Interfacial electronic properties of metal/CsSnBr₃heterojunctions

Area of Science:

• Materials Science
• Solid-State Physics
• Nanotechnology

Background:

• All-inorganic lead-free perovskite CsSnBr3 exhibits promising stability and optoelectronic properties.
• Understanding metal-perovskite interfacial electronic properties is crucial for device applications.

Purpose of the Study:

• To systematically investigate the interfacial properties of metal electrodes (Al, Ag, Au) and CsSnBr3 with different atomic terminals.
• To elucidate the impact of atomic terminals and metal choice on Schottky barrier formation.
• To explore methods for optimizing interfacial properties.

Main Methods:

• First-principles calculations were employed to study metal/CsSnBr3 interfaces.
• Analysis of different atomic terminals (SnBr2-T and CsBr-T) and their interaction strengths with metals.
• Investigation of Schottky barrier heights and tunneling barriers.

Main Results:

• Different metal-CsSnBr3 interfaces exhibit varied contact types and Schottky barriers.
• Al demonstrated the best contact performance with CsSnBr3, showing an ultra-low Schottky barrier and tunneling barrier.
• An external electric field effectively regulated the Schottky barrier, enabling Ohmic contact.

Conclusions:

• The choice of metal electrode and perovskite atomic terminal significantly influences interfacial electronic properties.
• Aluminum (Al) is identified as a superior contact material for CsSnBr3-based devices.
• External electric fields offer a viable strategy for tuning interfacial properties and achieving high-performance nanoelectronic devices.