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cond-mat.mtrl-sci2020
Computational Study of Defect variant Perovskites A2BX6 for Photovoltaic Applications
M. Faizan, K. C. Bhamu, S. H. Khan +2
A comprehensive study of the structural, electronic, and optical properties of lead-free perovskites has been carried out by means of first principles method based on DFT. The calc…
cond-mat.mtrl-sci2018
First-principles calculations of Sc2CdS4 and Y2CdS4 compounds
Abdul Ahad Khan, Zubaida Noor, G. Murtaza
Direct energy bandgap materials are crucial for the efficient optoelectronics devices. Therefore, the investigation of new direct gap materials is important. In the present work, t…