We present results of lattice dynamical calculations for solids, surfaces, and nanostructures.
The calculations have been made by employing two levels of theoretical approaches: the …

The surface phonon dispersion curves have been calculated for fcc (100),(110), and (111)
surfaces using molecular dynamics (MD) simulations and Lennard-Jones pair potentials. In …

The surfaces of a crystal solid with a given crystallographic orientation are usually described
by the two dimensions of their extension. In the case of well-defined periodicity, surface …

A first principles formulation of the study of lattice vibrations in a crystal would start from the
total Hamiltonian 4.1. 1 H= T e+ T i+ Φ ii (R)+ Φ ee (r)+ Φ ie (r, R) H= T_e+ T_i+ Φ _ ii (R)+ Φ …

In this chapter we move from the one-dimensional atomic chain to two-and three-
dimensional systems. We introduce the concept of the crystal lattice and the corresponding …

Dynamical properties of atoms on surfaces depend sensitively on their bonding environment
and thus provide valuable insight into the local geometry and chemical binding at the …

In this paper we present temperature dependent studies of the surface phonon dispersion
relations for fcc (100),(110), and (111) faces using molecular dynamics (MD) simulations …

Vibrations on a surface directly reflect the atomic arrangement and the force constants
between the atoms in the outermost layers of a solid. Semiconductor surfaces are …

Recent progress in detecting thermal energy vibrations at solid surfaces will be reviewed.
Phonons on clean, well-ordered metals will be discussed as well as vibrations within …

We present some applications of a first-principles approach to the study of the vibrational
properties of crystals. The ab initio lattice dynamics is studied by means of a perturbative …