Electronic, Structural and Vibrational Properties of GaP Diamondoids and Nanocrystals: A Density Functional Theory Study
The electronic, structural and vibrational properties of gallium phosphide diamondoids and nanocrystals were investigated using density functional theory at PBE/6-31(d) level, which included polarization functions. The energy gap obeyed the quantum confinement size effect with shape fluctuations. Th...
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2015-05-01
|
| Series: | Nanomaterials and Nanotechnology |
| Subjects: | |
| Online Access: | http://www.intechopen.com/journals/nanomaterials_and_nanotechnology/electronic-structural-and-vibrational-properties-of-gap-diamondoids-and-nanocrystals-a-density-funct |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|