Vacancy dynamics and reorganization on bromine-etched Si(100)-(2 x 1) surfaces

Halogen etching of Si(100) surfaces has long been considered to involve the selective removal of atoms from an essentially static surface. Here we show that vacancy sites produced by etching are mobile at elevated temperature and rearrange to form features that were considered to be the direct products of etching. We demonstrate that the etch features observed at different temperatures are not due to different mechanisms. Rather, kinetic etch products formed at low temperatures are transformed into thermodynamically more stable features at higher temperatures.     

Tunneling electron induced bromine hopping on Si(100)-(2 x 1)

Tunneling electrons from the tip of a scanning tunneling microscope can be used to induce adatom hopping on Br-terminated Si(100)-(2x1) at low current and without voltage pulses. Hopping does not occur when electrons tunnel from a sample to a tip. The threshold energy is +0.8 V, and tunneling spectroscopy shows antibonding Si-Br states 0.8 eV above the Fermi level. Electron capture in these states is a necessary condition for hopping, but repulsive adsorbate interactions that lower the activation barrier are also required. Such interactions are strong near saturation for Br but are insufficient when the coverage is low or when Br is replaced by Cl.     

Electronic structure of partially hydrogenated Si(100)-( 2 x 1) surfaces prepared by thermal and nonthermal desorption

The electronic structure of partially hydrogenated Si(100)- (2 x 1) surfaces, prepared by controlled thermal annealing and nonthermal photon stimulated desorption of fully hydrogenated Si(100) surfaces, has been investigated by using valence band photoemission. Thermal and nonthermal desorption are found to produce very specific electronic surface structures. This led us to the discovery of two specific surface states having binding energies of 1.0 and 0.7 eV associated with the isolated Si dimers and single Si dangling bonds, respectively.     

Anomalous bismuth-stabilized (2x1) reconstructions on GaAs(100) and InP(100) surfaces

First-principles phase diagrams of bismuth-stabilized GaAs- and InP(100) surfaces demonstrate for the first time the presence of anomalous (2x1) reconstructions, which disobey the common electron counting principle. Combining these theoretical results with our scanning-tunneling-microscopy and photoemission measurements, we identify novel (2x1) surface structures, which are composed of symmetric Bi-Bi and asymmetric mixed Bi-As and Bi-P dimers, and find that they are stabilized by stress relief and pseudogap formation.     

Dimer-anticorrelation-induced stabilization of adsorbate clustering on the Si100-(2 x 1) surface

It is well established that absorbate-absorbate interactions play a key role in determining the distribution of adsorbates on surfaces. In cases where these interactions are repulsive adsorbates frequently arrange so as to minimize these unfavorable interactions. This simple picture, however, neglects the influence of adsorption on the properties on the underlying substrate. Here, using STM, we show that on Si(100) many intrinsically repulsive adsorbates cluster to form surface patches even at low surface coverages. With the aid of density functional theory calculations and Monte Carlo simulations, we show that patch formation is an intrinsic property of the Si(100) surface that is driven by the energy lowering associated with the formation of extended regions of bare dimers. The enhanced attraction between anticorrelated tilted bare dimers is sufficient to offset the repulsions between adsorbates.