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At least 55 records · Page 3

Electron-phonon drag enhancement of transport properties from a fully coupled ab initio Boltzmann formalism

We present a combined treatment of the nonequilibrium dynamics and transport of electrons and phonons by carrying out ab initio calculations of the fully coupled electron and phonon Boltzmann transport equations. We find that the presence of mutual drag between the two carriers causes the thermopower to be enhanced and dominated by the transport of phonons, rather than electrons as in the traditional semiconductor picture. Drag also strongly boosts the intrinsic electron mobility, thermal conductivity and the Lorenz number. Impurity scattering is seen to suppress the drag enhancement of the thermal and electrical conductivities, while having weak effects on the enhancement of the Lorenz number and thermopower. We demonstrate these effects in n-doped 3C-SiC at room temperature, and explain their origins. This work establishes the roles of microscopic scattering mechanisms in the emergence of strong drag effects in the transport of the interacting electron-phonon gas.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Beyond Ohm's law: Bernoulli effect and streaming in electron hydrodynamics

Recent observations of nonlocal transport in ultraclean two-dimensional materials raised the tantalizing possibility of accessing hydrodynamic correlated transport of a many-electron state. However, it has been pointed out that nonlocal transport can also arise from impurity scattering rather than interaction. At the crux of the ambiguity is the focus on linear effects, i.e., Ohm's law, which cannot easily differentiate among different modes of transport. Furthermore we propose experiments that can reveal rich hydrodynamic features in the system by tapping into the nonlinearity of the Navier-Stokes equation. Three experiments we propose will each manifest a unique phenomenon that is well known in classical fluids: the Bernoulli effect, Eckart streaming, and Rayleigh streaming. Analysis of known parameters confirms that the proposed experiments are feasible and the hydrodynamic signatures are within reach of graphene-based devices. Experimental realization of any one of the three phenomena will provide a stepping stone to formulating and exploring the notions of nonlinear electron fluid dynamics with an eye to celebrated examples from classical nonlaminar flows, e.g., pattern formation and turbulence.

2-dimensional systems↗

Electron irradiation reveals robust fully gapped superconductivity in LaNiGa 2

The effects of 2.5-MeV electron irradiation were studied in the superconducting phase of single crystals of LaNiGa 2 , using measurements of electrical transport and radio-frequency magnetic susceptibility. The London penetration depth is found to vary exponentially with temperature, suggesting a fully gapped Fermi surface. The inferred superfluid density is close to that of a single-gap weak-coupling isotropic s – wave superconductor. Superconductivity is extremely robust against nonmagnetic point-like disorder induced by electron irradiation. Our results place strong constraints on the previously proposed triplet pairing state by requiring fine-tuned impurity scattering amplitudes and are most naturally explained by a sign-preserving, weak-coupling, and approximately momentum-independent singlet superconducting state in LaNiGa 2 , which does not break time-reversal symmetry. Finally, we discuss how our findings could be reconciled with previous measurements that indicated magnetic signatures in the superconducting phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electron Glass Phase with Resilient Zhang-Rice Singlets in LiCu 3 ⁢O 3

LiCu 3 ⁢O 3 is an antiferromagnetic mixed valence cuprate where trilayers of edge-sharing Cu(II)O (3⁢d 9 ) are sandwiched in between planes of Cu(I) (3⁢d 10 ) ions, with Li stochastically substituting Cu(II). Angle-resolved photoemission spectroscopy (ARPES) and density functional theory reveal two insulating electronic subsystems that are segregated in spite of sharing common oxygen atoms: a Cu d z 2 /O p z derived valence band (VB) dispersing on the Cu(I) plane, and a Cu 3⁢d x 2 -y 2 /O 2⁢p x,y derived Zhang-Rice singlet (ZRS) band dispersing on the Cu(II)O planes. First-principle analysis shows the Li substitution to stabilize the insulating ground state, but only if antiferromagnetic correlations are present. Li further induces substitutional disorder and a 2D electron glass behavior in charge transport, reflected in a large 530 meV Coulomb gap and a linear suppression of VB spectral weight at E F that is observed by ARPES. Surprisingly, the disorder leaves the Cu(II)-derived ZRS largely unaffected. Finally, this indicates a local segregation of Li and Cu atoms onto the two separate corner-sharing Cu⁡(II)⁢O 2 sub-lattices of the edge-sharing Cu(II)O planes, and highlights the ubiquitous resilience of the entangled two hole ZRS entity against impurity scattering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Physical properties and electronic structure of single-crystal KCo 2 As 2

