高熵稀土单硅酸盐环境障涂层局域结构的原子对分布函数解析
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Neutron Pair Distribution Function Analysis to the Local Structure of High-Entropy RE2SiO5 Environmental Barrier Coating
WANG Haoyu, LÜ Xirui, CHEN Qi, XIONG Ying, LUO Zhixin, ZHANG Jie, WANG Jingyang
表4 Yb2SiO5与(Y1/4Ho1/4Er1/4Yb1/4)2SiO5的键长畸变度(λ)和键角畸变度(σ2)
Table 4 Bond length distortion (λ) and bond angle variance (σ2) of Yb2SiO5 and (Y1/4Ho1/4Er1/4Yb1/4)2SiO5
Data sourceMaterialλσ2
[SiO4][ORE4][SiO4][ORE4]
TheoreticalYb2SiO51.000081.0014314.8653249.768
Average structure from TOFYb2SiO51.001341.0015614.21285.91
(Y1/4Ho1/4Er1/4Yb1/4)2SiO51.000061.0026022.99263.72
Local structure from PDFYb2SiO51.002741.0039158.25250.10
(Y1/4Ho1/4Er1/4Yb1/4)2SiO51.002131.0009975.00204.32