Numerical Calculation of Schottky Defect Energies in Alkali Halides Interacting Via Coulomb Potential
| dc.contributor.advisor | Marx, Veit (PhD) | |
| dc.contributor.author | Ayana, Tamiru | |
| dc.date.accessioned | 2018-06-25T09:19:05Z | |
| dc.date.accessioned | 2023-11-09T16:17:56Z | |
| dc.date.available | 2018-06-25T09:19:05Z | |
| dc.date.available | 2023-11-09T16:17:56Z | |
| dc.date.issued | 1996-10 | |
| dc.description.abstract | The electrostatic energy of a cluster up to 2000 ions can be calculated by numerical summation of the Coulomb interactions between all cluster ions. The energy difference between a cluster with a point defect and the corresponding perfect cluster represents the formation energy of the defect. Formation energies of Schottky-like defects in 16 alkali halides (Li-Rb, F-I) were calculated. It can be shown, that the relative positions of the vacancies and the position of the removed ions on the surface have a strong influence on the energy of the defect formation process. | en_US |
| dc.identifier.uri | http://etd.aau.edu.et/handle/12345678/3128 | |
| dc.language.iso | en | en_US |
| dc.publisher | Addis Ababa Universty | en_US |
| dc.subject | Schottky Defect Energies | en_US |
| dc.title | Numerical Calculation of Schottky Defect Energies in Alkali Halides Interacting Via Coulomb Potential | en_US |
| dc.type | Thesis | en_US |