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| 原子无序对half-Heusler合金CoCrAl电子结构及Seebeck系数的影响 |
| Effect of atomic disorder on the electronic structure and Seebeck coefficient of half-Heusler alloy CoCrAl |
| 投稿时间：2019-01-02 |
| DOI： |
| 中文关键词: 原子无序 half-Heusler 合金 CoCrAl 热电性能 电子结构 Seebeck系数 |
| 英文关键词: atomic disorder half-Heusler alloy CoCrAl thermoelectric performance electronic structure Seebeck coefficient |
| 基金项目:国家自然科学基金资助项目(11574242). |
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| 中文摘要: |
| 采用真空电弧熔炼和放电等离子烧结技术制备了half-Heusler合金CoCrAl,利用XRD对合金的物相结构进行表征,借助相关设备测试了合金的饱和磁矩及Seebeck系数,并将实验结果与分别基于C1b有序、XY及YZ无序结构的CoCrAl合金的模拟计算值进行比较。结果表明,所制CoCrAl合金样品中除了完全有序的C1b结构相外还存在XY及YZ无序相。合金样品表现出典型的磁性金属特性且其Seebeck系数(绝对值)随着温度的升高呈先增加后降低的趋势,这与利用VASP和BoltzTraP软件包结合计算得到的CoCrAl合金的Seebeck系数随温度(300~800 K)的变化趋势相符合。 |
| 英文摘要: |
| The half-Heusler alloy CoCrAl was prepared by vacuum arc melting and spark plasma sintering approaches. By means of XRD, the phase structure of the as-prepared alloy was characterized. The saturation magnetic moment and Seebeck coefficient were measured, which were compared with those calculated based on the CoCrAl alloy in C1b ordered and XY,YZ disordered structures, respectively. The results show that in addition to the fully ordered C1b structure, the disordered XY and YZ structures exist in the as-prepared CoCrAl alloy sample. The alloy sample exhibits the typical characteristics of magnetic metal,and its Seebeck coefficient(absolute value) first increases and then decreases with the increase of temperature(300~800 K),which is in a good coincidence with the changing trend calculated by VASP and BoltzTraP software package. |
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