HIGH RESOLUTION FOURIER ANALYSIS WITH AUTO-REGRESSIVE LINEAR PREDICTION

Auto-regressive linear prediction is adapted to double the resolution of Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) Fourier transforms. Even with the optimal taper (weighting function), the commonly used taper-and-transform Fourier method has limited resolution: it assumes the signal is zero beyond the limits of the measurement. By seeking the Fourier spectrum of an infinite extent oscillation consistent with the measurements but otherwise having maximum entropy, the errors caused by finite data range can be reduced. Our procedure developed to implement this concept adapts auto-regressive linear prediction to extrapolate the signal in an effective and controllable manner. Difficulties encountered when processing actual ARPEFS data are discussed. A key feature of this approach is the ability to convert improved measurements (signal-to-noise or point density) into improved Fourier resolution

BEAM EXPOSURE DEPENDENCE AND MECHANISMS OF PHOTON-STIMULATED DESORPTION FROM ALKALI FLUORIDES

Photon-stimulated desorption experiments were performed on the (001) face of LiF for photon energies near the F(2s) and Li(ls) edges (from 37 to 72 eV). There are structures in the F{sup +} yield above the F(2s) edge which are absent in the Li{sup +} spectrum, differences in detail in the Li{sup +} and F{sup +} yields near the Li(1s) edge, and considerable broadening of the desorption yields as compared to the bulk photoabsorption spectrum. The first observation of a strong x-ray, and visible, beam exposure dependence of ion yields from LiF and NaF is also presented. These results are discussed in terms of electronic and defect properties of alkali halides

Time Evolution of Two-Level Systems Driven by Periodic Fields

In this paper we study the time evolution of a class of two-level systems driven by periodic fields in terms of new convergent perturbative expansions for the associated propagator U(t). The main virtue of these expansions is that they do not contain secular terms, leading to a very convenient method for quantitatively studying the long-time behaviour of that systems. We present a complete description of an algorithm to numerically compute the perturbative expansions. In particular, we applied the algorithm to study the case of an ac-dc field (monochromatic interaction), exploring various situations and showing results on (time-dependent) observable quantities, like transition probabilities. For a simple ac field, we analised particular situations where an approximate effect of dynamical localisation is exhibited by the driven system. The accuracy of our calculations was tested measuring the unitarity of the propagator U(t), resulting in very small deviations, even for very long times compared to the cycle of the driving field.Comment: 1 table, 5 figures. Version 2 contains minor correction

Cryogeomorphic Characterization of Shadowed Regions in the Artemis Exploration Zone

The Artemis program will send crew to explore the south polar region of the Moon, preceded by and integrated with robotic missions. One of the main scientific goals of future exploration is the characterization of polar volatiles, which are concentrated in and near regions of permanent shadow. The meter-scale cryogeomorphology of shadowed regions remains unknown, posing a potential risk to missions that plan to traverse or land in them. Here, we deploy a physics-based, deep learning-driven post-processing tool to produce high-signal and high-resolution Lunar Reconnaissance Orbiter Narrow Angle Camera images of 44 shadowed regions larger than ∼40 m across in the Artemis exploration zone around potential landing sites 001 and 004. We use these images to map previously unknown, shadowed meter-scale (cryo)geomorphic features, assign relative shadowed region ages, and recommend promising sites for future exploration. We freely release our data and a detailed catalog of all shadowed regions studied

Electronic properties of metal induced gap states at insulator/metal interfaces -- dependence on the alkali halide and the possibility of excitonic mechanism of superconductivity

Motivated from the experimental observation of metal induced gap states (MIGS) at insulator/metal interfaces by Kiguchi {\it et al.} [Phys. Rev. Lett. {\bf 90}, 196803 (2003)], we have theoretically investigated the electronic properties of MIGS at interfaces between various alkali halides and a metal represented by a jellium with the first-principles density functional method. We have found that, on top of the usual evanescent state, MIGS generally have a long tail on halogen sites with a $p_z$-like character, whose penetration depth ($\lambda$) is as large as half the lattice constant of bulk alkali halides. This implies that $\lambda$, while little dependent on the carrier density in the jellium, is dominated by the lattice constant (hence by energy gap) of the alkali halide, where $\lambda_{\rm LiF} < \lambda_{\rm LiCl} < \lambda_{\rm LiI}$. We also propose a possibility of the MIGS working favorably for the exciton-mediated superconductivity.Comment: 7 pages, 9 figure

Second harmonic generation and birefringence of some ternary pnictide semiconductors

