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Antisite defects (ADs) in nonstoichiometric Lu3Al5O12:Ce (LuAG:Ce) were studied systematically by a combination of first‐principles calculation based on density functional theory (DFT), X‐ray diffraction (XRD), and electron spin resonance (ESR) experiments. Calculations illustrated that LuAl,16a AD is dominant in LuAG when an Lu2O3 excess exists. Nonstoichiometric LuAG:Ce ceramic with different Lu...
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