We present a method for producing high quality KCo 2 As 2 crystals, stable in air and suitable for a variety of measurements. X-ray diffraction, magnetic susceptibility, electrical transport and heat capacity measurements confirm the high quality and an absence of long range magnetic order down to at least 2 K. Residual resistivity values approaching 0.25 µΩ cm are representative of the high quality and low impurity scattering, and a Sommerfeld coefficient γ = 7.3 mJ/mol K 2 signifies weaker correlations than the Fe-based counterparts. Together with Hall effect measurements, angle-resolved photoemission experiments reveal a Fermi surface consisting of electron pockets at the center and corner of the Brillouin zone, in line with theoretical predictions and in contrast to the mixed carrier types of other pnictides with the ThCr 2 Si 2 structure. A large, linear magnetoresistance of 200% at 14 T, together with an observed linear and hyperbolic, rather than parabolic, band dispersions are unusual characteristics of this compound.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Final Technical Report for DE-FG02-86ER45268

This work addresses several key issues for understanding the unusual superconductivity in IBS, already shown to be technologically useful materials. 1a). Are reactive gasses like fluorine, chlorine, or water vapor behaving simply as electron donors to cause the superconductivity (at T conset =21 K) in undoped IBS like BaFe 2 As 2 ? 1b). Does exposure to fluorine increase T c in electron-doped IBS materials that are underdoped, e. g. Ba(Fe 0.96 Co 0.04 ) 2 As 2 ? 1c). Can fluorine as a reactive electron-donor, with its relatively greater ease of introduction into the lattice, be used as a rapid tool to search for superconductivity in new materials under investigation? Method of investigation: Using electron probe microanalysis, x-ray photoemission spectroscopy, and dynamical mean field theory calculations, we found that fluorine substitutes for As in the BaFe 2 As 2 lattice, and should therefore behave as an electron donor. We will F-dope Ba(Fe 0.96 Co 0.04 ) 2 As 2 and several new compounds under investigation for superconductivity upon doping to determine fluorine’s effect. Potential impact: If – like for fluorine - a brief exposure to hydrogen indeed causes superconductivity to a depth of 10 microns, this technique could be useful in creating long lengths of superconducting tape without the chemical aggressiveness of fluorine. Using the F ion, which substitutes for As - away from the Fe planes, in underdoped IBS like Ba(Fe 0.96 Co 0.04 ) 2 As 2 may form optimally doped IBS with less impurity scattering of the superconducting Fe 3d electrons resulting in improved superconducting properties. Another potential impact is the speed of checking for superconductivity in new materials under investigation for superconductivity upon doping. 2. What are the effects of Be substitution into IBS, beginning with FeSe and its derivatives (FeSe 1-x S x and FeSe 1-x Te x ) and BaFe 2-x Co x As 2 ? Method of investigation: We recently succeeded in adding Be to the FeSe lattice and found, surprisingly, a factor of four improvement of the low temperature residual resistivity ratio, consistent with improved electronic ordering. Using single crystal x-ray diffraction and x-ray dispersive spectroscopy, determine the concentration and location of the Be dopant. Using resistivity, determine if there is improvement in the residual resistivity achieved by Be doping in the FeSe derivatives (using AlCl 3 :KCl flux growth) and Co-doped BaFe 2 As 2 (using self-flux single crystal growth). Measuring resistivity under strain, determine the changes of the nematic susceptibility at the structural ordering transition causes by the increase in electronic order caused by Be doping in FeSe. Potential impact: Further understanding of IBS, including FeSe which - under physical pressure - has a T c increase to 40 K and -prepared as a monolayer - has a T c reported to be over 100 K. 3. In collaboration, prepare light atom compounds involving Be and look for high pressure-induced superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electromagnetic Response of Superconducting RF Cavities

Recently reported anomalies in frequency shift of order δƒ ~ 0.1–10 kHz for Niobium SRF cavities in a narrow temperature region near T c ≃ 9 K are sensitive to the surface preparation and Nitrogen doping. We developed methods for calculating the surface current response of Nb SRF cavities, as well as the resonant frequency shift and quality factor, as functions of temperature, frequency and disorder based on the Keldysh formulation of the theory for nonequilibrium superconductivity coupled with Maxwell’s theory and boundary conditions for the response functions and electromagnetic field. We show that the anomaly is sensitive to impurity disorder. Our results for the anomaly in the frequency shift are in good agreement with experimental results for Nb with an anisotropic gap on the Fermi surface and inhomogeneous non-magnetic disorder. We also show that the quality factor as a function of the impurity scattering rate is maximum for in SRF cavities with intermediate disorder, ℏ/τΔ~O(1) with the maximum $Q$ decreasing with increasing frequency.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Fluctuation induced conductivity of superconductors above the transition temperature: Regularization of the Maki diagram

The Maki contribution to the conductivity above the superconducting transition temperature is regularized within the framework of the BCS theory. This is achieved through the renormalization of the impurity scattering vertex by inclusion of the effects of pair fluctuations. The conductivity is evaluated for a thin film. It depends only on the reduced temperature and the normal resistance per square. Fair agreement is found with Al films over a wide temperature range. Agreement is not found with experiments on Bi, Pb and Ga films, which apparently contain a strong additional pair-breaking effect. The temperature range in which interactions among fluctuations become important in the Maki conductivity is generally larger than that given by the Ginzburg criterion.

