band filling near the Fermi surface.

36 MATERIALS SCIENCE↗
DOE OSTI2019

The hierarchy of excitation lifetimes in two-dimensional Fermi gases

Momentum-conserving quasiparticle collisions in two-dimensional Fermi gases give rise to a large family of exceptionally long-lived excitation modes. The lifetimes of these modes exceed by a factor (T{sub F}∕T){sup 2}≫1 the conventional Landau Fermi-liquid lifetimes τ∼T{sub F}∕T{sup 2}. The long-lived modes have a distinct angular structure, taking the form of cosmθ and sinmθ with odd m values for a circular Fermi surface, with relaxation rate dependence on m of the form m{sup 4}logm, valid at not-too-large m. In contrast, the even-m harmonics feature conventional lifetimes with a weak m dependence. The long-time dynamics, governed by these modes, occurs at “non-Fermi-liquid” timescales, taking values as large as τ∼T{sub F}{sup 3}∕T{sup 4}. The hierarchy of timescales, short and long, leads to unusual long-time memory effects, defining an intriguing transport regime that lies between the conventional ballistic and hydrodynamic regimes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Pairing, pseudogap and Fermi arcs in cuprates

We use Angle Resolved Photoemission Spectroscopy (ARPES) to study the relationship between the pseudogap, pairing and Fermi arcs in cuprates. High quality data measured over a wide range of dopings reveals a consistent picture of Fermiology and pairing in these materials. The pseudogap is due to an ordered state that competes with superconductivity rather than preformed pairs. Pairing does occur below T pair ~ 150K and significantly above T c , but well below T* and the doping dependence of this temperature scale is distinct from that of the pseudogap. The d-wave gap is present below T pair , and its interplay with strong scattering creates “artificial” Fermi arcs for T c ≤ T ≤ T pair . However, above T pair , the pseudogap exists only at the antipodal region. This leads to presence of real, gapless Fermi arcs close to the node. The length of these arcs remains constant up to T*, where the full Fermi surface is recovered. As a result, we demonstrate that these findings resolve a number of seemingly contradictory scenarios.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Physics-Informed Machine-Learning Prediction of Curie Temperatures and Its Promise for Guiding the Discovery of Functional Magnetic Materials

High-performance permanent magnets with a high Curie temperature, containing less critical materials, are integral to zero-carbon energy solutions. We built a machine-learning model trained over available experimentally measured Curie temperature values to predict the T C of multicomponent magnetic materials. We chose two compositions from a pseudo-binary (Zr 1–x Ce x )Fe 2 system, namely, (Zr 0.16 Ce 0.84 )Fe 2 and (Zr 0.94 Ce 0.06 )Fe 2 , to experimentally validate the ability of our model to predict the Curie temperature of novel compounds. We also provided a detailed discussion on the correlation of the Curie temperature with the de Gennes scaling factor in rare-earth intermetallic compounds and its breakdown below a certain rare-earth content. The electronic structure calculations (density of states and Fermi surface) were performed using the density functional theory on selected compounds (Zr 0.16 Ce 0.84 )Fe 2 and (Zr 0.94 Ce 0.06 )Fe 2 to understand the electronic origin of a strong magnetic exchange. We found that the change in the electronic density of states and electron/hole fillings at the Fermi level directly correlate with the Curie temperature. Notably, our model was able to capture these key electronic structure trends, which show that physics-informed machine learning can play a crucial role in designing new high-performance magnets with improved properties for environmentally sustainable applications.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Gaps and pseudogaps in perovskite rare earth nickelates

We report on tunneling measurements that reveal the evolution of the quasiparticle state density in two rare earth perovskite nickelates, NdNiO{sub 3} and LaNiO{sub 3}, that are close to a bandwidth controlled metal to insulator transition. We measure the opening of a sharp gap of ∼30 meV in NdNiO{sub 3} in its insulating ground state. LaNiO{sub 3}, which remains a correlated metal at all practical temperatures, exhibits a pseudogap of the same order. The results point to both types of gaps arising from a common origin, namely, a quantum critical point associated with the T = 0 K metal-insulator transition. The results support theoretical models of the quantum phase transition in terms of spin and charge instabilities of an itinerant Fermi surface.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Magnetoresistance reversal in antiperovskite compound Mn{sub 3}Cu{sub 0.5}Zn{sub 0.5}N

