Optical Properties of Lead-Free Double Perovskites by Ab Initio Excited-State Methods

Volume: 5, Issue: 2, Pages: 457 - 463
Published: Jan 2, 2020
Abstract
We discuss the nature of the optical excitations of Cs2AgBiBr6, the archetypal compound of lead-free double perovskites. Such quaternary material shows an indirect electronic band gap with a broad optical absorption spectrum above 2 eV. By means of ab initio excited-state methods we show that the first absorption peak is due to a bound direct exciton (near the X point of the Brillouin zone), while the photoluminescence spectrum is explained in...
Paper Details
Title
Optical Properties of Lead-Free Double Perovskites by Ab Initio Excited-State Methods
Published Date
Jan 2, 2020
Volume
5
Issue
2
Pages
457 - 463
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