Static and dynamical properties of II–VI and III–V group binary solids

Abstract

In this paper, we extend to II–VI and III–V group binary solids of zinc blende (ZB) structure with conduction d-electrons the calculation of static and dynamical properties such as bulk modulus (B) and cohesive energy or total energy (Ecoh) using the plasma oscillation theory of solids formalism already employed for ternary chalcopyrite semiconductors. The present method is not limited to tetrahedrally coordinated semiconductors and ternary chalcopyrites, but can be used for all semiconducting compounds. We have applied an extended formula on ZB structured binary semiconductors and found better agreement with the experimental data as compared to the values evaluated by previous researchers. The bulk modulus and cohesive energy of ZB-type structure compounds exhibit a linear relationship when plotted on a log–log scale against the plasmon energy ℏωp (in eV), but fall on a straight line. The results for bulk modulus differ from experimental values by the following amounts: ZnS 0.36%, ZnSe 10%, ZnTe 0.62%, CdS 1.8%, CdSe 7.4% and CdTe 1.6%, AlP 2.6%, AlAs 5.3%, AlSb 4.0%, GaP 0%, AlAs 0%, AlS 4.4%, InP 0%, InAs 0% and InSb 2.1%; and the results for cohesive energy differ from experimental values by the following amounts: ZnS 0.16%, ZnSe 0.73%, ZnTe 0.6%, CdS 7.6%, CdSe 3.5%, CdTe 2.5%, AlP 2.0%, AlAs 3.0%, AlSb 11.1%, GaP 14.6%, AlAs 17.0%, AlSb 8.7%, InP 4.3%, InAs 5.5% and InSb 0.6%.

Electronic and mechanical properties of rare earth monochalcogenides

“…It is also note worthy that the proposed empirical relations are simpler and widely applicable and values are in better agreement with experimental data [33,34] as compared to the theoretical findings [5]. This work is in support of earlier research paper [28,29] in which we have already reported the optical, electronic, static and dynamical properties of zinc blende and wurtzite structured binary solids using the proposed approach. Simply, we are of Table 2 The present values of energy gaps, crystal ionicity, polarizability and bulk modulus of rare earth (R +2 X) monochalcogenides.…”

“…In the previous work [28,29], we proposed simple expressions for the optical, electronic, static and dynamical properties such as bulk modulus (B), cohesive energy (E coh ), refractive index (n), polarizability (a) and optical susceptibility (v) of zinc blende and wurtizite structured binary solids in term of plasmon energy (⁄x p, in eV) by the following expression as-…”

“…In these expressions the valence electron plasmon energy is to be determined using the relation (1) in our previous publication [28]. A detailed discussion of electronic and mechanical properties of these materials has been given elsewhere [5,18,23,27,[30][31][32] and will not be presented here.…”

“…Optical and electronic properties of many semiconducting materials have been studied by empirical calculations [3][4][5][6]. Recently, the author [28,29] has calculated the opto-electronic, static and dynamical properties of III-V and II-VI group binary solids with the help of plasma oscillations theory of solids. This is due to fact that the plasmon energy depend on the number of valence electrons, which changes when a metal forms a compound.…”

Electronic Properties of I-III-VI2 Ternary Chalcopyrites

“…Many researchers 1,[3][4][5] have developed various theories and calculated the bulk modulus, microhardness, bond stretching force constant, Debye temperature and melting points of I-III-VI2 and II-IV-V2 chalcopyrites. Yadav and co-authors [13][14][15][16][17][18][19] have recently calculated the electronic, optical and mechanical properties of binary and ternary semiconductors using various methods. In this paper, we have evaluated the electronic and mechanical properties of I-III-VI2 ternary chalcopyrites by using the modified dielectric theory of solids [20][21][22] .…”