Ab initio structural and vibrational properties of GaAs diamondoids and nanocrystals

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 diamondoids...

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Bibliographic Details
Main Authors:	Mudar Ahmed Abdulsattar, Mohammed T. Hussein, Hadeel Ali Hameed
Format:	Article
Language:	English
Published:	AIP Publishing LLC 2014-12-01
Series:	AIP Advances
Online Access:	http://dx.doi.org/10.1063/1.4904031

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