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Vibronic Structure in Room Temperature Photoluminescence of the Halide Perovskite Cs 3 Bi 2 Br 9

DOI: 10.1021/acs.inorgchem.6b01571 DOI Help

Authors: Kelsey K. Bass (University of Southern California) , Laura Estergreen (University of Southern California) , Christopher N. Savory (University College London) , John Buckeridge (University College London) , David O. Scanlon (University College London; Diamond Light Source) , Peter I. Djurovich (University of Southern California) , Stephen E. Bradforth (University of Southern California) , Mark E. Thompson (University of Southern California) , Brent Melot (University of Southern California)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Inorganic Chemistry

State: Published (Approved)
Published: September 2016

Abstract: We report a study on the optical properties of the layered polymorph of vacancy-ordered triple perovskite Cs3Bi2Br9. The electronic structure, determined from density functional theory calculations, shows the top of the valence band and bottom of the conduction band minima are, unusually, dominated by Bi s and p states, respectively. This produces a sharp exciton peak in the absorption spectra with a binding energy that was approximated to be 940 meV, which is substantially stronger than values found in other halide perovskites and, instead, more closely reflects values seen in alkali halide crystals. This large binding energy is indicative of a strongly localized character and results in a highly structured emission at room temperature as the exciton couples to vibrations in the lattice.

Subject Areas: Chemistry

Technical Areas: