YANG Zi-yuan, QU Shao-bo. Local Structure Study of Cr<sup>3+</sup>-Li<sup>+</sup> Centres in KCdF<sub>3</sub> Crystals[J]. Chinese Journal of Luminescence, 2001,22(1): 12-15
YANG Zi-yuan, QU Shao-bo. Local Structure Study of Cr<sup>3+</sup>-Li<sup>+</sup> Centres in KCdF<sub>3</sub> Crystals[J]. Chinese Journal of Luminescence, 2001,22(1): 12-15DOI:
The aim of the work is to study the local struture of KCdF
3
doped with Cr
3+
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
3+
ion in KCdF
3
:Cr
3+
Li
+
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
3+
and Li
+
ions doped into KCdF
3
crystals
Cr
3+
ions replace divalent Cd
2+
ions. Owing to the difference in charge
mass
and radius between Cr
3+
and Cd
2+
ion
the lattice distortion occurs to the local structure of Cr
3+
-Li
+
centres in KCdF
3
crystals. Due to the charge compensation
a Cd
2+
ion on [001]-axis will be replace by Li
+
ion. Because of these
the local structure distorts and local point symmetry around Cr
3+
changes from
O
h
to
C
4v
. According to the idea
the relationship between the zero field splitting D and crystal structure for Cr
3+
in KCdF
3
:Cr
3+
Li
+
crystals has been established by means of the superposition model and third order perturbation theory.The EPR zero field splitting parameter
D
has been investigated
taking account of both effect of lattice distortion and the equivalent charge.The calculated result(
D
=-0.06203cm
-1
) is in excellent agreement with experimental result(