Optical Anisotropy of theSiC(001)-(3×2)Surface: Evidence for the Two-Adlayer Asymmetric-Dimer Model

Abstract

The structure of the ( 3x2) reconstruction of beta-SiC(001) surface has been identified by comparing reflectance anisotropy spectra calculated from first principles with recent measurements. Only the calculations for the two-adlayer asymmetric-dimer model agree with experiment. The two prominent peaks at 3.6 and 5.0 eV found experimentally are assigned to electronic transitions between surface and bulklike electronic states. A further pronounced anisotropy at 2.0 eV, due to transitions between surface states, is predicted.

Atomic structure determination of the Si-rich β-SiC(001)3×2surface by grazing-incidence x-ray diffraction: A stress-driven reconstruction

“…The TAADM was apparently supported by other calculations of the reflectance anisotropy spectroscopy ͑RAS͒. 28 The calculated spectrum was claimed to be in agreement with available data from experimental reflectance difference spectroscopy ͑RDS͒. 29 However, the calculated RAS spectrum 28 for the DDRM ͑Refs.…”

“…28 The calculated spectrum was claimed to be in agreement with available data from experimental reflectance difference spectroscopy ͑RDS͒. 29 However, the calculated RAS spectrum 28 for the DDRM ͑Refs. 16, 12, 20, and 22-24͒ is also close to the experimental spectrum with two similar broad spectral features located at the same energy.…”

Cycloaddition reaction versus dimer cleavage at theSi(001):C5H8Lu1, Schmidt2, Bernholc3 2003Phys. Rev. BSelf Cite261150View full textAdd to dashboardCite

“…36 Comparisons between the measured data and spectra computed for alternative structural models often allow for unambiguous determination of surface or interface geometries. 37,38 In our calculations, the electronic self-energy corrections are approximately included using the scissors operator and the effects of electron-hole attraction and of local fields are omitted. However, these many-body effects usually do not qualitatively alter the spectra, 39,40 because RAS measurements obtain difference spectra, which are furthermore normalized to the bulk dielectric function.…”

Reflectance anisotropy of uracil covered Si(001) surfaces: Ab initio predictions

“…[2,3]. This holds in particular if the measurements are accompanied by accurate firstprinciples calculations [4,5]. At present, however, there are only very few studies that explore optical anisotropies of organically modified semiconductors (see, e.g., Refs.…”