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Shell-model calculation of defect energies in alkali halides employing crystal-independent interionic potential parameters
Communication No. 11 from the Solid State and Structural Chemistry Unit, Indian Institute of Science.
https://doi.org/10.1142/9789812795892_0023Cited by:0 (Source: Crossref)
Abstract:
Shell model calculation of defect energies in alkali halides have been carried out using the ion-dependent, crystal-independent potential parameters of Sangster and Atwood (1978). Results indicate that appreciable differences exist between barrier heights for migration of cations and anions. While barrier heights for cations are generally lower than for anions in alkali halides of NaCl structure, the opposite is true in alkali halides of CsCl structure.
