Zero-field splittings and local tilting angles tauMn2+ for Mn2+ in ZnGeP2 and CdGeP2 crystals.
The electron paramagnetic resonance (EPR) zero-field splittings (ZFSs) D of Mn2+ in ZnGeP2 and CdGeP2 crystals are calculated from both the microscopic spin-orbit coupling mechanism and the empirical superposition model. From the calculations, the ZFS D of ZnGeP2:Mn2+ is reasonably explained by using the local tilting angle tauMn2+ (rather than the corresponding angle tauZn2+ in the host crystal) and the local tilting angle tauMn2+ (which has not been reported) in CdGeP2:Mn2+ is estimated. The intrinsic ZFS parameter b2(R0) approximately -0.052(6)cm(-1) (with R0 approximately 2.43 angstroms) is suggested for Mn2+-P(3-) combination by using the local tilting angles tauMn2+. The value is quite unlike that (approximately 0.4(2)cm(-1)) obtained in the previous paper by combining the crystallographic data of host crystals with the ZFSs for Mn2+ ions in crystals. The reasonableness of these results is discussed.
Hong-Gang
Liu
L
Department of Material Science, Sichuan University, Chengdu 610064, PR China.
Xiao-Xuan
Wu
W
Wen-Chen
Zheng
Z
D002104:Cadmium / Q000737:chemistry*; D002413:Cations, Divalent / Q000737:chemistry; D003460:Crystallization; D005857:Germanium / Q000737:chemistry*; D008345:Manganese / Q000737:chemistry*; D008956:Models, Chemical; D010720:Phosphines / Q000737:chemistry*; D015032:Zinc / Q000737:chemistry*
D002413:Cations, Divalent; D010720:Phosphines; D005857:Germanium; D002104:Cadmium; D008345:Manganese; D015032:Zinc