Study of the forbidden energy region in solids with diamond structure: Application to Silicon Si
DOI:
https://doi.org/10.15381/rif.v21i2.20232Keywords:
LMTO orbitals, energy bands and DOS, crystal lattice of diamondAbstract
Forbidden power of silicon with crystal structure of diamond is determined indirectly from the electronic structure: energy bands and the density of States both in the ground state T = 0°K. Using the method of the orbital linear Muffin-Tin (LMTO) together with an effective potential of the solid Schrödinger equation was solved and obtained energy bands and the density of States. The minimum total energy -16.85 Ry per unit cell, occurs for maximum transfer of load to empty sphere on the diagonal of the Crystal network. Associated forbidden energy gap is 0.099 Ry which is equivalent to 1.35 eV, a value close to the experimental gap of 1.17 eV that already exists in the literature.
Downloads
Published
Issue
Section
License
Copyright (c) 2018 César Cabrera
![Creative Commons License](http://i.creativecommons.org/l/by-nc-sa/4.0/88x31.png)
This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.
THE AUTHORS RETAIN THEIR RIGHTS:
a. The authors retain their trademark and patent rights, as well as any process or procedure described in the article.
b. The authors retain the right to share, copy, distribute, perform and publicly communicate the article published in the Revista de Investigación de Física (for example, place it in an institutional repository or publish it in a book), with an acknowledgment of its initial publication in the Revista de Investigación de Física.
c. The authors retain the right to make a subsequent publication of their work, to use the article or any part of it (for example: a compilation of their works, notes for conferences, thesis, or for a book), provided that they indicate the source. of publication (authors of the work, journal, volume, number and date).