𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio modeling of trititanate nanotubes

✍ Scribed by Szieberth, Dénes; Ferrari, Anna Maria; D'Arco, Philippe; Orlando, Roberto

Book ID
120444476
Publisher
The Royal Society of Chemistry
Year
2011
Tongue
English
Weight
562 KB
Volume
3
Category
Article
ISSN
2040-3364

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

nanotubes: An ab initio study
nanotubes: An ab initio study
✍ Wu, I. J.; Guo, G. Y. 📂 Article 📅 2007 🏛 The American Physical Society 🌐 English ⚖ 631 KB
Ab-initio modeling of spintronic materia
Ab-initio modeling of spintronic materials
✍ Sanyal, Biplab ;Eriksson, Olle 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 473 KB

## Abstract Half‐metallic ferromagnets with high Curie temperatures are important ingredients for spintronics applications. These include diluted magnetic semiconductors and other ordered ferromagnetic compounds. In this paper, we present __ab‐initio__ density functional electronic structure calcul

Challenges for ab initio defect modeling
Challenges for ab initio defect modeling
✍ Peter Deák; Bálint Aradi; Thomas Frauenheim; Adam Gali 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 374 KB

Supercell calculations using density functional theory with local or semi-local exchange functionals have proved to be a very successful tool in defect engineering, apparently leading to some degree of overconfidence lately. With a case study on selected defects, we demonstrate that the approximatio