Clusters of GaAs Prepared by Quantum Mechanical DFT and the Nanowire Raman Spectra

• المؤلفون الرئيسيون: Ahmad Nazrul, Rosli,, Hasan, Abu Kassim,, Keshav N., Shrivastava,
• التنسيق: مقال
• اللغة: English
• منشور في: Universiti Kebangsaan Malaysia 2015
• الموضوعات: Cluster; DFT; Gaas; Raman Spectra; Vibrational Frequencies
• الوصول للمادة أونلاين: http://ddms.usim.edu.my/handle/123456789/8087

We studied the clusters of GaAs by using the density functional theory simulation to optimize the structure. We determined the binding energy, bond lengths, Fermi energy and vibrational frequencies for all of the clusters. We use the Raman data of nanowires of GaAs to compare our calculated values w...