𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Atomic and Electronic Structure of SiC Surfaces from ab-initio Calculations

✍ Scribed by J. Pollmann; P. Krüger; M. Sabisch


Publisher
John Wiley and Sons
Year
1997
Tongue
English
Weight
613 KB
Volume
202
Category
Article
ISSN
0370-1972

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Ab initio calculations of the electronic
✍ J. M. André; D. P. Vercauteren; V. P. Bodart; J. G. Fripiat 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 950 KB

An ab initio self-consistent-field (scF) algorithm taking into account all the features of the one-dimensional translational periodicity and the helical symmetry is presented. This algorithm includes the long-range correction to the Coulomb potential and is designed to calculate the band structure o

Atomic charge models for polypeptides de
✍ M. N. Bellido; J. A. C. Rullmann 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 777 KB

Ab Initio charge distributions for amino acid dipeptides are derived utilizing two medium-sized basis sets. Peptide charges differ in two ways from those of existing force fields: the magnitude of the peptide dipole and the dependency on the residue type. The merging of charge distributions of side

Ab initio Calculation on Atomic Structur
✍ Qiang Wang; C.G. Pantano; J.F. Annett 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 136 KB 👁 2 views

The atomic structure and structural stabilities of silicon oxycarbide SiO x C y phase formed at the SiC/SiO 2 interface were studied using ab initio pseudopotential method. The total energies and the cohesive energies of the SiO x C y at different composition: SiC, SiO 1/4 C 3/4 , SiO 1/2 C 1/2 , Si