Experimental realization of a semiconducting quasicrystalline approximant in Al-Si-Ru system by band engineering
Experimental realization of a semiconducting quasicrystalline approximant in Al-Si-Ru system by band engineering
复制标题
通过能带工程实验实现 Al-Si-Ru 体系中的半导体准晶近似体
DOI：
10.1103/physrevmaterials.3.061601
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发表时间：
2019
影响因子：
3.4
通讯作者：
and Kaoru Kimura
中科院分区：
文献类型：
--
作者：
Yutaka Iwasaki;Koichi Kitahara;and Kaoru Kimura
通过基于密度泛函理论的轨道分析，我们发现Al-Si-Ru立方准晶近似物具有半导体能带结构。这些半导体传输特性已在实验合成的样品中得到证实。电导率和Seebeck系数的温度依赖性与带隙大于的本征半导体的趋势一致。晶格热导率有一个较低的值，接近理论最小值。
We found that an Al-Si-Ru cubic quasicrystalline approximant has a semiconducting band structure by performing an orbital analysis based on density functional theory. These semiconducting transport properties have been confirmed in an experimentally synthesized sample. The temperature dependences of the electrical conductivity and the Seebeck coefficient were consistent with the trends of an intrinsic semiconductor with a band gap ofabove. The lattice thermal conductivity had a low value of approximatelyabove, which is close to the theoretical minimum.