Developing the MTO Formalism

We review the simple linear muffin-tin orbital method in the atomic-spheres approximation and a tight-binding representation (TB-LMTO-ASA method), and show how it can be generalized to an accurate and robust Nth order muffin-tin orbital (NMTO) method without increasing the size of the basis set and without complicating the formalism. On the contrary, downfolding is now more efficient and the formalism is simpler and closer to that of screened multiple-scattering theory. The NMTO method allows one to solve the single-electron Schroedinger equation for a MT-potential -in which the MT-wells may overlap- using basis sets which are arbitrarily minimal. The substantial increase in accuracy over the LMTO-ASA method is achieved by substitution of the energy-dependent partial waves by so-called kinked partial waves, which have tails attached to them, and by using these kinked partial waves at N+1 arbitrary energies to construct the set of NMTOs. For N=1 and the two energies chosen infinitesimally close, the NMTOs are simply the 3rd-generation LMTOs. Increasing N, widens the energy window, inside which accurate results are obtained, and increases the range of the orbitals, but it does not increase the size of the basis set and therefore does not change the number of bands obtained. The price for reducing the size of the basis set through downfolding, is a reduction in the number of bands accounted for and -unless N is increased- a narrowing of the energy window inside which these bands are accurate. A method for obtaining orthonormal NMTO sets is given and several applications are presented.Comment: 85 pages, Latex2e, Springer style, to be published in: Lecture notes in Physics, edited by H. Dreysse, (Springer Verlag

The Economic and Cultural Impacts of Veterans on Rural America: The Case of Iowa

Rural America has long been a crucial supplier of recruits and civilian personnel to the U.S. military. Rural America is also an essential source of cultural and political support for military activity. After their tours of duty have ended, many veterans return to rural communities where they continue to carry the values of their military experiences and extend military traditions into rural culture. Far away from the Pentagon and other corridors of military power live millions of geographically-dispersed rural veterans whose Veterans Administration benefits (cash payments, loans, medical care) and retirement pensions flow into, and become a crucial economic support of, rural communities. Using the state of Iowa as an illustrative case, we map the geographical concentration of veterans in rural communities. We then map the economic impacts of veterans on rural communities, tracing the labyrinth of ongoing financial transactions, medical services, and other benefits so important to the vitality of rural communities. We also map indicators of the cultural importance of veterans to rural communities and the role that veteran service organizations play in the maintenance of a rural culture that honors military service. Linkages between military service and the enduring values of patriotism are continually reinforced through a variety of community celebrations, events, and traditions that serve to make rural places fertile recruiting grounds for the armed services

Advances in Feature Selection with Mutual Information

The selection of features that are relevant for a prediction or classification problem is an important problem in many domains involving high-dimensional data. Selecting features helps fighting the curse of dimensionality, improving the performances of prediction or classification methods, and interpreting the application. In a nonlinear context, the mutual information is widely used as relevance criterion for features and sets of features. Nevertheless, it suffers from at least three major limitations: mutual information estimators depend on smoothing parameters, there is no theoretically justified stopping criterion in the feature selection greedy procedure, and the estimation itself suffers from the curse of dimensionality. This chapter shows how to deal with these problems. The two first ones are addressed by using resampling techniques that provide a statistical basis to select the estimator parameters and to stop the search procedure. The third one is addressed by modifying the mutual information criterion into a measure of how features are complementary (and not only informative) for the problem at hand

Third-Generation TB-LMTO

We describe the screened Korringa-Kohn-Rostoker (KKR) method and the third-generation linear muffin-tin orbital (LMTO) method for solving the single-particle Schroedinger equation for a MT potential. The simple and popular formalism which previously resulted from the atomic-spheres approximation (ASA) now holds in general, that is, it includes downfolding and the combined correction. Downfolding to few-orbital, possibly short-ranged, low-energy, and possibly orthonormal Hamiltonians now works exceedingly well, as is demonstrated for a high-temperature superconductor. First-principles sp3 and sp3d5 TB Hamiltonians for the valence and lowest conduction bands of silicon are derived. Finally, we prove that the new method treats overlap of the potential wells correctly to leading order and we demonstrate how this can be exploited to get rid of the empty spheres in the diamond structure.Comment: latex2e, 32 printed pages, Postscript figs, to be published in: Tight-Binding Approach to Computational Materials Science, MRS Symposia Proceedings No. 491 (MRS, Pittsburgh, 1998

