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The dielectric interpretation of crystal ionicity evolved by Phillips and Van Vechten (P.V.V) has been utilized to evaluate various ground state properties for broad range of semiconductors and insulators. Although, the relevance of P.V.V dielectric theory has been restricted to only simple ANB8-N structured compounds, which have a particular bond. Levine has broadened P.V.V. theory of ionicity to multiple bond and complex crystals and evaluated many bond parameters for ternary tetrahedral semiconductors. Some other researchers have extended Levine’s work with a concept of ionic charge product and nearest neighbour distance to binary and ternary tetrahedral crystals to evaluate the ground state properties. In this paper, a new hypothesis of average atomic number of the elements in a compound has been used to understand the some electronic and optical properties such as ionic gap (Ec), average energy gap (Eg), crystal ionicity (fi), electronic susceptibility (χ), and dielectric constant (ϵ) of ternary tetrahedral (AIIBIV and AIBIII) semiconductors. A reasonably acceptable agreement has been noticed between our evaluated values and other researchers reported values.

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.

Liquid K_(1-x) Rb_x binary alloys with various thermodynamical proportions of participating elements are investigated. The properties of thermodynamic interest are included in the study. The internal energy (Fint), Helmholtz free enrgy (FH) and the entropy (S) have been calculated in a concentration range from X=0.0 to X=1.0 increasing in a step of 0.1 in the present work. Apart from the internal energy (Fint), various contributions to this energy are also calculated and separately depicted in the present article. A variational approach has been adopted for the present calculation. A single potential with a set of two parameters is used for the calculation of all properties of the alloys. Static Hartree local field function (H) is used to consider screening effect. Various local field correction functions are used to take into account the exchange and correlation effect. Comparison with experimental data at some concentration shows the good agreement with the presently obtained data. With the help of current results, the applied model potential found very suitable with individual parameters for thermodynamical study. As the present results provide the data even where minimum availability of the experimental findings, it can serve as a data base for the future calculation which deals with thermodynamics of the liquid alloys. Present results allow one to get proportion based tuned properties of the K_(1-x) Rb_x for different requirements.

Herein, we have formulated a simplistic semi-empirical model for Vicker’s hardness of rare earth based pyrochlore compounds. We have considered the structured 97 pyrochlore compounds for Vicker’s hardness calculations. The plasmon energy (ħωp) depends on basic parameters of the material such as Ne-effective number of free electrons per unit volume participating in plasma oscillations, e-electronic charge and m-mass of an electron. The proposed model predicts that the experimental and theoretical values of Vicker’s hardness increases as plasmon energy of pyrochlore increases. We have found that the calculated values are in better agreement with available experimental and theoretical data, which supports the validity of the model. This model supports the modeling of emerging functional pyrochlore compounds and helps to understand their mechanical properties for excellent thermal stability, superconductivities, batteries, ferroelectricity, water spitting, high ionic conductivity, good photoluminescence, inherent oxygen vacancies, exotic magnetism, and now-a-days most importantly in nuclear waste encapsulation and aerospace industry