Journal ArticleDOI
Electron states in α-quartz: A self-consistent pseudopotential calculation
James R. Chelikowsky,M. Schlüter +1 more
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In this article, a self-consistent pseudopotentials are used to investigate the electronic structure of $\ensuremath{\alpha}$-quartz and find excellent agreement between theory and experiment with respect to photoemission and uv absorption data.Abstract:
Self-consistent pseudopotentials are used to investigate the electronic structure of $\ensuremath{\alpha}$-quartz. We present calculations for the band structure, electronic density of states, optical response functions, pseudocharge densities, and x-ray emission spectra. We find excellent agreement between theory and experiment with respect to photoemission and uv absorption data. The chemical bonding present in $\ensuremath{\alpha}$-quartz as determined from pseudocharge density contour maps is consistent with other theoretical calculations. The theoretical x-ray emission spectra, as obtained from an orthogonalized-plane-wave scheme, are compared with experimental data. The calculated silicon and oxygen $K$ spectra agree very well with experiment; however, the $\mathrm{Si} {L}_{2,3}$ spectrum exhibits substantial disagreement with the data. An explanation is proposed based upon the formation of amorphous elemental Si in Si${\mathrm{O}}_{2}$ during electron irradiation.read more
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Extreme ultraviolet high-harmonic spectroscopy of solids
Tran Trung Luu,Manish Garg,S. Yu. Kruchinin,A. Moulet,M. Th. Hassan,Eleftherios Goulielmakis +5 more
TL;DR: This study indicates the association of the emitted EUV radiation with intraband currents of multi-petahertz frequency, induced in the lowest conduction band of SiO2, and exploits the EUV spectra to gain access to fine details of the energy dispersion profile of the conductionBand that are as yet inaccessible by photoemission spectroscopy in wide-bandgap dielectrics.
Journal ArticleDOI
On tunneling in metal‐oxide‐silicon structures
TL;DR: In this article, the analysis of Fowler-Nordheim tunneling data in metaloxide-silicon structures is reviewed, and it is concluded that a parabolic dispersion relation for SiO2 and an electron effective mass of mox = 0.5m provide the best description of the experimental results.
Journal ArticleDOI
The electronic structure of impurities and other point defects in semiconductors
TL;DR: In this article, a review of the various theoretical methods that have been developed for the study of states introduced by impurities and other point defects in semiconductors is presented, including those of the effective mass type, and a wide range of methods appropriate to deep levels.
Journal ArticleDOI
Chemical and electronic structure of the SiO2/Si interface
TL;DR: In this article, the chemical structure of the SiO2/Si interface and its relationship to both MOS device processing chemistry and, ultimately, the resultant electrical device properties were investigated.
Journal ArticleDOI
Electrical and optical properties of amorphous indium oxide
TL;DR: In this paper, the electrical and optical properties of amorphous transparent conducting thin films of indium oxide prepared by ion beam sputtering with a wide range of carrier concentrations were analyzed.
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