自然键轨道
单晶
空位缺陷
结晶学
Crystal(编程语言)
材料科学
电子顺磁共振
分析化学(期刊)
晶体生长
固态
化学
物理化学
核磁共振
计算化学
物理
密度泛函理论
有机化学
计算机科学
程序设计语言
作者
Takaaki Morimoto,Seiya Shimono,Yuto Yoshiichi,Hiroaki Kishimura,Keisuke Ishii
标识
DOI:10.35848/1347-4065/acbd7b
摘要
Abstract To expand the process window for the rapid solid-state crystal growth (RSSCG) method, through which large unitary single crystals of a (K 0.5 Na 0.5 )NbO 3 (KNN) system can be synthesized in a short time, we varied the dominant fabrication parameters, the B-site excess ratio and the Bi 2 O 3 content, over a range wider than that utilized in previous studies. Unitary single crystals were obtained at the B-site excess ratios of 0.75%–1.75%; particularly, 1.00% and 1.25% were found to be suitable for the synthesis. Electron spin resonance analysis showed that the concentration of oxygen vacancies increased with increasing B-site excess ratios and decreased with increasing amount of added Bi 2 O 3 in the calcined powder. The optimization of the critical driving force for crystal growth by controlling oxygen vacancy concentration was found to be key to growing the large unitary single crystals appropriately by the RSSCG method.
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