Synthesis and physical characteristics of narrow bandgap chalcogenide SnZrSe3

Background: The development of organic/inorganic metal halide perovskites has seen unprecedent growth since their first recognition for applications in optoelectronic devices. However, thermodynamic stability and toxicity remains a challenge considering wide-scale deployment the future. This spurred an interest search perovskite-inspired materials which are expected to retain advantageous material characteristics perovskites, but with high composed earth-abundant low elements. ABX3 chalcogenides (A, B=metals, X=Se, S) have been identified as potential class meeting aforementioned criteria. Methods: In this work, we focus on studying tin zirconium selenide (SnZrSe3) relevant physical properties aim evaluate its prospects application optoelectronics. SnZrSe3 powder monocrystals were synthesized via solid state reaction 600 – 750 °C temperature range. Crystalline structure was determined using single crystal X-ray diffraction methods. bandgap estimated from diffused reflectance measurements samples electrical crystals analysed dependent I-V measurements. Results: We found that needle-like (space group Pnma) following unit cell parameters: a=9.5862(4) Å, b=3.84427(10) c=14.3959(5) Å. origin symmetry crystalline associated stereochemical active electron lone pair Sn cation. Estimated around 1.15 eV higher than measured previously predicted theoretically. Additionally, it resistivity conductivity type depended compound chemical composition. Conclusions: Absorption edge infrared region bipolar dopability makes interesting candidate non-toxic single/multi-junction solar cells or other based devices.