Antisite defects in nonstoichiometric Lu3Al5O12:Ce ceramic scintillators. Issue 9 (4th May 2015)

• Record Type: Journal Article
• Authors: Hu, Chen; Liu, Shuping; Shi, Yun; Kou, Huamin; Li, Jiang; Pan, Yubai; Feng, Xiqi; Liu, Qian
• Is Part Of: Physica status solidi. Volume 252:Issue 9(2015:Sep.)
• Page Start: 1993
• Page End: 1999
• Publication Date: 2015-05-04
• Subjects: Solid state physics -- Periodicals; Solids -- Periodicals; Atomic structure -- Periodicals; 530.41
• DOI: 10.1002/pssb.201451762
• Languages: English
• ISSNs: 0370-1972

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <sec id="pssb201451762-sec-0001" sec-type="section"> <p>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 Lu_{Al, 16a} AD is dominant in LuAG when an Lu₂O₃ excess exists. Nonstoichiometric LuAG:Ce ceramic with different Lu₂O₃ excess were prepared to verify the calculation results. The retrieved XRD lattice constants of Lu₂O₃ excess LuAG:Ce ceramics fit well with DFT calculation results on Lu_{Al, 16a} AD model, and the same distorted Ce sites in single crystals were also found in LuAG:Ce ceramics by ESR, which suggests the existence of Lu_{Al, 16a} ADs and they are dominant in nonstoichiometric LuAG:Ce ceramics, and thus measurable concentrations of ADs were detected in ceramics. This revealed that the formation of ADs is related to both temperature and chemical stoichiometry.</p> <p>Lu_{Al, 16a} antisite defects and nearest normal Lu sites.<inline-graphic xlink:href="ark:/27927/pgj2h39qtf0" content-type="pssb201451762-gra-0001" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" /></p> </sec> </abstract>