材料期刊网

By simulating the electron paramagnetic resonance (EPR) and optical spectra on the basis of the 120x120 complete energy matrix, this paper determines the local lattice structure parameters R(1) and R(2) for MCl:V(2+) (M=Na, K, Rb) systems at 77 K, 195 K and RT (room temperature 295 K or 302 K), respectively. The theoretical results indicate that there exists a compressed distortion in MCl:V(2+) systems. Meanwhile, it finds that the structure parameters R(1), R(2) and vertical bar Delta R vertical bar (= R(1) - R(2)) increase with the rising temperature. Subsequently, from the analysis it concludes that the relation of EPR parameter D vs. Delta R is approximately linear. Finally, the effects of orbital reduction factor k on the g factors for the three systems have been discussed.