The Economic and Cultural Impacts of Veterans on Rural America: The Case of Iowa

Rural America has long been a crucial supplier of recruits and civilian personnel to the U.S. military. Rural America is also an essential source of cultural and political support for military activity. After their tours of duty have ended, many veterans return to rural communities where they continue to carry the values of their military experiences and extend military traditions into rural culture. Far away from the Pentagon, and other corridors of military power, live millions of geographically-dispersed rural veterans whose Veterans Administration benefits (cash payments, loans, medical care) and retirement pensions flow into, and become a crucial economic support of, rural communities. Using the state of Iowa as an illustrative case, we map the geographical concentration of veterans in rural communities. We then map the economic impacts of veterans on rural communities, tracing the labyrinth of ongoing financial transactions, medical services, and other benefits so important to the vitality of rural communities. We also map indicators of the cultural importance of veterans to rural communities and the role that veteran service organizations play in the maintenance of a rural culture that honors military service. Linkages between military service and the enduring values of patriotism are continually reinforced through a variety of community celebrations, events, and traditions that serve to make rural places fertile recruiting grounds for the armed services

Evaluation of the two-photon absorption characteristics of GaSb/GaAs quantum rings

The optical parameters describing the sub-bandgap response of GaSb/GaAs quantum rings solar cells have been obtained from photocurrent measurements using a modulated pseudomonochromatic light source in combination with a second, continuous photo-filling source. By controlling the charge state of the quantum rings, the photoemission cross-sections describing the two-photon sub-bandgap transitions could be determined independently. Temperature dependent photo-response measurements also revealed that the barrier for thermal hole emission from the quantum rings is significantly below the quantum ring localisation energy. The temperature dependence of the sub-bandgap photo-response of the solar cell is also described in terms of the photo-and thermal-emission characteristics of the quantum rings. (C) 2014 AIP Publishing LLC

Photocapacitance study of type-II GaSb/GaAs quantum ring solar cells

In this study, the density of states associated with the localization of holes in GaSb/GaAs quantum rings are determined by the energy selective charging of the quantum ring distribution. The authors show, using conventional photocapacitance measurements, that the excess charge accumulated within the type-II nanostructures increases with increasing excitation energies for photon energies above 0.9 eV. Optical excitation between the localized hole states and the conduction band is therefore not limited to the Γ(k = 0) point, with pseudo-monochromatic light charging all states lying within the photon energy selected. The energy distribution of the quantum ring states could consequently be accurately related from the excitation dependence of the integrated photocapacitance. The resulting band of localized hole states is shown to be well described by a narrow distribution centered 407 meV above the GaAs valence band maximum

Barium Concentration in Rock Varnish: Implications for Calibrated Rock Varnish Dating Curves

Cation-ratio dating of rock varnish is a recently developed technique for obtaining surface exposure ages of a wide variety of geomorphic surfaces. As originally proposed, the technique utilizes a ratio among minor cations [(K+Ca)/Ti] in rock varnish. Although this varnish cation ratio is related to the Ti concentration, it can also be affected by the presence of Ba that may be partially included in the analyzed concentration of Ti. Barium is a minor constituent found in virtually all rock varnishes sampled from the Lake Mead area, Las Vegas Valley, and the Crater Flat region of southern Nevada. Barium is heterogeneously distributed in rock varnish, associated predominantly with Mn and secondarily with sulfur (detrital barite). Barium concentrations are apparently greater in varnishes found on young surfaces (\u3c 100 ka) than in varnishes found on older surfaces (\u3e 500 ka), and they are apparently greater in varnishes on low elevation surfaces than in varnishes on hill-slope or ridge deposits. In energy dispersive spectroscopy (EDS), Ba Lα and Lβ peaks overlap with Ti Kα and Kβ peaks. Unless decomposed , the overlapping peaks may yield erroneously large values for Ti. We have compared the effect of Ba concentration on calculated varnish cation ratios using: (I) quantitative EDS with the scanning electron microscope (SEM) that decomposes Ti and Ba peaks; (2) quantitative wavelength-dispersive spectroscopy (WDS) with an electron probe microanalyzer (EPM); (3) semiquantitative EDS with the SEM that decomposes Ti and Ba peaks; and (4) semi-quantitative EDS with the SEM that does not decompose Ti and Ba lines. Results suggest small amounts of Ba relative to Ti will not significantly change the value of the calculated varnish cation ratio with or without decomposition. However, if Ba concentrations are high relative to Ti, the effect on cation ratios is pronounced, resulting in anomalously low cation ratios. As younger varnishes and varnishes on topographically lower surfaces apparently have higher Ba concentrations, the effect of Ba on cation ratios calculated for younger rock varnishes and lower surfaces will be greater

Simulation of the enhanced infrared photoresponse of type-II GaSb/GaAs quantum ring solar cells

The extended photo-response of solar cells containing ten periods of GaSb/GaAs quantum rings imbedded in the p-i-n junction has been described using a single-band representation of the type-II quantum ring structure. By fitting the experimental data, the authors were able to deduce that the quantum rings are well represented by a Gaussian height distribution and a large valence band discontinuity. The simulated band of states is shown to be well matched to the photoluminescence analysis of the structure, with the inhomogeneous size distribution resulting in a band of hole states roughly 390 meV above the valence band