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Calculation of the Mollwo-Ivey parameters in the point-ion approximation

 

作者: M.S. Malghani,   D.Y. Smith,  

 

期刊: Radiation Effects and Defects in Solids  (Taylor Available online 1995)
卷期: Volume 134, issue 1-4  

页码: 101-106

 

ISSN:1042-0150

 

年代: 1995

 

DOI:10.1080/10420159508227192

 

出版商: Taylor & Francis Group

 

关键词: Color Centers;Electron-Excess Centers;F Center;U Center;Mollwo-Ivey;Ivey Law

 

数据来源: Taylor

 

摘要:

We report the first general calculation of the empirical parameters appearing in the Mollwo-Ivey relation between absorption energy and interionic spacing for defects in ionic solids. The calculation is based on the Vinti sum-rule formulation of the Mollwo-Ivey law [Phys. Rev. Lett.69, 184 (1992)], a self-consistent Hartree-Fock-Slater procedure for defect ions, and a host-crystal environment modeled in the point-ion approximation. The Ivey exponent is reproduced in most cases to within better than 20% using this model in the alkali halides. The wide range of Ivey exponents can be qualitatively understood in terms of the compressibility of the defect.

 

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