Keller, J.↗

Fluctuation-induced conductivity of superconductors above the transition temperature - Regularization of the Maki diagram.

The Maki contribution to the conductivity above the superconducting transition temperature is regularized within the framework of the BCS theory. This is achieved through the renormalization of the impurity-scattering vertex by inclusion of the effects of pair fluctuations. The conductivity is evaluated for a thin film. It depends only on the reduced temperature and the normal resistance per square. Fair agreement is found with Al films over a wide temperature range. Agreement is not found with experiments on Bi, Pb, and Ga films, which apparently contain a strong additional pair-breaking effect. The temperature range in which interactions among fluctuations become important in the Maki conductivity is generally larger than that given by the Ginzburg criterion.

Keller, J.↗

Silicon superlattices. 2: Si-Ge heterostructures and MOS systems

Five main areas were examined: (1) the valence-and conduction-band-edge electronic structure of the thin layer ( 11 A) silicon-superlattice systems; (2) extension of thin-layer calculations to layers of thickness 11 A, where most potential experimental interest lies; (3) the electronic structure of thicker-layer (11 to 110 A) silicon superlattices; (4) preliminary calculations of impurity-scattering-limited electron mobility in the thicker-layer superlattices; and (5) production of the fine metal lines that would be required to produce on MOS superlattice.

Moriarty, J. A.↗

Analysis of resistance data on a good ceramic sample of YBa2Cu3O(7-x)

Resistance data between 91.4 and 200 K on a ceramic sample of YBa2Cu3O(7-x) are analyzed using a two-band model for normal-state conductance plus the Lawrence-Doniach theory for effects of superconducting fluctuations. The data is fitted to a rms accuracy of 0.16 percent of the resistance in the middle of the temperature range. The steepest slope of the resistance of the sample occurs at 91.13 K, and the analysis shows that the critical region extends to less than 0.3 K above Tc. Values of parameters found indicate that defect or impurity scattering within grains is unusually small in this sample. Some difficulties in understanding Hall data using either simple two-band models or more sophisticated one-band models are discussed briefly.

Eagles, David M.↗

Quantum state transfer in double-quantum-well devices

A Monte Carlo simulation of double-quantum-well (DQW) devices is presented in view of analyzing the quantum state transfer (QST) effect. Different structures, based on the AlGaAs/GaAs system, were simulated at 77 and 300 K and optimized in terms of electron transfer and device speed. The analysis revealed the dominant role of the impurity scattering for the QST. Different approaches were used for the optimization of QST devices and basic physical limitations were found in the electron transfer between the QWs. The maximum transfer of electrons from a high to a low mobility well was at best 20%. Negative differential resistance is hampered by the almost linear rather than threshold dependent relation of electron transfer on electric field. By optimizing the doping profile the operation frequency limit could be extended to 260 GHz.

Jakumeit, Jurgen↗

Long-term evolution of crustal neutron star magnetic fields

We have derived an analytic solution to the asymptotic behavior of dipolar magnetic fields that are generated in the crusts of neutron stars. We show that if the conductivity is due to impurity scattering, as expected for late stages of evolution, the surface field strength at the magnetic pole declines with the power law B(sub p) approximately = (t/t(sub 0))(exp -2/3). The results are shown to be qualitatively consistent with detailed numerical calculations. These latter results are consistent with some recent analyses of pulsar statistics and the magnetic fields of several binary pulsars with white dwarf companions whose ages have been determined. The dependence of the surface magnetic field on spin period of the pulsar is derived.

Urpin, V. A.↗

Characterization of the transport properties of channel delta-doped structures by light-modulated Shubnikov-de Haas measurements

The transport properties of channel delta-doped quantum well structures were characterized by conventional Hall effect and light-modulated Shubnikov-de Haas (SdH) effect measurements. The large number of carriers that become available due to the delta-doping of the channel, leads to an apparent degeneracy in the well. As a result of this degeneracy, the carrier mobility remains constant as a function of temperature from 300 K down to 1.4 K. The large amount of impurity scattering, associated with the overlap of the charge carriers and the dopants, resulted in low carrier mobilities and restricted the observation of the oscillatory magneto-resistance used to characterize the two-dimensional electron gas (2DEG) by conventional SdH measurements. By light-modulating the carriers, we were able to observe the SdH oscillation at low magnetic fields, below 1.4 tesla, and derive a value for the quantum scattering time. Our results for the ratio of the transport and quantum scattering times are lower than those previously measured for similar structures using much higher magnetic fields.

