EPR and Optical Absorption Study of Cu ~(2+) Ions Doped in Potassium Hexaaquazinc (II) Sulphate (PHZS) Single Crystals

摘要

Single-crystal electron paramagnetic resonance (EPR) studies at X-band have been done on Cu ~(2+)-doped potassium hexaaquazinc (II) sulphate (PHZS) at room temperature. The spin Hamiltonian parameters g, A and their direction cosines are evaluated using standard diagonalization procedure with the help of a computer program. The EPR spectrum is simulated using EasySpin program to justify the calculations. The ground-state wave function of the Cu ~(2+) ion in this lattice is also determined, which is predominantly {pipe}x ~2 - y ~2〉. The optical absorption spectrum of Cu ~(2+) ions doped in PHZS single crystal at room temperature is also recorded and four main d-d transition bands in visible region are assigned. With the help of assigned bands, the crystal-field parameters (Dq, Ds and Dt) are evaluated. Finally, with the optical and EPR data, the nature of bonding in the complex is discussed.