Electronic States of F-Centers in Alkali Halide Crystals

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概要

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• The electronic states of F-centers in alkali halides with Nail-type strtrcture have been investigated using the discrete variational (DV) Xa cluster method. The electronic transitionaccompanied by optical absorption is examined on the basis of Slater's transition state concept.The photo-absorption energies of F-centers computed for the compounds with relatively smallanions agree well with experimental data, but those for iodides and bromides exhibit much lowervalues than the observed values. We have also investigated the change in the absorption energyby the atom displacement. By the inward displacement of lst neighbor cations, the absorptionenergies are decreased to approach the experimental valtres. The relaxation of the lst neighborsestimated from the computation exhibits fairly small values in fluorides, while large values in io-dides and bromides. The effect of lattice relaxation around an F-center is discussed in connectionwith the bonding nature of the F-center level.

• 社団法人日本物理学会の論文
• 1996-08-15

著者

• TANAKA Isao

  Department of materials science and engineering, Kyoto University

• ADACHI Hirohiko

  Department of materials science and engineering, Kyoto University

• Tanaka Isao

  Department Of Materials Science And Engineering Kyoto University

• Tanaka I

  Division Of Biological Science Graduate School Of Science Hokkaido University

• Adachi H

  Kyoto Univ. Kyoto

• Adachi Hirohiko

  Department Of Material Science And Engineering Kyoto University

• Matsunaga Katsuyuki

  Department Of Materials Science And Engineering Kyoto University

• Adachi H

  Department Of Physics Kyoto University

• Adachi H

  Central Research Laboratories Matsushita Electric Ind. Co.

• NARITA Nobutaka

  Department of Metallurgy, Kyoto University

• Narita Nobutaka

  Department Of Materials Science And Engineering Faculty Of Engineering Kyoto University

• Narita Nobutaka

  Department Of Applied Science For Integrated System Engineering Graduate School Of Engineering Kyush

• Matsunaga K

  Kyoto Univ. Kyoto Jpn

• Tanaka I

  Fukui Prefecture Agricultural Experiment Station Fukui Jpn

• Adachi Hirohiko

  Department Of Chemistry Hyogo University Of Teacher Education

• Tanaka Isao

  Department Of Internal Medicine Suzuka Kaisei Hospital

• Adachi Hirohiko

  Department of Materials Science and Engineering,Kyoto University

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