Semiconductor Surfaces and Interfaces deals with structural and electronic properties of
semiconductor surfaces and interfaces. The first part introduces the general aspects of …

In this article, the current understanding of semiconductor surface reconstructions and the
role of total-energy calculations in achieving this understanding is reviewed. The methods …

Recent developments and achievements in the theoretical interpretation of inelastic
scattering of thermal energy beams of He and other noble gas atoms from surfaces are …

We have performed a comparative study of six classical many-body potentials for silicon
(Pearson, Takai, Halicioglu, and Tiller; Biswas and Hamann; Stillinger and Weber; Dodson …

We present the results of a systematic study of the reconstruction of the Si (100) surface
based upon total energies calculated within the framework of the local-density …

Friction force microscopy is an important analytical tool in the field of tribology on the
nanometer-scale. The contact area between the probing tip and the sample is reduced to …

We present ab initio investigations of the structural and electronic properties of clean and
hydrogen-covered diamond (100) surfaces within local-density-functional theory. Our …

We present the results of extensive computer simulations of several sodium microclusters,
using the Car–Parrinello method (unified density‐functional theory and molecular …

Research on topological physics of phonons has attracted enormous interest but demands
appropriate model materials. Our ab initio calculations identify silicon as an ideal candidate …

We present a review of semiconductor surface reconstruction. Experimental and theoretical
results on atomic geometry, electronic states, phonon modes, and bonding are presented for …