A first-principles study of the birefringence and the frequency dependent second harmonic generation (SHG) coefficients of the ternary pnictide semiconductors with formula ABC$_2$ (A = Zn, Cd; B = Si, Ge; C = As, P) with the chalcopyrite structures was carried out. We show that a simple empirical observation that a smaller value of the gap is correlated with larger value of SHG is qualitatively true. However, simple inverse power scaling laws between gaps and SHG were not found. Instead, the real value of the nonlinear response is a result of a very delicate balance between different intraband and interband terms.Comment: 13 pages, 12 figure

The transition from the adiabatic to the sudden limit in core level photoemission: A model study of a localized system

We consider core electron photoemission in a localized system, where there is a charge transfer excitation. The system is modelled by three electron levels, one core level and two outer levels. The model has a Coulomb interaction between these levels and the continuum states into which the core electron is emitted. The model is simple enough to allow an exact numerical solution, and with a separable potential an analytic solution. We calculate the ratio r(omega) between the weights of the satellite and the main peak as a function of the photon energy omega. The transition from the adiabatic to the sudden limit takes place for quite small photoelectron kinetic energies. For such small energies, the variation of the dipole matrix element is substantial and described by the energy scale Ed. Without the coupling to the photoelectron, the corresponding ratio r0(omega) is determined by Ed and the satellite excitation energy dE. When the interaction potential with the continuum states is introduced, a new energy scale Es=1/(2Rs^2) enters, where Rs is a length scale of the interaction potential. At threshold there is typically a (weak) constructive interference between intrinsic and extrinsic contributions, and the ratio r(omega)/r0(omega) is larger than its limiting value for large omega. The interference becomes small or weakly destructive for photoelectron energies of the order Es. For larger energies r(omega)/r0(omega) therefore typically has a weak undershoot. If this undershoot is neglected, r(omega)/r0(omega) reaches its limiting value on the energy scale Es.Comment: 18 pages, latex2e, 13 eps figure

An EBSD study of the deformation of service-aged 316 austenitic steel

Electron backscatter diffraction (EBSD) has been used to examine the plastic deformation of an ex-service 316 austenitic stainless steel at 297K and 823K (24 °C and 550 °C)at strain rates 3.5x10-3 to 4 x 10-7 s-1. The distribution of local misorientations was found to depend on the imposed plastic strain following a lognormal distribution at true strains 0.1. At 823 K (550 °C), the distribution of misorientations depended on the applied strain rate. The evolution of lattice misorientations with increasing plastic strain up to 0.23 was quantified using the metrics kernel average misorientation, average intragrain misorientation, and low angle misorientation fraction. For strain rate down to 10-5 s-1 all metrics were insensitive to deformation temperature, mode (tension vs. compression) and orientation of the measurement plane. The strain sensitivity of the different metrics was found to depend on the misorientation ranges considered in their calculation. A simple new metric, proportion of undeformed grains, is proposed for assessing strain in both aged and unaged material. Lattice misorientations build up with strain faster in aged steel than in un-aged material and most of the metrics were sensitive to the effects of thermal aging. Ignoring aging effects leads to significant overestimation of the strains around welds. The EBSD results were compared with nanohardness measurements and good agreement established between the two techniques of assessing plastic strain in aged 316 steel

Microstructure and thermal stability of Fe, Ti and Ag implanted Yttria-stabilized zirconia

Yttria-stabilized zirconia (YSZ) was implanted with 15 keV Fe or Ti ions up to a dose of 8×1016 at cm−2. The resulting “dopant” concentrations exceeded the concentrations corresponding to the equilibrium solid solubility of Fe2O3 or TiO2 in YSZ. During oxidation in air at 400° C, the Fe and Ti concentration in the outermost surface layer increased even further until a surface layer was formed of mainly Fe2O3 and TiO2, as shown by XPS and ISS measurements. From the time dependence of the Fe and Ti depth profiles during anneal treatments, diffusion coefficients were calculated. From those values it was estimated that the maximum temperature at which the Fe- and Ti-implanted layers can be operated without changes in the dopant concentration profiles was 700 and 800° C, respectively. The high-dose implanted layer was completely amorphous even after annealing up to 1100° C, as shown by scanning transmission electron microscopy. Preliminary measurements on 50 keV Ag implanted YSZ indicate that in this case the amorphous layer recrystallizes into fine grained cubic YSZ at a temperature of about 1000° C. The average grain diameter was estimated at 20 nm, whereas the original grain size of YSZ before implantation was 400 nm. This result implies that the grain size in the surface of a ceramic material can be decreased by ion beam amorphisation and subsequent recrystallisation at elevated temperatures