ArticleRSC advances2024
Exploring the structural, mechanical, electronic, thermodynamic and thermoelectric properties of caesium based ABX
Article in RSC advances, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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2 authors.
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Abstract
Here, we have investigated properties of caesium based halide perovskites with the help of density functional theory. We employed the generalized gradient approximation (GGA) functional to determine the structural characteristics. Conversely, for evaluating the electronic and thermoelectric properties of these materials we utilized the modified Becke and Johnson (mBJ) potential functional. Our findings indicate that these materials exhibit semiconducting properties. Furthermore, our analysis of the transport properties using the Boltzmann transport equation indicates that the studied perovskites are well-suited for thermoelectric applications.
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