Electronic structure calculations of lead tungstate PbWO 4 crystals with defects of molybdenum impurity |
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Authors: | YU A Hizhnyi S G Nedilko M U Bilyi |
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Institution: | Faculty of Physics , Taras Shevchenko Kyiv University , 6 Glushkova av., Kyiv , Ukraine |
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Abstract: | Lead tungstate PbWO 4 crystals are one of the most effective scintillation materials for calorimetric devices designed to detect elementary particles with extremely high energies 1]. The interest to PbWO 4 scintillation and luminescence properties increased noticeably in the recent years 1, v 2]. However, experimental results obtained for PbWO 4 optical properties, substantially differ for crystals, produced under different growing conditions. Such a variety led to the situation, that up to now there are no generally accepted explanations for the origin of luminescence centres in PbWO 4 . The electronic structure of possible luminescent centres in perfect lead tungstate crystals PbWO 4 and in the crystals with molybdenum impurity PbWO 4 :Mo is ab-initio calculated in order to elucidate the origin of luminescence in lead tungstate crystals. Conclusions concerning excitation of self luminescence in perfect crystals and defect luminescence in Mo-doped crystals are made on the basis of results of calculations and experimental data on luminescence and photo excitation of PbWO 4 and PbWO 4 :Mo crystals. |
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Keywords: | Lead Tungstate Defects Electronic Structure |
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