SEMI-EMPIRICAL PREDICTIONS FOR HARDNESS OF RARE EARTH PYROCHLORES; HIGH-PERMITTIVITY DIELECTRICS AND THERMAL BARRIER COATING MATERIALS

Herein, we have formulated a simplistic semi-empirical model for Vicker's hardness of rare earth based pyrochlore compounds. We have considered the A ff6ff>ff7 B ff6ff>ff8O ff; structured 97 pyrochlore compounds for Vicker's hardness calculations. The plasmon energy (h.p) 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.

Automated summary

In this study, a simplistic semi-empirical model for Vicker's hardness of rare earth based pyrochlore compounds was formulated. A total of 97 pyrochlore compounds with A ff6ff>ff7 B ff6ff>ff8O ff structure were considered for Vicker's hardness calculations. The proposed model predicts that the hardness of pyrochlore increases as plasmon energy increases. The calculated values are in good agreement with experimental and theoretical data, supporting the validity of the model. This model supports the modeling of functional pyrochlore compounds and helps understand their mechanical properties for various applications.