Energetics of the Basic Allotropes of Carbon
S. G. Abdu, M. A. Adamu & M. Y. Onimisi · Physical Science International Journal · 2018
An effort was made in this work to calculate the total ground state energy and electronic band structure of Fullerenes (C60), Graphite and Diamond using FHI-aims Density Functional Theory (DFT) code. The density functionals used are the local-density approximation (LDA) in the pa...
Open access
Research Article
10.9734/PSIJ/2018/41778