Electron-phonon interaction and the metal-insulator transition of the Si(111) surface

On the basis of a microscopic theory of surface density response including local-field and excitonic effects we calculate the phonon spectrum of an ideal Si(111) slab. When these many-body effects are included, a drastic enhancement of the non-local response is obtained for a wavevector close to these corresponding to 7 × 7 superstructure. A saddle-point is created at the 2 × 1 wavevector. This result signals an excitonic insulator instability of the metallic dangling bond surface state. The coupling of the resulting charge-density wave to the lattice produces a soft surface mode with atomic displacements supporting the ionic buckling model.     

Low temperature scanning force microscopy of the Si(111)-(7x7) surface

A low temperature scanning force microscope (SFM) operating in a dynamic mode in ultrahigh vacuum was used to study the Si(111)- (7x7) surface at 7.2 K. Not only the twelve adatoms but also the six rest atoms of the unit cell are clearly resolved for the first time with SFM. In addition, the first measurements of the short range chemical bonding forces above specific atomic sites are presented. The data are in good agreement with first principles computations and indicate that the nearest atoms in the tip and sample relax significantly when the tip is within a few A of the surface.     

New phase and surface melting of Si(111) at high temperature above the (7x7)-(1x1) phase transition

The surface structure of Si(111) at high temperatures (950-1380 degrees C) has been studied with reflection high-energy electron diffraction. We have found three different surface structures: (1) A relaxed bulklike structure with adatoms of 0.25 monolayer (ML) is formed (950-1210 degrees C); (2) there is a new phase where the adatom coverage decreases to 0.20 ML (1250-1270 degrees C); (3) the surface melting occurs over 1290 degrees C. The crystalline structure below the melting layer can be explained by the vacancy model missing all adatoms and 0.45 ML of atoms in the first-double layer.     

Disentangling surface, bulk, and space-charge-layer conductivity in Si(111)-(7 x 7)

A novel approach for extracting genuine surface conductivities is presented and illustrated using the unresolved example of Si(111)-(7 x 7). Its temperature-dependent conductivity was measured with a microscopic four point probe between room temperature and 100 K. At room temperature the measured conductance corresponds to that expected from the bulk doping level. However, as the temperatures is lowered below approximately 200 K, the conductance decreases by several orders of magnitude in a small temperature range and it saturates at a low temperature value of approximately 4 x 10(-8) Omega(-1), irrespective of bulk doping. This abrupt transition is interpreted as the switching from bulk to surface conduction, an interpretation which is supported by a numerical model for the measured four point probe conductance. The value of the surface conductance is considerably lower than that of a good metal.     

Electron spin resonance observation of the Si(111)-(7x7) surface and its oxidation process

Electron spin resonance (ESR) observation of dangling-bond states on the Si(111)-(7x7) surface is demonstrated for the first time. The ESR spectra clearly show that a reaction of molecular oxygen with the Si(111)-(7x7) surface is associated with the appearance of a new dangling-bond center at unreacted Si adatoms. Most of the oxidized surface sites do not show ESR signals, but in a minor part of the surface another new type of surface defect is detected. The well known P(b) center at the SiO2/Si interface is found to evolve at an oxide thickness as thin as 0.3 nm.     

Electron-phonon interaction at the Be(0001) surface

We present a first principle study of the electron-phonon (e-p) interaction at the Be(0001) surface. The real and imaginary parts of the e-p self-energy (Sigma) are calculated for the Gamma; surface state in the binding energy range from the Gamma; point to the Fermi level. Our calculation shows an overall good agreement with several photoemission data measured at high and low temperatures. Additionally, we show that the energy derivative of Re Sigma presents a strong temperature and energy variation close to E(F), making it difficult to measure its value just at E(F).     

Vibrational characterization of the oxidation products on Si(111)-(7 x 7)

The oxidation products on Si(111)-(7x7) are investigated at 82 K by means of high-resolution electron energy loss spectroscopy. The isotope-labeled vibrational spectra with 16O2, 18O2, and 16O 18O show that, in the initial stage of the oxidation, an O2 molecule dissociates to form a metastable product with an O atom bonding on top of the Si adatom and the other inserted into the backbond. The metastable product is observed as a dark site in the topographic scanning tunneling microscopy (STM) image and can be transformed to a stable product by the STM manipulation. Our results are in good agreement with recent theoretical calculations.