Electron Energy-Loss and Ultraviolet-Reflectivity Spectra of Crystalline ZnO

Hengehold, R. L.; Almassy, Robert J.; Pedrotti, Frank L.

doi:10.1103/physrevb.1.4784

Cited by 105 publications

(49 citation statements)

References 16 publications

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“…The lattice constant of Zn 1− Ca O alloys in wurtzite structure increases with increasing Ca concentration, the variation slightly deviates from Vegard's law, and the wurtzite structure Zn 1− Ca O alloys are stable at concentrations x≤0. 25. The calculated band gap of wurtzite structure Zn 1− Ca O alloys shows a significant increase with increasing Ca concentration.…”

Section: Discussionmentioning

confidence: 99%

First-principles study of optical properties in Ca-doped ZnO alloys

Bai¹,

Lian

Zheng

et al. 2012

Open Physics

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Abstract:Various electronic and optical properties of Zn 1− Ca O ternary alloys of wurtzite structure are calculated using a first-principles approach based on the framework of the generalized gradient approximation to density-functional theory. In particular, on-site Coulomb interactions are introduced, which can reasonably well predict the electronic properties and band gaps of the Zn 1− Ca O (0≤x≤0.25) system. The imaginary part of the calculated dielectric function indicates that the optical transition between O 2p states in the valence band and Zn 4s states in the conduction band shifts to the high-energy range as the Ca concentration increases. The calculated band gap shows a significant increase with increasing Ca concentration. Therefore, Zn 1− Ca O ternary alloys may be a potential candidate alloy for optoelectronic materials, and especially for light-emitters and detectors.

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Section: Discussionmentioning

confidence: 99%

First-principles study of optical properties in Ca-doped ZnO alloys

Bai¹,

Lian

Zheng

et al. 2012

Open Physics

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“…For oxides, there is no simple correspondence between valence electron densities, plasmon energies and electronic stopping: e.g., for ZnO the experimental plasmon energy [39] is consistent with the valence electron density, while for protons ox is lower by a factor of ~ 2 than anticipated for a FEG [6] (for v = 0.2 a.u.). Moreover, the SCS data spread much more than one would anticipate from their rs values (see Tab.…”

Section: Fig 1 Ox Of Vo2 For H Ions (Protons and Deuterons) In Bothmentioning

confidence: 96%

Electronic Stopping of Slow Protons in Oxides: Scaling Properties

et al. 2017

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Electronic stopping of slow protons in ZnO, VO2 (metal and semiconductor phases), HfO2 and Ta2O5 was investigated experimentally. As a comparison of the resulting stopping cross sections (SCS) to data for Al2O3 and SiO2 reveals, electronic stopping of slow protons does not correlate with electronic properties of the specific material such as band gap energies.Instead, the oxygen 2p states are decisive, as corroborated by DFT calculations of the electronic densities of states. Hence, at low ion velocities the SCS of an oxide primarily scales with its oxygen density.

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“…The features on the spectra can be identified as follows. The dominant loss at 18 eV is a bulk plasmon loss [19] and [20]. The peak at 9.5 eV is identified as a surface plasmon loss [20].…”

Section: Openup (July 2007)mentioning

confidence: 99%

Stability of ZnO{0001} against low energy ion bombardment

2007

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The steady-state surface compositions of the polar (O and Zn terminated) faces of ZnO{0 0 0 1} produced by low energy (0.3-2 keV) Ar + ion bombardment were studied by Auger electron spectroscopy and electron energy loss spectroscopy. The alterations produced by the ion bombardment using different ion energies were monitored by calculating the intensity ratios of the low and high energy Zn Auger peaks (59 eV and 994 eV, respectively); Zn and O Auger peaks (59 eV and 510 eV, respectively). Based on the dependence of these ratios on the ion energy and termination of the surface, we could conclude that the stability of the Zn face is higher against the low energy argon ion bombardment-induced compositional changes than that of the O face.

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Electron Energy-Loss and Ultraviolet-Reflectivity Spectra of Crystalline ZnO

Cited by 105 publications

References 16 publications

First-principles study of optical properties in Ca-doped ZnO alloys

First-principles study of optical properties in Ca-doped ZnO alloys

Electronic Stopping of Slow Protons in Oxides: Scaling Properties

Stability of ZnO{0001} against low energy ion bombardment

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