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Centers of near-infrared luminescence in bismuth-doped TlCl and CsI crystals
Materials Science · Submitted 10 Apr 2013
abstract compiled · 2026-09-23 · no language-model review
The authors' main claim The calculated spectral properties of the bismuth centers suggest that the IR luminescence observed in TlCl:Bi is most likely caused by Bi--Vac(Cl) centers (Bi^+ ion in thallium site and a negatively charged chlorine vacancy in the nearest anion site).
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The abstract, sentence by sentence
A comparative first-principles study of possible bismuth-related centers in TlCl and CsI crystals is performed and the results of computer modeling are compared with the experimental data. The calculated spectral properties of the bismuth centers suggest that the IR luminescence observed in TlCl:Bi is most likely caused by Bi--Vac(Cl) centers (Bi^+ ion in thallium site and a negatively charged chlorine vacancy in the nearest anion site). On the contrary, Bi^+ substitutional ions and Bi_2^+ dimers are most likely responsible for the IR luminescence observed in CsI:Bi.
background contribution method result interpretation main claim
| # | sentence | role | the authors' own work | states the main conclusion | strength |
|---|---|---|---|---|---|
| s0 | A comparative first-principles study of possible bismuth-related centers in TlCl and CsI crystals is performed and the results of computer modeling are compared with the experimental data. | contribution 0.86 | 0.94 | 0.06 | asserted 0.94 |
| s1 | The calculated spectral properties of the bismuth centers suggest that the IR luminescence observed in TlCl:Bi is most likely caused by Bi--Vac(Cl) centers (Bi^+ ion in thallium site and a negatively charged chlorine vacancy in the nearest anion site). | interpretation 0.77 | 0.90 | 0.33 | hedged possibility 0.99 |
| s2 | On the contrary, Bi^+ substitutional ions and Bi_2^+ dimers are most likely responsible for the IR luminescence observed in CsI:Bi. | interpretation 0.59 | 0.84 | 0.22 | hedged possibility 0.99 |
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The paper
Original abstract
A comparative first-principles study of possible bismuth-related centers in TlCl and CsI crystals is performed and the results of computer modeling are compared with the experimental data. The calculated spectral properties of the bismuth centers suggest that the IR luminescence observed in TlCl:Bi is most likely caused by Bi--Vac(Cl) centers (Bi^+ ion in thallium site and a negatively charged chlorine vacancy in the nearest anion site). On the contrary, Bi^+ substitutional ions and Bi_2^+ dimers are most likely responsible for the IR luminescence observed in CsI:Bi.
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