Mena, R. A.↗

Impact of impurity-based phonon resonant scattering on thermal conductivity of single crystalline GaN

The impact of impurities on the thermal conductivity of halide vapor phase epitaxy gallium nitride (GaN) was studied. Phonon resonances with impurities, modeled as Lorentz oscillators, were used to explain the much lower thermal conductivity than predicted by the Debye–Callaway model. The resonance energies for the oscillators were determined by Raman spectroscopy for Mn and by mass difference approximation for C and Fe. Employing the obtained resonance energies and proportionality factors extracted as fitting parameters, the modified model showed a good agreement with the experimental data. While the doping decreased thermal conductivity for all temperatures, the room temperature values started decreasing significantly once the doping levels approached ~10 19 cm -3 . Consequently, required doping levels to achieve certain GaN-based devices may reduce the thermal conductivity of GaN by as much as 1/3.

36 MATERIALS SCIENCE↗

HgCdTe versus HgZnTe - Electronic properties and vacancy formation energies

The alloy variation of the band gap and the electron and hole effective masses have been calculated for HgCdTe and HgZnTe. Band-gap bowing is larger in HgZnTe than in HgCdTe because of the larger bond length mismatch of HgTe and ZnTe; electron and hole effective masses are found to be comparable for the two alloys for a given band gap. The electron mobility was calculated in both alloys with contributions from phonon, impurity, and alloy scattering. Contributions to the E1 line width due to alloy and impurity scattering in Hg(0.7)Cd(03)Te have been calculated. Results of calculations of the vacancy formation energies in HgTe, ZnTe, and CdTe are discussed.

Berding, M. A.↗

Study of phase decoherence in GeSn (8%) through measurements of the weak antilocalization effect

Alloying germanium with tin offers a means to modulate germanium's electronic structure, enabling a greater degree of control over quantum properties such as the retention of the phase or spin of the electron wave. However, the extent to which the presence of high dopant concentrations in GeSn alters these quantum behaviors is poorly understood. Here, we investigate the role of dopant concentrations on phase coherence through measurements of the weak antilocalization (WAL) effect at temperatures between 30 mK and 10 K in p-GeSn (8%) thin films, which were doped to a series of carrier densities on the order of 10 12 cm –2 . Phase coherence and spin–orbit lengths were extracted from the magnetoconductivities using the 2D Hikami–Larkin–Nagaoka model. Phase coherence lengths peaked at 577, 593, and 737 nm for the low-, mid-, and high-density samples, while upper limits on the spin–orbit lengths of less than 25 nm were relatively independent of carrier density and temperature. The phase coherence lengths increased as the temperature decreased but changed only minimally with carrier density, contrary to common models of temperature-dependent inelastic scattering. Saturation of the phase coherence lengths occurred below 600 mK. Based on these findings, intrinsically generated inelastic scattering mechanisms such as two-level systems or impurity band scattering likely contribute to phase decoherence in these alloys. Our results provide insight into the inelastic scattering mechanisms of GeSn, while suggesting a need for further investigation into phase decoherence mechanisms in doped group-IV alloys.

42 ENGINEERING↗

Anomalous Hall effects in chiral superconductors

We report theoretical results for the electronic contribution to thermal and electrical transport for chiral superconductors belonging to even or odd-parity E 1 and E 2 representations of the tetragonal and hexagonal point groups. Chiral superconductors exhibit novel properties that depend on the topology of the order parameter and Fermi surface, and—as we highlight—the structure of the impurity potential. An anomalous thermal Hall effect is predicted and shown to be sensitive to the winding number, ν, of the chiral order parameter via Andreev scattering that transfers angular momentum from the chiral condensate to excitations that scatter off the random potential. For heat transport in a chiral superconductor with isotropic impurity scattering, i.e., point-like impurities, a transverse heat current is obtained for ν = ± 1, but vanishes for | ν | > 1. This is not a universal result. For finite-size impurities with radii of order or greater than the Fermi wavelength, R ≥ ℏ / p f, the thermal Hall conductivity is finite for chiral order with | ν | ≥ 2, and determined by a specific Fermi-surface average of the differential cross-section for electron-impurity scattering. Our results also provide quantitative formulae for analyzing and interpreting thermal transport measurements for superconductors predicted to exhibit broken time-reversal and mirror symmetries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