A comprehensive theoretical and experimental study on structural and mechanical properties of Si doped ZnO

Publication date: 1 July 2017
Source:Scripta Materialia, Volume 135
Author(s): Gaurav Bajpai, Tulika Srivastava, Mohd Nasir, Saurabh Tiwari, Shubhra Bajpai, E.G. Rini, Sajal Biring, Somaditya Sen
Si⁴⁺ is a smaller ion with higher charge compared to Zn²⁺. When incorporated in ZnO lattice, above a certain amount, the Si⁴⁺ ions create defects at the substituted sites. The Zn and O planes are dragged closer to each other by Si substitution while the lattice expansion along c-axis is more than that along a or b axes. However, the c/a ratio decreases continuously. The mechanical property deteriorates with substitution as well at par with the structural changes. Experimentally observed mechanical hardness of Si⁴⁺substituted ZnO pellets decrease with incorporation of Si following the theoretical trend.

Graphical abstract

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