Document Type
Article
Publication Date
11-1-2013
Abstract
We report results from an efficient, ab initio method for self-consistent calculations of electronic and structural properties of Ge. Our non-relativistic calculations employed a GGA potential and LCAO formalism. The distinctive feature of our computations stem from the use of Bagayoko-Zhao-Williams-Ekuma- Franklin method. Our results are in agreement with experimental ones where the latter are available. In particular, our theoretical, indirect band gap (EgΓ-L) of 0.65 eV, at the experimental lattice constant of 5.66 Å, is in excellent agreement with experiment. Our predicted, equilibrium lattice constant is 5.63 Å, with corresponding EgΓ-L of 0.65 eV and a bulk modulus of 80 GPa. © 2013 Elsevier B.V. All rights reserved.
Publication Source (Journal or Book title)
Physics Letters, Section A: General, Atomic and Solid State Physics
First Page
2172
Last Page
2176
Recommended Citation
Ekuma, C., Jarrell, M., Moreno, J., & Bagayoko, D. (2013). Re-examining the electronic structure of germanium: A first-principle study. Physics Letters, Section A: General, Atomic and Solid State Physics, 377 (34-36), 2172-2176. https://doi.org/10.1016/j.physleta.2013.05.043