𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Native defect properties in β-SiC: Ab initio and empirical potential calculations

✍ Scribed by Fei Gao; Eric J. Bylaska; William J. Weber; L.René Corrales


Book ID
114164740
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
94 KB
Volume
180
Category
Article
ISSN
0168-583X

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Formation and properties of defects and
✍ F. Gao; W.J. Weber; H.Y. Xiao; X.T. Zu 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 257 KB

Large-scale ab initio simulation methods have been employed to investigate the configurations and properties of defects in SiC. Atomic structures, formation energies and binding energies of small vacancy clusters have also been studied as a function of cluster size, and their relative stabilities ar

Comparison of threshold displacement ene
✍ G. Lucas; L. Pizzagalli 📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 204 KB

Using classical molecular dynamics and ab initio calculations, we have determined threshold displacement energies in cubic silicon carbide, in order to understand the large disparity of values available in literature. First, we checked the influence of simulation parameters such as the box size and