The photon–phonon coupling at C (001)-(2× 1) surfaces and its manifestation in far-infrared
reflectance anisotropy spectra (FIR-RAS) are theoretically investigated. We solve the …

The surface states of different diamond surfaces are studied using total and partial density of
states (DOS) curves, and are related qualitatively to the reactivity of these surfaces, which …

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 …

Diamond is a radiation hard, a wide band-gap semiconductor, with high intrinsic carrier
mobilities and high thermal-conductivity, allowing it to be used in extreme radiation …

Abstract Petrini, D. 2007. Surface Stabilization and Electrochemical Properties from a
Theoretical Perspective. Acta Universitatis Upsaliensis. Digital Comprehensive Summaries …

The topmost atom layers of any surface often play very crucial roles regarding the surface
properties, in addition to facilitating the interaction of materials with their external …

Currently, there is a growing interest in understanding the physico-chemical properties on
an atomic scale and the formation and growth of real carbon-based materials. While the …

In this thesis, elemental research towards the implantation of a diamond-based molecular
quantum computer is presented. The approach followed requires linear alignment of …

Structural studies using STM have shown that 1 x 1, 2 x 1, and 3 x 1 configurations are
present on hydrogen-terminated diamond (001) surface. 2 x 1 reconstruction has been …

We are describing fundamental principles for molecular-dynamic simulations of structure
formation in real materials at finite temperature. Various concepts for the calculation of total …