The mixing of the 4f2 1S0 state with the 4f5d states in Pr3+ doped SrAl12O19

The S-1(0) state of Pr3+ in SrAl12O19 lies near to the 4f5d band. The admixing of the opposite parity 5d components by the crystal field without a symmetry center can be significant, thus affecting the properties of the S-1(0) state. In a crystal with D-3h symmetry, the major 4f5d components which can be mixed into S-1(0) are 2(-1,2)(\ fd Gamma (1) F-1(3) > -\ fd Gamma (1) F-1(3)-3 >) and 2(-1,2)(\ fd Gamma (1) H-1(5) 3 > - \ fd Gamma (1) H-1(5)-53 >). A calculation of the 4f5d wavefunctions indicates that the states which may be mixed into S-1(0) lie mainly at the middle and upper parts of the 4f5d configuration. The mixed 4f(2) S-1(0) wavefunction is then calculated and its spectral properties are discussed. (C) 2001 Elsevier Science B.V. All rights reserved.