Combined experimental and theoretical investigation of optical, structural, and electronic properties of CH3NH3SnX3 thin films (X=Cl,Br)

Fabio Chiarella, Andrea Zappettini, Francesca Licci, Ivo Borriello, Giovanni Cantele, Domenico Ninno, Antonio Cassinese, and Ruggero Vaglio
Phys. Rev. B 77, 045129 – Published 25 January 2008

Abstract

Well-oriented thin films of methyl-ammonium trihalogenostannates CH3NH3SnX3 compounds (X=Cl,Br) are grown by the single source thermal ablation technique. Optical absorption and structural analysis of CH3NH3SnX3 thin films are combined with ab initio calculations in order to clarify their electronic properties and the role of the organic cation. The structural calculations reproduce well the measured lattice parameters, and optical measurements reveal a direct gap absorption onset for both compounds, in agreement with the calculated band structures. It turns out from projected density of states analysis that the valence and conduction bands take negligible contribution from the methylammonium. It is inferred that the band gap mainly depends on the ionicity and size of the inorganic cage SnX3.

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  • Received 12 January 2007

DOI:https://doi.org/10.1103/PhysRevB.77.045129

©2008 American Physical Society

Authors & Affiliations

Fabio Chiarella, Andrea Zappettini, and Francesca Licci

  • IMEM-CNR, Area delle Scienze 37/A, I-43100 Parma, Italy

Ivo Borriello, Giovanni Cantele, Domenico Ninno, Antonio Cassinese, and Ruggero Vaglio

  • Coherentia CNR-INFM and Dipartimento di Scienze Fisiche, Università of Napoli “Federico II,” Via Cinthia, I-80126, Napoli, Italy

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Vol. 77, Iss. 4 — 15 January 2008

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