An emerging sub-class of 2D lead based- hybrid perovskites are known to be broadband emitters upon UV excitation. The cause of this broadband emission is observed due to the formation of self-trapped excitons aided by the lattice deformations (Pb-X). The lattice distortions of the Pb-X octahedrals caused by the dielectric mismatch between the organic and inorganic components is the driving force for achieving white light emitters.The extent of lattice distortion is experimentally calculated using the lattice parameters of the system under study and applying the formula for octahedral elongation and octahedral angle variance. I am unable to calculate the octahedral elongation. How to define d0 which denotes the center-to-vertex distance of a regular polyhedron of the same volume ?
For reference please check SI of report : 10.1021/jacs.6b10390
Chitaranjan Pany
, thanks ! I have been through the literature on this and have managed to compute some of the parameters. The specific value of octahedral elongation has a variable d0 which is defined as the center-to-vertex distance of a regular polyhedron of the same volume. I am unable to define this variable. The reference given are also not providing a clear picture to me.@Bojidarka B. Ivanova , yes by single crystal XRD I have the cif file for the material. This cif file contains the lattice parameters such as the bond length and bond angle. These values are then substituted into the equations governing lattice distortions. One such parameter, is the octahedral elongation which is given in terms of the average bond length (dm) and d0 which is the center to vertex distance of a regular polyhedron of the same volume. I am unable to define the value of d0 correctly and am seeking help for it.
- Badges
- Science topic
- Similar topics
- Philosophy
- Philosophy Of Science
- Reasoning