Wydział Chemii

Mirosław Karbowiak

Agnieszka Urbanowicz

M. F. Reid

2007

Physical Review B

76

1-9

10.1103/PhysRevB.76.115125

Naukowa

Angielski

Artykuł

The 4f6→4f55d1 absorption spectrum of the Sm2+ ions incorporated in a SrCl2 single crystal was recorded at 4.2 K in the 15 000–45 000 cm−1 spectral range. The overall spectrum is very satisfactorily simulated by theoretical calculations performed in the frame of the semi-empirical Hamiltonian model. The calculations enabled the assignment of all bands observed in the spectrum as well as a prediction of some experimentally unobserved transitions in the 45 000–55 000 cm−1 region. The rich vibronic structure observed for absorption bands in the 15 000–25 000 cm−1 spectral region is dominated by the vibronic progressions in the totally symmetric Sr-Cl stretching mode of ∼213 cm−1 upon the thirteen zero phonon lines and local vibration modes at ∼81 cm−1 and ∼116 cm−1. This multiphonon vibronic spectrum is very well reproduced by the model calculation.

https://doi.org/10.1103/PhysRevB.76.115125