Ionicity inAIIBIVC2V

Abstract

The dielectric theory of ionicity has been used to calculate the bond ionicity in the 3 "B' C& semiconductors. Our calculated values of bond ionicities, dielectric constants, and homopolar and heteropolar energy gaps are in excellent agreement with the values reported by several workers.fi, x&' --Cxr /Es xy . 2 2

Linear properties of ternary chalcopyrite semiconductors

“…Only a small part the electrons are in the bond, the rest screen the ion cores, reducing their charges by Thomas-Fermi screening factor, which affects the chemical trends in a compound. Both the screening factor and the bond length d l are related to the effective number of valence electrons in a compound [41,42]. The plasmon energy also depends on the effective number of free electrons in the valence bond.…”

“…The numerical values of these constants are listed in Table 1, which are obtained by simulating the data of known values of E l h , E l c , E l g , f l i and e l and plasmon energy using regression software. The calculated values of these parameters for the A-C and B-C bonds in A I B III C 2 VI and A II B IV C 2 V compounds are listed in Tables 2 and 3, respectively and their total contributions to both families of ABC 2 compounds can be calculated by [30] b [42] taking the geometrical sum of the A-C and B-C bonds. As an example, the average energy gap of ABC 2 compounds, E g,ABC2 = (E g,AC ?…”

“…This shows that there must be some correlations between the physical processes, which involve the ionic and covalent contributions to the average energy gap E l g and the plasmon energy " hx l p . Based on this, different models for the calculation of various linear [41,42] and nonlinear [43] properties of ternary chalcopyrites have been developed. In this paper, we extend our earlier models [44] of binary semiconductors and propose the following new relations for the calculation of average energy gaps, ionicity and dielectric constant of A-C and B-C bonds in A I B III C 2 VI and A II B IV C 2 V groups of ternary semiconductors:…”

“…Bernard [34], Chemla [35] and others [30][31][32] have explained these parameters considering the effect of d-electrons. Various electronic, elastic, thermal and nonlinear properties of ternary chalcopyrites have been studied using plasma oscillations theory of solids [41][42][43]. This theory has also been used to explain the other properties of some binary semiconductors.…”

Plasmon energy, bulk modulus, electronic polarisability of AIBIIIC2 VI and AIIBIVC2 V ternary chalcopyrite semiconductors

“…The main problem is that the values microhardness (H) and ionicity (f i ) estimated by earlier researchers [34][35][36] differ widely and agreements are not close with experimental values. Moreover, the ionicity has not been uniquely defined [37][38]. These values also differ widely.…”