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Effect of hydrostatic strain on the electronic transport properties of CsPbI3

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Abstract We conducted ballistic conductance calculations to study the effect of hydrostatic strain on the electronic transport properties of α -CsPbI3. We found that the strain has a profound effect… Click to show full abstract

Abstract We conducted ballistic conductance calculations to study the effect of hydrostatic strain on the electronic transport properties of α -CsPbI3. We found that the strain has a profound effect on the electronic transport in the system. For example, for a given value of applied voltage bias the current decreases almost linearly with increasing the tensile strain. On the contrary, compression increases the charge transport and reduces the band gap of the material. The obtained results are explained by strain-induced spatial variations of electronic density in the system, as revealed in our density-derived electrostatic and chemical partial charge calculations. The obtained results can be useful in enhancing photovoltaic performance of lead-halide perovskites by strain engineering.

Keywords: strain; electronic transport; effect hydrostatic; hydrostatic strain

Journal Title: Computational Materials Science
Year Published: 2017

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