Simulation of structured 4T1→6A1 emission bands of Mn2+ impurity in Zn2SiO4: A first-principle methodology

A sequential, fully first-principle theoretical study of the Mn²⁺ green emission bands in the Zn₂SiO₄:Mn²⁺ phosphor is presented for the first time. A combined approach is developed based on the modern periodic density-functional theory and cluster ab initio wave-function-based electronic structure methods, the linear response theory for lattice phonons, and generating function formalism of vibronic spectra within the displaced multi-mode harmonic oscillator model. We obtain fairly good agreement between the calculated low- and high-temperature emission band positions, widths, zero-phonon lines and phonon wings and the available experimental emission studies, with special emphasis on Mn²⁺ distribution over two non-equivalent Zn²⁺ sites in the Zn₂SiO₄ material. An interpretation for vibronic structure observed in the low-temperature emission spectrum of this phosphor is suggested based on the present first-principle study.     

Production of fullerenes by a near infrared laser

Preparation of macroscopic amount of C₆₀ clusters (fullerenes) by the iodine laser is reported.     

Isomeric states in180Os

Two new isomers have been observed in¹⁸⁰Os. A high-K isomer withI, K ≧20 and a half-life ofT _1/2=12+4 ns have been established. It deexcites via two transitions into the 18⁺ level of the yrare band indicating an unusually smallK-hindrance factor. Evidence for an isomer withI, K>16 and a half-life ofT _1/2=41±10 ns was found. A half-life of 17±3 ns was measured for the previously known 7^? state at 1862 keV. The decay scheme of the previously known 7^? isomer at 1928 keV has been extended and a revised version is presented.