Light-emitting Si-rich silicon nitride (SRN) films were fabricated by plasma enhanced
chemical vapor deposition followed by low temperature (500–900 C) annealing. The optical …

The lattice dynamics of three polymorphs of Si 3 N 4, α, β, and γ phases, has been
calculated by the real space force constant method combined with first-principles …

Photonics is a key technology of this century. The combination of photonics and silicon
technology is of great importance because of the potentiality of coupling electronics and …

We present ab initio density functional theory studies for stoichiometric as well as
nonstoichiometric amorphous silicon nitride, varying the stoichiometry between Si 3 N 4.5 …

In 1965 Duwez et al. reported having generated an amorphous, stable phase of palladium-
silicon in the region 15 to 23 atomic percent, at.%, silicon. These pioneering efforts have led …

A theoretical study of the surface structural relaxation of the (0001) hematite is presented
which explores the influence of the size of a slab model, the number of relaxed surface …

By means of molecular dynamics simulations based on the Billeter et al.[SR Billeter, A.
Curioni, D. Fischer, and W. Andreoni, Phys. Rev. B 73, 155329 (2006) PRLTAO 1098-0121 …

Using a density-functional scheme, we investigate the electronic, structural, and vibrational
properties of amorphous silicon nitride. Through a Car-Parrinello molecular-dynamics …

In this work we review our new methods to computer generate amorphous atomic topologies
of several binary alloys: SiH, SiN, CN; binary systems based on group IV elements like SiC; …

We present an ab initio density functional theory study of the dominant defects in
hydrogenated amorphous silicon nitrides covering different stoichiometries, the influence of …