Search

Article

x

留言板

尊敬的读者、作者、审稿人, 关于本刊的投稿、审稿、编辑和出版的任何问题, 您可以本页添加留言。我们将尽快给您答复。谢谢您的支持!

姓名
邮箱
手机号码
标题
留言内容
验证码

The colour centers and self-trapped exciton in KMgF33

Liu Mei Huang Gui-Qin Chen Ling-Fu

The colour centers and self-trapped exciton in KMgF33

Liu Mei, Huang Gui-Qin, Chen Ling-Fu
PDF
Get Citation

(PLEASE TRANSLATE TO ENGLISH

BY GOOGLE TRANSLATE IF NEEDED.)

Metrics
  • Abstract views:  2986
  • PDF Downloads:  938
  • Cited By: 0
Publishing process
  • Received Date:  14 January 2004
  • Accepted Date:  13 September 2004
  • Published Online:  19 April 2005

The colour centers and self-trapped exciton in KMgF33

  • 1. (1)东南大学物理系,南京 210096; (2)南京师范大学物理系,南京 210097

Abstract: The ab initio method is used to model the colour centers and self-trapped excit ons in KMgF33. The geometry optimization of the defect cluster, incl uding the F center, shows that the relaxation of the lattice around the F center is very small. The calculated Mulliken populations for F center in its ground state and excite state show that the ground state wavefunction of F center is well localized, but the excited state wavefunction of it is more diffuse. Furthermore, our results show that the VKK center moves toward the nearby interstitia l site , but keeping the molecular axis along the[110] direction. The relaxation of the self-trapped excitons consists of an axial translation superimposed wit h a rotation. The calculated excitation energies of F center, VKK ce nter a nd the emission energy of self-trapped exciton are compared with their experim ental values.

Catalog

    /

    返回文章
    返回