Effect of hydrostatic strain on the electronic transport properties of CsPbI3

Research output: Contribution to journalArticle

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

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

Fingerprint Dive into the research topics of 'Effect of hydrostatic strain on the electronic transport properties of CsPbI<sub>3</sub>'. Together they form a unique fingerprint.

  • Cite this