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21.
  • Dallera, C., et al. (creator_code:aut_t)
  • Understanding mixed valent materials : Effects of dynamical core-hole screening in high-pressure x-ray spectroscopy
  • 2006
  • record:In_t: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 74:8, s. 081101-
  • swepub:Mat_article_t (swepub:level_refereed_t)abstract
    • Changes in the electronic structure of Yb, a material whose valence is modified under pressure, are observed with remarkable detail in x-ray absorption and emission data measured between ambient conditions and 20 GPa. These changes are reproduced by a theory that essentially does not rely on experimental parameters, and includes dynamical core-hole screening. From the combined experimental and theoretical data we can firmly establish on a quantitative level how the valency of an intermediate valence material is modified by pressure. In metallic Yb it increases from 2 to 2.55 +/- 0.05 between 0 and 20 GPa.
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22.
  • Dubrovinsky, L., et al. (creator_code:aut_t)
  • Noblest of all metals is structurally unstable at high pressure
  • 2007
  • record:In_t: Physical Review Letters. - : American Physical Society. - 0031-9007 .- 1079-7114. ; 98:4
  • swepub:Mat_article_t (swepub:level_refereed_t)abstract
    • In a series of experiments in externally electrically heated diamond anvil cells we demonstrate that at pressures above similar to 240 GPa gold adopts a hexagonal-close-packed structure. Ab initio calculations predict that at pressures about 250 GPa different stacking sequences of close-packed atomic layers in gold become virtually degenerate in energy, strongly supporting the experimental observations.
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23.
  • Entrepreneurship, social capital and governance : Directions for the sustainable development and competitiveness of regions
  • 2012. - 1
  • swepub:Mat_collectioneditorial_t (swepub:level_refereed_t)abstract
    • This book highlights the role of entrepreneurship, social capital and governance for regional economic development. In recent decades, many researchers have claimed that entrepreneurship is the most critical factor in sustaining regional economic growth. However, most entrepreneurship research is undertaken without considering the fundamental importance of the regional context. Other research has emphasized the role of social capital but there are substantial problems in empirically relating measures of social capital to regional economic development. © Charlie Karlsson, Börje Johansson and Roger R. Stough 2012. All rights reserved.
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24.
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25.
  • Höglund, Andreas, et al. (creator_code:aut_t)
  • Point defects on the (110) surfaces of InP, InAs, and InSb : A comparison with bulk
  • 2006
  • record:In_t: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 74:7
  • swepub:Mat_article_t (swepub:level_refereed_t)abstract
    • The basic properties of point defects, such as local geometries, positions of charge-transfer levels, and formation energies, have been calculated using density-functional theory, both in the bulk and on the (110) surface of InP, InAs, and InSb. Based on these results we discuss the electronic properties of bulk and surface defects, defect segregation, and compensation. In comparing the relative stability of the surface and bulk defects, it is found that the native defects generally have higher formation energies in the bulk. From this it can be concluded that at equilibrium there is a considerably larger fraction of defects at the surface and under nonequilibrium conditions defects are expected to segregate to the surface, given sufficient time. In most cases the charge state of a defect changes upon segregation, altering the charge-carrier concentrations. The photothresholds are also calculated for the three semiconductors and are found to be in good agreement with experimental data.
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26.
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27.
  • Isaev, E. I., et al. (creator_code:aut_t)
  • Phonon related properties of transition metals, their carbides, and nitrides : A first-principles study
  • 2007
  • record:In_t: Journal of Applied Physics. - : AIP Publishing. - 0021-8979 .- 1089-7550. ; 101:12
  • swepub:Mat_researchreview_t (swepub:level_refereed_t)abstract
    • Lattice dynamics of body-centered cubic (bcc) V-b-VIb group transition metals (TM), and B1-type monocarbides and mononitrides of IIIb-VIb transition metals are studied by means of first-principles density functional perturbation theory, ultra soft pseudopotentials, and generalized gradient approximation to the exchange-correlation functional. Ground state parameters of transition metals and their compounds are correctly reproduced with the generated ultrasoft pseudopotentials. The calculated phonon spectra of the bcc metals are in excellent agreement with results of inelastic neutron scattering experiments. We show that the superconductivity of transition metal carbides (TMC) and transition metal nitrides (TMN) is related to peculiarities of the phonon spectra, and the anomalies of the spectra are connected to the number of valence electrons in crystals. The calculated electron-phonon interaction constants for TM, TMC, and TMN are in excellent agreement with experimentally determined values. Phonon spectra for a number of monocarbides and mononitrides of transition metals within the cubic NaCl- and hexagonal WC-type structures are predicted. Ideal stoichiometric B1 crystals of ScC, YC, and VC are predicted to be dynamically stable and superconducting materials. We also conclude that YN is a semiconductor.
