Interfacial electronic properties of metal/CsSnBr3heterojunctions

Jing Li; Xinwei Guo; Bo Cai; Yang Hu; Gaoyu Liu; Tingting Guo; Xiufeng Song; Haibo Zeng; Shengli Zhang

doi:10.1088/1361-6528/ac70e6

Interfacial electronic properties of metal/CsSnBr₃heterojunctions

Nanotechnology. 2022 Jun 7;33(34). doi: 10.1088/1361-6528/ac70e6.

Authors

Jing Li¹, Xinwei Guo¹, Bo Cai¹, Yang Hu¹, Gaoyu Liu¹, Tingting Guo¹, Xiufeng Song¹, Haibo Zeng¹, Shengli Zhang¹

Affiliation

¹ MIIT Key Laboratory of Advanced Display Materials and Devices, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, People's Republic of China.

PMID: 35584638
DOI: 10.1088/1361-6528/ac70e6

Abstract

All-inorganic lead-free perovskite CsSnBr₃, has been proved good stability and optoelectronic properties in theory and experiment. However, the interfacial electronic properties of metal/CsSnBr₃are still unclear in electronic devices. Herein, we systematically investigate the interfacial properties of metal electrodes (Al, Ag and Au) and CsSnBr₃with different atomic terminals (SnBr₂-T and CsBr-T) through the first-principles calculation. SnBr₂-T and CsBr-T have various contact types and Schottky barriers due to their different interaction strengths with metals. In particular, the moderate interlayer coupling strength with Al leads to the ultra-low Schottky barrier and tunneling barrier, which makes Al possess the best contact performance among the studied metals. Furthermore, the external electric field can be effective in regulating the Schottky barrier and realizing the Ohmic contact. These findings provide useful guidance for the design of perovskite-based nanoelectronic devices with high performance.

Keywords: CsSnBr3; Schottky barrier; interfacial properties; lead-free perovskite.