Calculation of Schottky Defect Formation Energies in Alkali Halides by Numerical Summation of Coulomb, Repulsive and Van Der Waals Interactions

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dc.contributor.advisorMarx, V. (PhD)
dc.contributor.authorChanyalew, Sisay
dc.date.accessioned2018-06-22T08:22:07Z
dc.date.accessioned2023-11-09T16:17:53Z
dc.date.available2018-06-22T08:22:07Z
dc.date.available2023-11-09T16:17:53Z
dc.date.issued2000-06
dc.description.abstractSchottky formation energy of some sixteen alkali halides with NaCl structure and cluster size of 1728 ions was calculated using numerical summation of Coulomb, repulsive and Van der Waals interaction. The energy difference between a cluster with a point defect and the corresponding perfect cluster represents the formation energy of defects. It could be shown that the structure of vacancies in the bulk and the surface position of the removed ion have a strong influence on the formation energy Schottky defects.en_US
dc.identifier.urihttp://etd.aau.edu.et/handle/12345678/2930
dc.language.isoenen_US
dc.publisherAddis Ababa Universtyen_US
dc.subjectFormation energy halides with NaClen_US
dc.titleCalculation of Schottky Defect Formation Energies in Alkali Halides by Numerical Summation of Coulomb, Repulsive and Van Der Waals Interactionsen_US
dc.typeThesisen_US

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