Electronic, Structural and Vibrational Properties of GaP Diamondoids and Nanocrystals: A Density Functional Theory Study

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...

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Bibliographic Details
Main Authors: Mudar Ahmed Abdulsattar, Bahjat B. Kadhim, Huda M. Jawad
Format: Article
Language:English
Published: Hindawi - SAGE Publishing 2015-05-01
Series:Nanomaterials and Nanotechnology
Subjects:
Diamondoids
DFT
Nanocrystals
Online Access:http://www.intechopen.com/journals/nanomaterials_and_nanotechnology/electronic-structural-and-vibrational-properties-of-gap-diamondoids-and-nanocrystals-a-density-funct

Internet

http://www.intechopen.com/journals/nanomaterials_and_nanotechnology/electronic-structural-and-vibrational-properties-of-gap-diamondoids-and-nanocrystals-a-density-funct

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