Phys. Rev. B 70, 134112 (2004) [6 pages]Radiation damage effects in the perovskite CaTiO3 and resistance of materials to amorphizationReceived 15 January 2004; revised 26 May 2004; published 29 October 2004 We combine classical and quantum-mechanical simulations to study the structural changes in CaTiO3 under irradiation. We identify common defects, and suggest that their stability is related to the covalent character of Ti-O bonding. We address the issue of resistance to amorphization by radiation damage, and propose that a complex material is amorphizable by radiation damage if it is able to form a covalent network. On a more detailed level, we suggest that resistance to amorphization is defined by the competition between the short-range covalent and long-range ionic forces. © 2004 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.70.134112
DOI:
10.1103/PhysRevB.70.134112
PACS:
61.80.−x, 61.82.−d, 62.20.−x
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