We report detailed investigations of the structure, magnetic properties, electronic transport, and specific heat in Mn-based antiperovskite compounds Mn{sub 3}Cu{sub 0.5}Zn{sub 0.5}N. Most strikingly, there are several fascinating features: (i) The magnetoresistance at 30 kOe (40 kOe) exceeds ∼1% (∼2%) over a temperature span of ∼70 K (∼25 K) from 5 to 140 K; (ii) magnetoresistance fluctuates at temperatures of 100–200 K, including an obvious sign reversal from negative to positive at ∼140 K. Analysis of the specific heat reveals that the magnetoresistance reversal may originate from the reconstruction of the Fermi surface accompanying an antiferromagnetic-ferromagnetic transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Synthesis, transport properties, and electronic structure of Cu{sub 2}CdSnTe{sub 4}

A new stannite phase was synthesized and its temperature dependent transport properties were investigated. Cu{sub 2}CdSnTe{sub 4} possesses strong p-type conduction, while the temperature dependence of the thermal conductivity exhibits typical dielectric behavior. Electronic structure calculations allowed for a description of the transport characteristics in terms the energy band structure, density of states, and Fermi surface. The potential for thermoelectric applications is also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2013

On the origin of the low temperatures resistivity minimum in Cr thin films

We present measurements of the electrical resistivity and Hall coefficient, ρ and R{sub H}, in Cr films of different thicknesses grown on MgO (100) substrates, as a function of temperature T and applied magnetic field H. The results show a low temperature minimum in ρ(T), which is thickness dependent. From 40 K to 2 K, the Hall coefficient is a monotonous increasing function as T is reduced with no particular signature at the temperature T{sub min} where the minimum develops. We explain the resistivity minimum assuming an imperfect nesting of the Fermi surface leading to small electron and hole pockets. We introduce a phenomenological model which supports this simple physical picture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Doping SrTiO 3 supported FeSe by excess atoms and oxygen vacancies

Photoemission studies of FeSe monolayer films on SrTiO 3 substrate have shown electronic structures that deviate from pristine FeSe, consistent with heavy electron doping. With the help of first-principles calculations we studied the effect of excess Fe and Se atoms on the monolayer and oxygen vacancies in the substrate in order to understand the reported Fermi surface in this system. We find that both excess Fe and Se atoms prefer the same adsorption site above the bottom Se atoms on the monolayer. The adsorbed Fe is strongly magnetic and contributes electrons to the monolayer, while excess Se hybridizes with the monolayer Fe-d states and partially opens a gap just above the Fermi energy. We also find that the two-dimensional electron gas generated by the oxygen vacancies is partly transferred to the monolayer and can potentially suppress the hole pockets around the Γ point. Furthermore, both O vacancies in the SrTiO 3 substrate and excess Fe over the monolayer can provide high levels of electron doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Evidence of Incoherent Carriers Associated with Resonant Impurity Levels and Their Influence on Superconductivity in the Anomalous Superconductor Pb 1 - x Tl x Te

We present a combined experimental and theoretical study of the evolution of the Fermi surface of the anomalous superconductor Pb 1-x Tl x Te as a function of thallium concentration, drawing on a combination of magnetotransport measurements (Shubnikov–de Haas oscillations and the Hall coefficient), angle resolved photoemission spectroscopy, and density functional theory calculations of the electronic structure. Our results indicate that for Tl concentrations beyond a critical value, the Fermi energy coincides with resonant impurity states in Pb 1-x Tl x Te , and we rule out the presence of an additional valence band maximum at the Fermi energy. Finally, a comparison to nonsuperconducting Pb 1-x Na x Te implies that the presence of these impurity states at the Fermi energy provides the enhanced pairing interaction and thus also the anomalously high temperature superconductivity in this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Weyl Fermion magneto-electrodynamics and ultralow field quantum limit in TaAs

Topological semimetals are predicted to exhibit unconventional electrodynamics, but a central experimental challenge is singling out the contributions from the topological bands. TaAs is the prototypical example, where 24 Weyl points and 8 trivial Fermi surfaces make the interpretation of any experiment in terms of band topology ambiguous. We report magneto-infrared reflection spectroscopy measurements on TaAs. We observed sharp inter-Landau level transitions from a single pocket of Weyl Fermions in magnetic fields as low as 0.4 tesla. We determine the W2 Weyl point to be 8.3 meV below the Fermi energy, corresponding to a quantum limit—the field required to reach the lowest LL—of 0.8 tesla—unprecedentedly low for Weyl Fermions. LL spectroscopy allows us to isolate these Weyl Fermions from all other carriers in TaAs, and our result provides a way for directly exploring the more exotic quantum phenomena in Weyl semimetals, such as the chiral anomaly.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