Effect of hydrostatic strain on the electronic transport properties of CsPbI3

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1 Citation (Scopus)

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.

Original languageEnglish
Pages (from-to)314-317
Number of pages4
JournalComputational Materials Science
Volume137
DOIs
Publication statusPublished - 1 Sep 2017

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Hydrostatics
Electronic Properties
Transport Properties
hydrostatics
Transport properties
transport properties
electronics
perovskites
ballistics
halides
Electronics
Tensile strain
Ballistics
Bias voltage
Charge Transport
engineering
electrostatics
Charge transfer
Electrostatics
Band Gap

Keywords

  • Electronic transport
  • Lead-halide perovskite

ASJC Scopus subject areas

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics

Cite this

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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 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.",
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AB - 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.

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