Local Structure Study of Cr3+-Li+ Centres in KCdF3 Crystals

YANG Zi-yuan; QU Shao-bo

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Local Structure Study of Cr³⁺-Li⁺ Centres in KCdF₃ Crystals

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- Local Structure Study of Cr³⁺-Li⁺ Centres in KCdF₃ Crystals
- Chinese Journal of Luminescence Vol. 22, Issue 1, Pages: 12-15(2001)
- 作者机构：
  
  1. 宝鸡文理学院应用物理研究所,陕西宝鸡,721007
  2. 西安空军工程学院基础部,陕西西安,710038
- 作者简介：
- 基金信息：
- DOI：
  CLC： O482.3
- Received：11 August 2000，
  
  Revised：13 November 2000，
  
  Published：28 February 2001
- 稿件说明：
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杨子元, 屈绍波. KCdF3晶体中Cr3+-Li+中心局域结构研究[J]. 发光学报, 2001,22(1): 12-15

YANG Zi-yuan, QU Shao-bo. Local Structure Study of Cr3+-Li+ Centres in KCdF3 Crystals[J]. Chinese Journal of Luminescence, 2001,22(1): 12-15
杨子元, 屈绍波. KCdF3晶体中Cr3+-Li+中心局域结构研究[J]. 发光学报, 2001,22(1): 12-15 DOI：

YANG Zi-yuan, QU Shao-bo. Local Structure Study of Cr3+-Li+ Centres in KCdF3 Crystals[J]. Chinese Journal of Luminescence, 2001,22(1): 12-15 DOI：

摘要

利用零场分裂参量与晶体结构之间的定量关系

研究了双掺杂晶体KCdF

:Cr

的局域结构。指出

对于KCdF

:Cr

晶体

四角晶场的形成包含两个方面:(1)由于电荷补偿而产生的等效电荷形成的四角对称晶场;(2)Cr

的局域结构发生晶格畸变而产生的四角对称晶场。事实上

当Cr

和Li

掺入KCdF

晶体时

代替了Cd

离子;由于Cr

离子与Cd

离子的半径不同、电荷不同、质量不同

导致Cr

的局域结构发生晶格畸变

由此而产生四角对称晶场;由于电荷补偿

离子取代了[001]方向与Cr

离子邻近的Cd

离子

由此产生的等效电荷而形成的四角晶场。这样

的局域结构由

对称变为

点对称。文中建立了ZFS参量和晶体结构之间的定量关系。在考虑晶格畸变和等效电荷的基础上

研究了KCdF

:Cr

晶体的ZFS参量

理论结果和实验符合很好。得到了F

离子向中心离子分别移动为

=0.00268nm

=0.001nm

=0.00165nm。

Abstract

The aim of the work is to study the local struture of KCdF

doped with Cr

and Li

ions by means of the quantitative relationship between the ZFS parameter and the crystal structure.The present work suggests that the tetragonal crystal field of Cr

ion in KCdF

:Cr

crystals comes from following two origins:(1) The equivalent charge caused by the charge compensation in the [001]-axis direction. (2) The lattice distortions of the nearest-neighbor fluorine coordination.In fact

when Cr

and Li

ions doped into KCdF

crystals

ions replace divalent Cd

ions. Owing to the difference in charge

mass

and radius between Cr

and Cd

ion

the lattice distortion occurs to the local structure of Cr

-Li

centres in KCdF

crystals. Due to the charge compensation

a Cd

ion on [001]-axis will be replace by Li

ion. Because of these

the local structure distorts and local point symmetry around Cr

changes from

. According to the idea

the relationship between the zero field splitting D and crystal structure for Cr

in KCdF

:Cr

crystals has been established by means of the superposition model and third order perturbation theory.The EPR zero field splitting parameter

has been investigated

taking account of both effect of lattice distortion and the equivalent charge.The calculated result(

=-0.06203cm

-1

) is in excellent agreement with experimental result(

=-0.06212(5)cm

-1

).Meanwhile

the results

the F

ion moves toward the central Cr

ion by

=0.00268nm

=0.001nm

=0.00165nm

are obtained.

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