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Optical and Quantum Electronics

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01-05-2018

The dependence of the conduction band edge of the alkali earth metal bismuthates on their composition

Authors: Dmitry Sergeevich Shtarev, Artem Igorevich Blokh, Egor Olegovich Nashchochin, Anna Vladimirovna Shtareva

Published in: Optical and Quantum Electronics | Issue 5/2018

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Abstract

We present a comparative analysis of the conduction band edge of the alkali earth metal bismuthates containing Mg, Ca, Sr, and Ba. The conduction band edges were computed using the method suggested by Butler and Ginley. The calculations reveal that they depend on the bismuthate’s composition and vary over a wide range. We demonstrate that the energy of the conduction band increases in the series Ca → Sr → Ba. It also increases with an increase of the alkali earth metal content. The performed calculations help to determine the potential alkali earth metal bismuthate photocatalysts. The most promising compositions found in this study include strontium and barium bismuthates in which the number of the alkali earth metal atoms in the cationic sublattice exceeds the number of the bismuth atoms.

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Title: The dependence of the conduction band edge of the alkali earth metal bismuthates on their composition
Authors: Dmitry Sergeevich Shtarev
Artem Igorevich Blokh
Egor Olegovich Nashchochin
Anna Vladimirovna Shtareva
Publication date: 01-05-2018
Publisher: Springer US
Published in: Optical and Quantum Electronics / Issue 5/2018
Print ISSN: 0306-8919
Electronic ISSN: 1572-817X
DOI: https://doi.org/10.1007/s11082-018-1498-9

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