Ab Initio Calculation of Vibrational Frequencies of ZnSe and the Raman Spectra

• Main Author: Ahmad Nazrul, Rosli
• Format: Conference Paper
• Language: English
• Published: AMER INST PHYSICS 2015
• Subjects: vibrational frequencies; DFT; ZnSe
• Online Access: http://ddms.usim.edu.my/handle/123456789/8888
• Institution: Universiti Sains Islam Malaysia

The single layer of ZnSe has been studied to understand the structure using density functional theory. The vibrational frequencies of several cluster of ZnSe have been calculated when the Kohn-Sham equation solved at the ground state energy. We have done the calculation for 34 models of ZnSe cluster...