Journal
PHYSICAL REVIEW LETTERS
Volume 108, Issue 19, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.108.195504
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Funding
- DOE Office of Basic Energy Sciences (OBES), Division of Materials Sciences
- National Natural Science Foundation of China [11175076, 10975065]
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Ion irradiation experiments and atomistic simulations were used to demonstrate that irradiation-induced lattice swelling in a complex oxide, Lu2Ti2O7, is due initially to the formation of cation antisite defects. X-ray diffraction revealed that cation antisite formation correlates directly with lattice swelling and indicates that the volume per antisite pair is approximately 12 angstrom(3). First principles calculations revealed that lattice swelling is best explained by cation antisite defects. Temperature accelerated dynamics simulations indicate that cation Frenkel defects are metastable and decay to form antisite defects.
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