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Density-functional study of the structure and stability of ZnO surfaces

✍ Scribed by Meyer, B.; Marx, Dominik


Book ID
118131634
Publisher
The American Physical Society
Year
2003
Tongue
English
Weight
516 KB
Volume
67
Category
Article
ISSN
1098-0121

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Structure and stability of small boron c
✍ Ihsan Boustani πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 395 KB

The structure and stability of small boron clusters B,, (n = 2-14) have been investigated employing density functional theory. The search for minima was performed using gradient methods at the local spin density level. Most of the final structures prefer planar or quasi-planar forms and can be consi