Experimental and theoretical investigations of multifunctional (Li, Nd) co-doped ZnO ceramics for the application in microelectronics

Abstract

Multifunctional materials have become essential for the fabrication of miniaturized, light weight, low power consumption, cost-effective and high performance modern electronic devices. Pure and (Li, Nd) co-doped multifunctional (Nd0.5Li0.5)xZn1-xO ceramics have been prepared by using the conventional solid state reaction route for the first time. Phase identification and structural analysis of the investigated samples have been carried out by X-ray diffraction technique. The XRD patterns confirm the formation of wurtzite hexagonal type zinc oxide. Surface morphology and microstructure of all the samples have been investigated by using FESEM and EDS analysis. FESEM images confirm that all the compositions contain randomly aligned non-uniform grains in size and shape due to very high sintering temperature. A high precision impedance analyzer has been used to study the frequency dependent dielectric and magnetic properties. A room temperature colossal dielectric constant ≥103 with very low dielectric loss is obtained for (Nd0.5Li0.5)0.01Zn0.99O ceramics sintered at 1623 K. The origin of giant dielectric constant has been investigated by using the electric modulus spectroscopy and impedance analysis. For further justification and interpretation of the obtained results a DFT based first principles study have been carried out by using the plane wave pseudopotential approach. The present study provides a new route to design optimal multifunctional materials and related devices for further research and technological applications.