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Intrinsic defect properties in halide double perovskites for optoelectronic applications

Materials Science 2018-08-17 v1 Computational Physics

Abstract

Lead-free halide double perovskites with the formula of quaternary A2+_2^+B'B'3+^{3+}X6_6^- have recently attracted intense interest as alternatives to lead-halide-perovskite-based optoelectronic materials for their non-toxicity and enhanced chemical and thermodynamic stability. However, the understanding of intrinsic defect properties and their effects on carrier transport and Fermi level tuning is still limited. In this paper, we show that, by exploring the phase diagram of a halide double perovskite, one can control the effects of intrinsic defects on carrier trapping and Fermi level pinning. We reveal the ideal growth conditions to grow p-type Cs2_2AgInCl6_6 and Cs2_2AgBiCl6_6 as well as semi-insulating Cs2_2AgBiBr6_6 with low trap density for targeted photovoltaic or visible-light/radiation detection application.

Keywords

Cite

@article{arxiv.1808.05330,
  title  = {Intrinsic defect properties in halide double perovskites for optoelectronic applications},
  author = {Tianshu Li and Xingang Zhao and Dongwen Yang and Mao-Hua Du and Lijun Zhang},
  journal= {arXiv preprint arXiv:1808.05330},
  year   = {2018}
}

Comments

12 pages, 10 figures