Study of the applicability of local empirical pseudopotentials in the calculation of the electronic structure of aluminum and silicon.

Authors

  • L. Otiniano Facultad de Ciencias, Universidad Nacional de Ingeniería. Lima, Perú
  • M. Ruiz Facultad de Ciencias, Universidad Nacional de Ingeniería. Lima, Perú
  • R. Fernández Facultad de Ciencias, Universidad Nacional de Ingeniería. Lima, Perú
  • P. Mendoza Facultad de Ciencias, Universidad Nacional de Ingeniería. Lima, Perú
  • C. V. Landauro Facultad de Ciencias, Universidad Nacional de Ingeniería. Lima, Perú

Keywords:

Electronic Structure, Pseudopotentials

Abstract

In this work, local empirical pseudopotentials are used to study the electronic structure of aluminum and silicon in order to obtain a unified, yet simple, procedure for describing different types of materials. It is also shown that for real cases the first-order perturbation theory fails to describe the width of the forbidden energy band. A more adequate description requires the use of second- and third-order terms. The influence of the cutoff radius (which is a free parameter in pseudopotential theory) is studied in detail. Pressure and dilatation effects on the material are also discussed.

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References

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Published

2006-06-01

How to Cite

Otiniano, L., Ruiz, M., Fernández, R., Mendoza, P., & Landauro, C. V. (2006). Study of the applicability of local empirical pseudopotentials in the calculation of the electronic structure of aluminum and silicon. Journal of the Science Faculty @ UNI, 10(1), 33–41. Retrieved from https://revistas.uni.edu.pe/index.php/revciuni/article/view/2412

Issue

Vol. 10 No. 1 (2006)

Section

Artículos

License

Copyright (c) 2006 Journal of the Science Faculty @ UNI

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