Dielectric properties of ZrN, NbC, and NbN as determined by electron-energy-loss spectroscopy

ArticleinPhysical review. B, Condensed matter 31(3):1244-1247 · March 1985with10 Reads
DOI: 10.1103/PhysRevB.31.1244 · Source: PubMed
Abstract
The dielectric properties of ZrN, NbC, and NbN in the energy range from 1.5 to about 38 eV were determined using high-resolution, high-energy electron-energy-loss spectroscopy. The Kramers-Kronig-derived optical joint densities of states agree well with calculated joint densities of states for NbC and ZrN. The results are compared to the corresponding 3d compounds.
    • "The peak for TiN is at 2.4 eV and a blue shift in peaks are observed for Ti1-xZrxN with increasing Zr concentration. Calculated low-energy plasma excitation of TiN at 2.4 eV and ZrN at 3.3 eV, are in reasonable agreement with measured peak at 2.8 eV [39] and 3.6 eV [40], respectively. However, one should note that local-filed effect, spin-orbit coupling effect and quasi particle (GW) effect may lead to minor deviations of ± 0.5 eV in reported values, which however was not considered here. "
    Dataset · Nov 2015 · Zeitschrift für Physik B Condensed Matter
    • " and onset of interband transitions (ωint) are shown inTable 1, which are in good agreement with the reported experimental data for TiN and ZrN34353637. In addition, our calculated ωp value of 7.49 eV for TiN and 8.63 eV for ZrN, are in good agreement with the previously reported DFT values of 7.62 eV and 8.82 eV for TiN and ZrN, respectively [24]. [37], respectively. However, one should note that local-filed effect, spin-orbit coupling effect and quasi particle (GW) effect may lead to minor deviations of ± 0.5 eV in reported values, which however was not considered here.Figure 4(d) shows the calculated reflectivity of alloy system at normal incident. Qualitatively, one can estimate th"
    [Show abstract] [Hide abstract] ABSTRACT: Chemical composition is the primary factor that determines the electronic band structure and thus also influences the optical properties of plasmonic ceramics including nitrides and oxides. In this work, the optical and plasmonic properties of TiN, ZrN and their hypothetical intermediate alloys Ti1-xZrxN (x= 0, 0.25, 0.50, 0.75, and 1), are studied by using first-principles density functional theory. We demonstrate the effects of electronic band structure tuning (band engineering) on the dielectric properties by varying the concentration of metallic constituents. Our calculations reveal that bulk plasma frequency, onset of interband transitions, width of bulk plasmon resonance and cross-over frequency, can be tuned flexibly in visible spectrum region by varying the amount of Zr concentration in Ti1-xZrxN alloy system. We found that low threshold interband energy onset (~1.95 eV) leads to high losses in Ti rich compounds than that of ZrN which points to lower losses.
    Full-text · Article · Nov 2015
  • [Show abstract] [Hide abstract] ABSTRACT: Several illustrating examples of recent electron energy-loss investigations of the electronic structure of solids are reviewed. In particular, studies on rare-gas bubbles in metals, on conducting polymers, and onL 2,3 edges of 3d transition metals are reported. Moreover, the electron energy-loss spectrometer, which was used for these investigations, is described briefly.
    Article · Jan 1985
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