Call of Papers for Current Volume **************** OnLine Submission of Paper

Title: Size variation GaAs nanocrystals properties using diamondiods structures

_____________________________________________________________________________

Title:
Size variation GaAs nanocrystals properties using diamondiods structures
Author Name:
Mohammed T.Hussein, Mudar A. Abdulsattar and Hadeel .A. Hameed
Abstract:
Study the electronic structure, FTIR and Raman spectra of GaAs III-V compound semiconductor as function of particle size and shape by using density functional theory at the generalized gradient approximation level of Perdew, Burke and Emzhof (PBE), through Gaussian 09 program with 3-21G basis states. The frequencies in the vibrational spectrum are analyzed against reduced masses, force constants and intensities of vibration. The results show that both total energy and energy gap decrease in their value as the nanocrystals cluster grow in size. Diamondiods structure molecule used to vary the nanoparticals size being of standard shape and size. Diamondiods have the least surface effects so the trends that can point towards bulk properties.
Back