Abstract It has been previously reported in the literature that the vacancy concentration in a solid can be estimated using the linear term derived from low temperature heat capacity measurements. This paper investigates how such a model performs in both random and partially clustered vacancy systems. The heat capacity measurements were used to investigate the effect of singly (Nd or Sm) doped and co-doped (Nd and Sm) ceria, where simultaneous doping affects vacancy clustering and ionic conductivity. Comparison of calculated vacancy concentrations with sample stoichiometries showed that a vacancy concentration based on the linear term in the low temperature heat capacity is quantitative for near randomly distributed vacancies at low dopant concentration, but the prediction is low by approximately an order of magnitude when vacancies become clustered at higher dopant levels. This confirms that the linear term in the low-temperature heat capacity for non-metallic materials is a viable approach to estimate the vacancy concentration for randomly distributed vacancies which, in turn, can be used to distinguish between the random versus clustered vacancies.

中文翻译：

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通过热容量测量量化钕和钐掺杂的氧化铈中的氧空位

摘要 先前已有文献报道，固体中的空位浓度可以使用源自低温热容测量的线性项来估计。本文研究了这种模型在随机和部分聚类空缺系统中的表现。热容量测量用于研究单独（Nd 或 Sm）掺杂和共掺杂（Nd 和 Sm）氧化铈的影响，其中同时掺杂影响空位簇和离子电导率。计算的空位浓度与样品化学计量的比较表明，基于低温热容线性项的空位浓度对于低掺杂浓度下接近随机分布的空位是定量的，但是当空位聚集在更高的掺杂水平时，预测会低大约一个数量级。这证实了非金属材料的低温热容中的线性项是估计随机分布空位的空位浓度的可行方法，这反过来又可用于区分随机空位与集群空位。