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Register a new userDetermination of complex absorbing potentials from the electron self-energy
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The electronic conductance of a molecule making contact to electrodes is determined by the coupling of discrete molecular states to the continuum electrode density of states. Interactions between bound states and continua can be modeled exactly by using the (energy-dependent) self-energy, or approximately by using a complex potential. We discuss the relation between the two approaches and give a prescription for using the self-energy to construct an energy-independent, non-local, complex potential. We apply our scheme to studying single-electron transmission in an atomic chain, obtaining excellent agreement with the exact result. Our approach allows us to treat electron-reservoir couplings independent of single electron energies, allowing for the definition of a one-body operator suitable for inclusion into correlated electron transport calculations.
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Metallic thin-walled round tubes are widely used as energy absorption elements. However, lateral splash of the round tubes under impact loadings reduces the energy absorption efficiency and may cause secondary damages. Therefore, it is necessary to assemble and fasten round tubes together by boundary constraints and/or fasteners between tubes, which increases the time and labor cost and affects the mechanical performance of round tubes. In an effort to break through this limitation, a novel self-locked energy-absorbing system has been proposed in this paper. The proposed system is made up of thin-walled tubes with dumbbell-shaped cross section, which are specially designed to interlock with each other and thus provide lateral constraint under impact loadings. Both finite element simulations and impact experiment demonstrated that without boundary constraints or fasteners between tubes, the proposed self-locked energy-absorbing system can still effectively attenuate impact loads while the round tube systems fail to carry load due to the lateral splashing of tubes. Furthermore, the optimal geometric design for a single dumbbell-shaped tube and the optimal stacking arrangement for the system are discussed, and a general guideline on the structural design of the proposed self-locked energy absorbing system is provided.
In this work, we use the thermodynamically consistent and conserving self-energy embedding theory (SEET) to study the spectra of the prototypical undistorted cubic perovskites SrVO$_3$ and SrMnO$_3$. In the strongly correlated metallic SrVO$_3$ we find that the usual attribution of the satellite peaks at -1.8eV to Hund or Hubbard physics in the $t_{2g}$ orbitals is inconsistent with our calculations. In the strongly correlated insulator SrMnO$_3$ we recover insulating behavior due to a feedback effect between the strongly correlated orbitals and the weakly correlated environment. Our calculation shows a systematic convergence of spectral features as the space of strongly correlated orbitals is enlarged, paving the way to a systematic parameter free study of correlated perovskites.
We present measurement and analysis techniques that allow the complete complex magneto-conductivity tensor to be determined from mid-infrared (11-1.6 micron; 100-800 meV) measurements of the complex Faraday (theta_F) and Kerr (theta_K) angles. Since this approach involves measurement of the geometry (orientation axis and ellipticity of the polarization) of transmitted and reflected light, no absolute transmittance or reflectance measurements are required. Thick film transmission and reflection equations are used to convert the complex theta_F and theta_K into the complex longitudinal conductivity sigma_xx and the complex transverse (Hall) conductivity sigma_xy. theta_F and theta_K are measured in a Ga_(1-x)Mn_xAs and SrRuO_3 films. The resulting sigma_xx is compared to the values obtained from conventional transmittance and reflectance measurements, as well as the results from Kramers-Kronig analysis of reflectance measurements on similar films.
Investigations of the Fermi surface via the electron momentum distribution reconstructed from either angular correlation of annihilation radiation (or Compton scattering) experimental spectra are presented. The basis of these experiments and mathematical methods applied in reconstructing three-dimensional densities from line (or plane) projections measured in these experiments are described. The review of papers where such techniques have been applied to study the Fermi surface of metallic materials with showing their main results is also done.
Pulsed-laser deposition (PLD) is one of the most promising techniques for the formation of complex-oxide heterostructures, superlattices, and well-controlled interfaces. The first part of this paper presents a review of several useful modifications of the process, including methods inspired by combinatorial approaches. We then discuss detailed growth kinetics results, which illustrate that true layer-by-layer (LBL) growth can only be approached, but not fully met, even though many characterization techniques reveal interfaces with unexpected sharpness. Time-resolved surface x-ray diffraction measurements show that crystallization and the majority of interlayer mass transport occur on time scales that are comparable to those of the plume/substrate interaction, providing direct experimental evidence that a growth regime exists in which non-thermal processes dominate PLD. This understanding shows how kinetic growth manipulation can bring PLD closer to ideal LBL than any other growth method available today.
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