The effect of metal substitution in CsSnI₃ perovskites with enhanced optoelectronic and photovoltaic properties

Abstract

Non-toxic lead-free halide metal perovskites have gained significant interest in photovoltaic and optoelectronic device applications.

Semiconductor to metallic transition in double halide perovskites Cs2AgBiCl6 through induced pressure: A DFT simulation for optoelectronic and photovoltaic applications

“…Bulk modulus values of the Cs 2 AgBiCl 6 sample, indicating that the sample is flexible and soft. Pugh's ratio (Bulk to Shear modulus) and Poisson's ratio can identify the ductility or the brittle nature of a material [ 41 , 42 , 43 , 44 ]. The pressure dependent elastic constant C ij and elastic stiffness coefficient B ij in Cs 2 AgBiCl 6 is shown in Figure 9 .…”

All-inorganic perovskite solar cells featuring mixed group IVA cations

“…For example, the indirect bandgaps of CsSnI 3 can dramatically decrease when the replacement of partial Sn 2+ ions with small-sized Cu 2+ is over half. 46 The bandgaps of inorganic perovskites can also be effectively changed by the alloying strategy, which entails adjusting the mixing proportion of different ions at either B or X sites. For B-site alloying, benefited from the bowing effect, it is possible to form perovskite B-site alloys with even lower bandgaps than their pure-composition counterparts.…”

Pressure induced band gap shifting from ultra-violet to visible region of RbSrCl3 perovskite

“…The complex dielectric function, ε(ω) = ε 1 (ω) + iε 2 (ω), which is connected to the interaction of photons with electrons, is used to quantify the linear response to an external electromagnetic field with a tiny wave vector [38]. The complex dielectric function must be used to determine the quantity of electromagnetic radiation response in a sample [39].The momentum matrix components between the occupied and unoccupied wave functions might be used to generate the imaginary portion ε 2 (ω) of the dielectric function, which is given by [40] Using the Kramer−Kronig relations, the real portion ε 1 may be calculated from and is given by [41] ( ) ( ) In the above equation P represents the integral's principal value. All other optical characteristics may be computed simply from ε 1 and ε 2 , including the absorption coefficient α(ω), the refractive index n(ω), the extinction coefficient k(ω), and the energy-loss factor [38,41].…”

“…A increase in the peak height is also observed with the increase of pressure for both ε 1 and ε 2 . The material band structure is intimately related with the imaginary component of the dielectric function, which explains its absorption nature [39]. So maximum absorption occurs in ultraviolet region as seen from imaginary part of dielectric constant.…”