Pressure-Induced Stabilization of Sodium Halide Perovskites

Author(s)

Caturello, Naidel A. M. S. ; Sabino, Fernando P. ; Souza, Jose A. ; Dalpian, Gustavo M.

• Document type: Journal article
• Source: Journal of Physical Chemistry C; v. 126, n. 8, p. 7-pg., 2022-03-03.

Abstract

Halide perovskites with the chemical formula ABX(3) are promising materials for solar energy harvesting, with their Asite playing an important role in giving stability for the 3D corner-sharing octahedron BX6, forming the perovskite structure. In its inorganic family, the perovskite A-site is usually occupied by Cs, and when lighter atoms such as Na and K are introduced, the perovskite structure becomes unstable compared to other crystal structures. Here, we show that relatively low pressures, ranging from 6.1 to 7.0 GPa, can stabilize Na-based perovskites. We have also found that the band gap energy of these compounds decreases as a function of pressure, revealing a transition from semiconducting to metallic behavior at pressures larger than 50 GPa. These results present a pathway for the stabilization of new perovskites that can be extended to other systems composed of small ions. (AU)

• FAPESP's process: 19/21656-8 - Big Data methods to tune perovskites to target properties: alloys, defects and doping
• Grantee: Fernando Pereira Sabino
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• FAPESP's process: 18/15682-3 - Synthesis and Physical Properties Characterization of Micro/Nanostructured Semiconducting Materials
• Grantee: José Antonio Souza
• Support Opportunities: Regular Research Grants
• FAPESP's process: 17/02317-2 - Interfaces in materials: electronic, magnetic, structural and transport properties
• Grantee: Adalberto Fazzio
• Support Opportunities: Research Projects - Thematic Grants
• FAPESP's process: 20/11560-0 - Computational assessment of the influence of polymorphic domains on the properties of hybrid perovskites
• Grantee: Naidel Antonio Moreira dos Santos Caturello
• Support Opportunities: Scholarships in Brazil - Post-Doctoral