𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Point defect modeling in materials: Coupling ab initio and elasticity approaches

✍ Scribed by Varvenne, Céline; Bruneval, Fabien; Marinica, Mihai-Cosmin; Clouet, Emmanuel


Book ID
121312710
Publisher
The American Physical Society
Year
2013
Tongue
English
Weight
503 KB
Volume
88
Category
Article
ISSN
1098-0121

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Ab initio modeling of defect levels in G
✍ J. Coutinho; V.J.B. Torres; A. Carvalho; R. Jones; S. Öberg; P.R. Briddon 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 265 KB

Most density-functional studies of defects in semiconductors invariably use (i) a supercell that imitates the host crystal, as well as (ii) a local treatment of the exchange-correlation potential. The first approximation has had an enormous success in many materials, provided that the size of cell i

Ab initio calculations about intrinsic p
✍ C.S. Becquart; C. Domain 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 160 KB

We have used ab initio calculations in the framework of the density functional theory to determine the properties of the self-interstitial atom, the vacancy, vacancy clusters and He in tungsten. The most stable configuration for the self-interstitial atom is the h1 1 1i dumbbell. The divacancy is no

ChemInform Abstract: Ab initio Theory of
✍ Gianfranco Pacchioni 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 26 KB 👁 2 views

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable v