Centers of near-IR luminescence in Bi-doped SiO2 and GeO2: First-principle modeling and experimental data analysis

2013/05/19 by V. O. Sokolov, Sokolov, V. O., V. G. Plotnichenko +3
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.1305.4338

12 pages, 7 figures

arxiv created 2013/05/22 · arxiv updated 2013/05/23

Abstract

First-principle study of possible bismuth-related centers in SiO2 and GeO2 hosts is performed and the results are compared with the experimental data. The following centers are modeled: trivalent and divalent Bi substitutional centers; BiO interstitial molecule; interstitial ion, Bi⁺, and atom, Bi⁰; Bi...Si-Si and Bi...Ge-Ge complexes formed by interstitial Bi atoms and glass intrinsic defects, Si-Si or Ge-Ge oxygen vacancies; interstitial dimers, Bi0 and Bi₂^-. Experimental data available on bismuth-related IR luminescence in SiO2:Bi and GeO2:Bi glasses, visible (red) luminescence in SiO2:Bi glass and the luminescence excitation are analyzed. Comparison of the calculated spectral properties of the bismuth-related centers with the experimental data shows that IR luminescence in SiO2:Bi and GeO2:Bi is most likely caused by Bi...Si-Si and Bi...Ge-Ge complexes and divalent Bi substitutional center is probably responsible for the red luminescence in SiO2:Bi.

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