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. (C) 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Copyright:Copyright [2017]. All efforts have been made to respect the copyright to the best of our knowledge. Inadvertent omissions, if brought to our notice, stand for correction and withdrawal of document from this repository.