Electronic excitations on Si(100)(2×1)

Oxidation of dimers at the Si(100) surface studied by first‐principles simulation of high‐resolution EELS

“…Two oxygen-induced modifications are apparent: the S 0 peak is quenched completely, due to a drastic change in the wavefunctions and optical matrix elements, and the S 1 peak is slightly broadened and blueshifted. Unfortunately, highresolution EELS data for the energy range discussed here are not, to our knowledge, available for 0.5 ML oxidized Si(100), although Farrell et al [29] demonstrated that both S 0 and S 1 energy loss peaks are almost completely quenched under a saturation coverage of H 2 O.…”

“…The curves shown are an average over spectra computed for q k aligned along [110] and ½110. Calculated spectra are compared with the experimental data of Farrell et al [29] and Gavioli et al [30], which correspond to very similar kinematic conditions (specular scattering at 608; incident energy of E i ¼ 7 or 6.8 eV). The experimental spectra are characterized by two peaks: the S 0 peak at 0.8-1.0 eV, having a shoulder around 0.7 eV, and the S 1 centered at 1.3 or 1.7 eV, depending on the experiment.…”

MOLECULAR-DYNAMICS SIMULATION OF STEPPED Si(100) SURFACE

“…The ideal flat Si(100) surface can be defined by (1 × 1) unit cell form having two dangling bonds for each surface Si atom which are directed outward of the surface by the same Zenith angle. By the help of LEED, 1 ion scattering spectroscopy, 2 ultraviolet photoemission spectroscopy (UPS), 3 electron energy loss (EEL), 4 and core level spectroscopy, 5 the Si(100) surface has been known to reconstruct in the (2 ×1) structure upon cleaning and heat treatment. The reconstruction of Si(100) surface is carried out in a way by which the surface can eliminate the dangling bonds and the surface atoms can rearrange themselves into a new periodic configuration so as to reduce its surface energy.…”

Adsorption of atomic oxygen (N2O) on a clean Si(100) surface and its influence on the surface state density; a comparison with O2

“…Peak Bl, which has its maximum at hv = 1.60 eV ( fig. 7), may therefore be attributed to optical transitions from a filled dangling bond surface states band at -1.3 eV below E, [17,47,48,50] (DBdX2) which corresponds to c(4 X 2) and/or 2 X 2 reconstructions, to the empty surface states band at -0.4 eV above E, [27,49,58]. Peak Al (figs.…”