Lattice energy of zinc blende (A^IIIB^V and A^IIB^VI) solids

Abstract

In this paper we present an expression relating the lattice energy (U in kcal/mol) for the AIIIBV and AIIBVI semiconductors with the product of ionic charges (Z1Z2) and nearest‐neighbor distance d (Å). The lattice energy of these compounds exhibit a linear relationship when plotted on a log–log scale against the nearest‐neighbor distance d (Å), but fall on different straight lines according to the ionic charge product of the compounds. A fairly good agreement has been found between the observed and calculated values of the lattice energy for AIIIBV and AIIBVI semiconductors. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

Lattice constant of orthorhomic perovskite solids

“…Because, Eq. (2) In the previous work, [15][16][17][18][19], we proposed simple expressions for the electronic, optical and mechanical properties such as heteropolar energy gaps (E c ), average energy gaps (E g ), crystal ionicity (f i ), dielectric constant (ε ∞ ), electronic susceptibility ( ), cohesive energy (E coh ), bulk modulus (B) and microhardness (H) of rocksalt, zinc blende and chalcopyrite structured solids in terms of the product of ionic charges of cation and anion by the following relations,…”

“…Recently, the authors [15][16][17][18][19] have been evaluated the electronic, mechanical and optical properties of binary and complex crystals with the help of ionic charge theory of solids. This is due to the fact that the ionic charge depends on the number of …”

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

“…In previous studies, [15][16][17][18][19], we proposed simple expressions for the electronic, optical and mechanical properties such as heteropolar energy gaps (E c ), average energy gaps (E g ), crystal ionicity (f i ), dielectric constant (ε ∞ ), electronic susceptibility (χ), cohesive energy (E coh ), bulk modulus (B) and microhardness (H) of rocksalt, zinc blende and chalcopyrite structured solids in terms of the product of ionic charges of cation and anion by the following relations: Plot of log a (lattice constant in Å) against log r av (average ionic radii in Å) for perovskite oxides and halides. In the plots of log a and log r av , perovskite oxides lie on lines nearly parallel to the line for perovskite halides.…”

“…Recently, the present authors [15][16][17][18][19] have been evaluated the electronic, mechanical and optical properties of binary and complex crystals with the help of ionic charge theory of solids. This is due to the fact that the ionic charge depends on the number of valence electrons, which changes when a metal forms a compound.…”

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

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