Correlation between ionic charge and the lattice constant of cubic perovskite solids

Abstract

In this paper we present lattice constant values for cubic perovskite solids with the product of ionic charges and average ionic radii rav (Å). The lattice constant of these compounds exhibit a linear relationship when plotted on a log–log scale against the average ionic radii rav (Å), but fall on different straight lines according to the ionic charge product of the compounds. We have applied the proposed relation to ABX3 (A: large cation with different valence, B: transition metal and X: oxides and halides) and found a better agreement with the experimental data as compared to the values evaluated by earlier researchers. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

Prediction of Formability in Perovskite-Type Oxides~!2008-08-05~!2008-10-08~!2008-12-05~!

“…New cubic perovskite structure compounds can be predicted by using this model, and their lattice constant can be predicted by a proposed relation of lattice constant in cubic perovskites, which was obtained in our previous study [21]. Using these models, we can seek for new cubic perovskites which lattice constant is close to compound semiconductor.…”

“…173 perovskite-type oxides systems with their formability, ionic radius of constituent ions A and B, tolerance factor and the octahedral factor (the ratio of radius of the small cation B over the radii of anion O) are listed in Table 1. The ionic radius of r A , r B and r X (X = O -2 is 1.35 Å) are taken from [5,8,21,33]. As shown in Figs.…”

“…Obviously, if new cubic perovskites compounds and their lattice constants can be predicted, it is helpful to design new substrate or buffer materials with cubic perovskite structure. Recently, the authors [21], a proposed model of lattice constant in cubic perovskites ABX 3 was obtained by using average ionic radii (r av ), of ABX 3 . So, it is of practical and emergent to find out regularities governing the formation of cubic perovskite-type oxides in order to seek for new buffer materials or substrates for compound semiconductor direct growth.…”

Optoelectronic, Elastic and Thermal Properties of Cubic Perovskite-Type SrThO3

“…where α = 0.06714, β = 0.4905, γ = 1.2991 [24], r Sr is the ionic radius of Sr (1.44 Å) and r Th is the ionic radius of Th (0.94 Å), while r O is the ionic radius of O (1.35 Å).…”

Correlation between ground state properties and plasmon energy of ternary chalcopyrite semiconductors.

“…These electrons reside in the outermost shell of the atom. Verma and Bhardwaj [7][8],Verma and Sharma [9][10][11] …”