Publication Date:
2016-08-13
Description:
Author(s): Min-Hua Chen, John C. Thomas, Anirudh Raju Natarajan, and Anton Van der Ven The tetragonal form of ZrO 2 is used in a wide range of technologies. In this study, we systematically explore the effect of strain on the relative stability of symmetrically equivalent tetragonal variants of ZrO 2 using first-principles density functional theory. We focus, in particular, on the role … [Phys. Rev. B 94, 054108] Published Fri Aug 12, 2016
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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