Author:
Soni Sahil,Ahlawat Dharamvir Singh
Abstract
In this work, we have calculated the structural and electronic properties of Sc doped GaN in different configurations. This study has been done using first principles full potential linearized argumented plane wave (FP-LAPW) method within the framework of Density Functional Theory. Here we used the generalized gradient approximation (GGA) of Perdew, Burke and Ernzerhof for exchange and correlation effects. Our results obtained for structural parameters and band structures are in good agreement with experimental results as well as other theoretical work.
Publisher
World Science Publications
Reference15 articles.
1. J. W. Orton and C. T. Foxon, Rep. Prog. Phys. 61, 1 (1998).
2. S. C. Jain, M. Willander, J. Narayan, and R. Van Overstraeten, J. Appl. Phys. 87, 965 (2000).
3. I. Vurgaftman and J. R. Meyer, J. Appl. Phys. 94, 3675 (2003).
4. Daoudi B, Boukraa A (2010) The structural and electronic properties of GaN under high pressure. Ann Sci Technol 2(1):19–26.
5. Moustakas T, Pankove J, Willardson R, Weber E (1999) Gallium nitride (GaN) II, vol 57. Academic Press, San Diego.