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28.
  • Johansson, Börje (creator_code:aut_t)
  • Diversity and superiority in innovation processes
  • 2005
  • record:In_t: MODSIM05. - : Modelling and Simulation Society of Australia and New Zealand Inc. (MSSANZ). - 0975840002 - 9780975840009 ; , s. 1056-1062, s. 1056-1062
  • swepub:Mat_conferencepaper_t (swepub:level_refereed_t)abstract
    • A product group consists of product varieties (phenotypes) that compete for the same customer budget. The paper introduces an approach to identifying separate markets by means of product group (genotype) delineation. The paper contrasts two basic ideas for analysing competition within a product group. The first idea relates to Lancaster's suggestion that every product variety can be identified by its attributes or characteristics (L-model). The second idea relates to the monopolistic-competition model as popularised by Krugman (DS-model). With this latter approach, a product group potentially contains a large set of varieties, where customers as a group have a taste for variety. For each of the two paradigms, the paper presents and compares the process by which novel product varieties are introduced. In the framework of Lancaster, evolution tends to reduce the number of varieties due to development of superior alternatives. The Krugman framework rather predicts an evolution where the number of varieties may increase without limits. The contribution of the paper is to contrast the two perspectives, by comparing the change processes and by assessing the adhering equilibrium solutions. A major question is how these two conflicting perspectives should be interpreted. The paper ends by suggesting a framework that can resolve the conflict between the two perspectives. The L-model provides a theoretical framework for how a separated market can be delineated, whereas the DS-model is more ad hoc in this sense. The prime demarcation aspect is however that in the DS-model diversity of products is generated by customers' taste for variety. This must not be interpreted as a case, in which each customer consumes of all varieties at each point in time. A more reasonable interpretation is that a customer during a time period exercises the taste for variety. In contrast, a customer in the L-model purchases two or several varieties only when there is no product available with the desired combination of attributes. Hence, in the L-model the tendency is towards a smaller set of superior varieties. However, heterogeneity among customers will counteract this tendency and generate product diversity in the L-model. The possibility of a superior product variety for each customer group is inherent in the L-model. One may also observe this phenomenon can associated with so-called technology lock-in effects (Arthur, 1989). In order to understand this, we may consider a product group for which an essential feature is mutual compatibility with other product variants. As some variant gets a large market share, the compatibility aspect will be an important attribute with a decisive role in customers' preference functions. This type of feature is completely absent in the DS-model. In the L-model scale economies explain the dynamics when a superior product increases its market share by replacing established products. Scale economies are the driving force behind competitive exclusion. In the DS-model scale economies provide incentives for firms to develop economies of scope and to continue to expand the number of varieties.
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29.
  • Karis, O, et al. (creator_code:aut_t)
  • Probing surface states of Cu/Ni thin films using x-ray absorption spectroscopy
  • 2001
  • record:In_t: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 63:11
  • swepub:Mat_article_t (swepub:level_refereed_t)abstract
    • Surface and interface properties of Cu thin films (1–4 monolayers) deposited on Ni(100) have been extracted by means of x-ray absorption spectroscopy and analyzed in combination with ab initio density-functional calculations. An unoccupied Cu surface state is identified in an x-ray absorption spectra and studied as a function of film thickness. Experimental data is supported by calculations of the layer-resolved density of states and the results from this combined theoretical-experimental effort show that the surface state is almost entirely located on the atomic layer closest to the vacuum. Our results also indicate strong hybridization between unoccupied states at the Cu/Ni interface boundary.
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30.
  • Korzhavyi, Pavel A., 1966-, et al. (creator_code:aut_t)
  • Exploring monovalent copper compounds with oxygen and hydrogen
  • 2012
  • record:In_t: Proceedings of the National Academy of Sciences of the United States of America. - : National Academy of Sciences. - 0027-8424 .- 1091-6490. ; 109:3, s. 686-689
  • swepub:Mat_article_t (swepub:level_refereed_t)abstract
    • New important applications of copper metal, e.g., in the areas of hydrogen production, fuel cell operation, and spent nuclear fuel disposal, require accurate knowledge of the physical and chemical properties of stable and metastable copper compounds. Among the copper(I) compounds with oxygen and hydrogen, cuprous oxide Cu(2)O is the only one stable and the best studied. Other such compounds are less known (CuH) or totally unknown (CuOH) due to their instability relative to the oxide. Here we combine quantum-mechanical calculations with experimental studies to search for possible compounds of monovalent copper. Cuprous hydride (CuH) and cuprous hydroxide (CuOH) are proved to exist in solid form. We establish the chemical and physical properties of these compounds, thereby filling the existing gaps in our understanding of hydrogen- and oxygen-related phenomena in Cu metal.
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