4.1 Article Proceedings Paper

First-Principles Study of the Surface of Wurtzite ZnO and ZnS - Implications for Nanostructure Formation

Journal

JOURNAL OF THE KOREAN PHYSICAL SOCIETY
Volume 54, Issue 2, Pages 867-872

Publisher

KOREAN PHYSICAL SOC
DOI: 10.3938/jkps.54.867

Keywords

Surface Energy; ZnO; ZnS; Nanostructure

Ask authors/readers for more resources

The microscopic properties of several ZnO and ZnS surfaces of low Miller index are investigated through first-principles calculation of the surface energy, crystal structure and electronic structure. Generally, the non-polar surfaces such as (10 (1) over bar0) and (11 (2) over bar0) are found to be more stable than the polar (0001)-Zn surface. The (11 (2) over bar0) surface is found to be the most stable for both ZnO and ZnS semiconductors and the (10 (1) over bar0) surface is found to have a slightly larger surface energy. These are consistent with the abundant observations of ZnO nanostructures having (11 (2) over bar0) and (10 (1) over bar0) surfaces. The near-surface structures and electronic structures are discussed.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.1
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available