Theoretical Study of Line and Terraces Defects on GaN(0001) Surface

DOI

10.2991/icmse-15.2015.114How to use a DOI?

Keywords

GaN (0001) surface, line defects, terrace, DFT

Abstract

a vacancy line defects on the [ ] and [ ] direction; the GaN single-layer terraces defects of GaN(0001) surfaces are studied by first-principle calculations based on density functional theory. The surface energy, charge density, and Mulliken charge population of defect surfaces are calculated, and the surface geometries of before and after optimization for clean and defect surfaces are compared. Upon completion of the result calculation, it was revealed that the surface atoms of the line defect on the [ ] direction actually relax along the same direction. The stability of defect surface in the [ ] direction is better than that in the [ ]direction. The terraces surface on the [ ] direction is the most stable, which is consistent with the experimental observation. Terraces surface platform on the [ ] and [ ] directions are respectively inclination 0.7° and 0.2° towards the [ ] and [ ] direction. Terrace defects can enhance the surface metallicity, which is helpful for the adsorption of exotic particles.

Copyright

© 2015, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

Download article (PDF)

TY  - CONF
AU  - Xiaoqin Liang
AU  - Lifen Qiu
AU  - Ping Huang
AU  - Chun Yang
PY  - 2015/12
DA  - 2015/12
TI  - Theoretical Study of Line and Terraces Defects on GaN(0001) Surface
BT  - Proceedings of the 2015 6th International Conference on Manufacturing Science and Engineering
PB  - Atlantis Press
SP  - 638
EP  - 645
SN  - 2352-5401
UR  - https://doi.org/10.2991/icmse-15.2015.114
DO  - 10.2991/icmse-15.2015.114
ID  - Liang2015/12
ER  -