Ab initio structural and vibrational properties of GaAs diamondoids and nanocrystals
Gallium arsenide diamondoids structural and vibrational properties are investigated using density functional theory at the PBE/6-31(d) level and basis including polarization functions. Variation of energy gap as these diamondoids increase in size is seen to follow confinement theory for...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2014-12-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4904031 |