A DFT studies of structural and quadrupole coupling constants properties in C-doped BeO nanotubes

Article ID	Journal	Published Year	Pages	File Type
1554223	Superlattices and Microstructures	2011	10 Pages	PDF

Abstract

âº The influence of C-doping on the CQ parameters is significant in the C-doped structures. âº The changes in the values of CQ parameters are more in the zigzag model than other model. âº The CQ parameters of the O atoms bonded to C atom are more influenced than those of the Be atoms.

Keywords

Density functional theory Carbon doping Electric field gradient

Related Topics

Physical Sciences and Engineering Materials Science Electronic, Optical and Magnetic Materials

Preview

A DFT studies of structural and quadrupole coupling constants properties in C-doped BeO nanotubes

Authors

Ahmad Seif, Ehsan Zahedi,