Crystal Structure Dependence of Hole Stability in Ionic Crystals
作者： Y. Nakaoka
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摘要: The stability of self-trapped holes in ionic crystals with NaCl and CsCl structures is studied on the basis small polaron theory. model Hamiltonian contains four free parameters: coupling constants for hole acoustic optical phonons, site off-diagonal coupling, mass ratio cation to anion. overall systematic features are investigated by means phase diagrams space spanned parameters. It found that drastically depends crystal structure. By fitting parameters, results obtained which agree experiments. Nous avons etudie la stabilite des trous auto-pieges dans les cristaux ioniques aux et conformement a theorie du petit polaron. L'hamiltonien modele contient quatre parametres libres; constantes de couplage trou avec phonons acoustiques optiques, le site-non diagonal, rapport masses l'anion. Les traits globaux systematiques sont recherches au moyen diagramme l'espace parametres. On trouve que depend rigoureusement structure cristalline. En ajustant parametres, nous obtenu resultats qui d'accord ceux obtenus experimentalement.
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