On the solubility of yttrium in RuO2
On the solubility of yttrium in RuO2
复制标题
钇在RuO2中的溶解度
DOI：
10.1063/1.3633234
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发表时间：
2011
影响因子：
3.2
通讯作者：
J. Schneider
中科院分区：
文献类型：
--
作者：
D. Music;N. Zumdick;B. Hallstedt;J. Schneider
用实验和理论方法研究了Y在金红石RuO2中的溶解度。采用组合反应溅射法制备了O/金属比为2.6、Y含量为0.3 ~ 12.6 at的Ru-Y-O纳米薄膜。%。溶解度极限为1.7 at。用x射线光电子能谱和x射线衍射鉴定。基于从头算和热力学模型，可以理解Y的溶解度。较小的Y量被纳入晶格中，形成亚稳膜，由于尺寸效应而产生局部结构变形。随着Y含量的增加，观察到广泛的局部结构变形，但由于动力学限制，不会发生相分离。Y合金的纳米结构RuO2可能会增强声子散射和量子约束效应，从而提高热电效率。
We have investigated the solubility of Y in rutile RuO2 using experimental and theoretical methods. Nanostructured Ru–Y–O thin films were synthesized via combinatorial reactive sputtering with an O/metal ratio of 2.6 and a Y content of 0.3 to 12.6 at. %. A solubility limit of 1.7 at. % was identified using x-ray photoelectron spectroscopy and x-ray diffraction. Based on ab initio and thermodynamic modeling, the solubility of Y can be understood. Smaller Y amounts are incorporated into the lattice, forming a metastable film, with local structural deformations due to size effects. As the Y content is increased, extensive local structural deformations are observed, but phase separation does not occur due to kinetic limitations. Nanostructured RuO2 alloyed with Y might lead to enhanced phonon scattering and quantum confinement effects, which in turn improve the thermoelectric efficiency.