Empirical Relation for Electronic and Optical Properties of Binary Tetrahedral Semiconductors

Abstract

The concept of ionicity has been developed by Phillips and Van Vechten from the dielectric analysis of the semiconductors and insulators to evaluate various bond parameters of binary tetrahedral (AIIBVI and AIIIBV) semiconductors. In this paper, an advance hypothesis of average atomic number of the elements in a compound has been used to evaluate intrinsic electronic and optical parameters such as ionic gap (Ec), average energy gap (Eg), crystal ionicity (fi) and dielectric constant (ϵ) of binary tetrahedral semiconductors.

Semi-Empirical Predictions for Hardness of Rare Earth Pyrochlores; High-Permittivity Dielectrics and Thermal Barrier Coating Materials

“…where K is crystal structure dependent constant with values of 0.50 and 0.59 for I − III− VI and II − IV− V chalcopyrites, respectively. Previously, many researchers have studied the static, dynamical, optical, mechanical and electronic properties of binary and ternary chalcopyrites semiconductors, and rare earth chalcogenides using empirical models based on plasmon oscillation theory of solids [28][29][30][31][32][33][34]. As per above study, the mechanical properties of pyrochlores have a fundamental relationship between hardness H and plasmon energy ℏ𝜔 .…”

“…Empirical relationships are most often accepted as the preferred technique for computational solid-state investigations. In earlier researches, author and co-workers have been reported the structural, mechanical and electronic properties of zinc-blende and rock-salt structured binary and ternary tetrahedral chalcopyrite semiconductors using various methods successfully [26][27][28][29][30][31][32][33][34]. Even though empirical relations frequently don't produce incredibly accurate answers for each unique substance, they can nevertheless be extremely helpful.…”

“…Herein, a model obtained from POT of solids is being put forward to investigate the mechanical properties of rare earth pyrochlore oxides. It is now widely accepted that a metal's plasmon energy changes [28][29][30][31][32][33][34][35], when it combines chemically to create a compound, conduction electrons in a metal are collectively excited to form plasma of energy ℏω .This energy depends upon the density of conduction band. Hence the plasmon energy is affected by the density of conduction electrons as well as effective number of valence electrons, both of which change in the formation of compound.…”