Electronic structure and thermoelectric properties of narrow-band-gap intermetallic compound Al2Fe3Si3
Electronic structure and thermoelectric properties of narrow-band-gap intermetallic compound Al2Fe3Si3
复制标题
窄带隙金属间化合物Al2Fe3Si3的电子结构和热电性能
DOI：
10.1007/s10973-017-6621-9
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发表时间：
2017
影响因子：
4.4
通讯作者：
Y. Shinohara
中科院分区：
文献类型：
--
作者：
Y. Takagiwa;Y. Isoda;M. Goto;Y. Shinohara
研究了一种由丰富元素组成的三元金属间化合物Al_2Fe_3Si_3的电子结构和热电性能。第一性原理能带结构计算表明，目标化合物Al 2Fe 3Si 3在费米能级附近形成了几百meV的窄带隙，这表明通过改变化学势可以获得p型和n型热电性能。采用电弧熔炼法和放电等离子烧结法合成了窄带隙金属间化合物Al 2Fe 3Si 3，并对其热电性能进行了研究。导电类型可以通过改变Al/Si比来控制。测得的p型和n型材料的塞贝克系数分别为+55和−90 μV K−1。对于p型和n型材料，在中温区获得的功率因数为370-400 μW m−1 K−2。由于Al 2Fe 3Si 3的低晶体对称性，尽管由相对轻的元素组成，但在300 K下的声子热导率表现出4.5-5.5 W m-1 K-1的相对低值。估计的无量纲优值被发现是小于0.04，这应该大大提高了实际应用。
We investigated the electronic structure and thermoelectric properties of a ternary intermetallic compound Al2Fe3Si3 composed only of abundant elements. First-principles band structure calculations implied that the target compound Al2Fe3Si3 forms a narrow band gap of a few hundred meV near the Fermi level, indicating that both p- and n-type thermoelectric properties can be obtained by shifting the chemical potential. We present the thermoelectric properties of the narrow-band-gap intermetallic compound Al2Fe3Si3, which was synthesized by arc melting and spark plasma sintering. The conduction type could be controlled through changing the Al/Si ratio. The measured Seebeck coefficients were +55 and −90 μV K−1 for p- and n-type materials, respectively. The obtained power factor was 370–400 μW m−1 K−2 in a mid-temperature region for both p- and n-type materials. Because of the low crystal symmetry of Al2Fe3Si3, the phonon thermal conductivity at 300 K exhibited a relatively low value of 4.5–5.5 W m−1 K−1, despite being composed of relatively light elements. The estimated dimensionless figure of merit was found to be less than 0.04, which should be largely enhanced for practical applications.
影响因子：
41.2
作者：
Liu, Huili;Shi, Xun;Snyder, G. Jeffrey
通讯作者：
Snyder, G. Jeffrey
影响因子：
64.8
作者：
Biswas, Kanishka;He, Jiaqing;Kanatzidis, Mercouri G.
通讯作者：
Kanatzidis, Mercouri G.
烟囱梯型高锰硅化物MnSi_γ(γ〓1.74)的晶体结构调制
DOI：
--
发表时间：
2008
期刊：
Phys. Rev. B 78
影响因子：
--
作者：
関戸義仁;三浦誠司;大久保賢二;毛利哲夫;Y. Miyazaki
通讯作者：
Y. Miyazaki