Wencka Magdalena, Krnel Mitja, Jelen Andreja, Vrtnik Stanislav, Luzar Jože, Koželj Primož, Gačnik Darja, Meden Anton, Hu Qiang, Wang Chaomin, Guo Sheng, Dolinšek Janez
Jožef Stefan Institute, Jamova 39, 1000, Ljubljana, Slovenia.
Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60179, Poznan, Poland.
Sci Rep. 2022 Feb 10;12(1):2271. doi: 10.1038/s41598-022-06133-7.
High-entropy alloys (HEAs) are characterized by a simultaneous presence of a crystal lattice and an amorphous-type chemical (substitutional) disorder. In order to unravel the effect of crystal-glass duality on the electronic transport properties of HEAs, we performed a comparative study of the electronic transport coefficients of a 6-component alloy AlTiZrPdCuNi that can be prepared either as a HEA or as a metallic glass (MG) at the same chemical composition. The HEA and the MG states of the AlTiZrPdCuNi alloy both show large, negative-temperature-coefficient resistivity, positive thermopower, positive Hall coefficient and small thermal conductivity. The transport coefficients were reproduced analytically by the spectral conductivity model, using the Kubo-Greenwood formalism. For both modifications of the material (HEA and MG), contribution of phonons to the transport coefficients was found small, so that their temperature dependence originates predominantly from the temperature dependence of the Fermi-Dirac function and the variation of the spectral conductivity and the related electronic density of states with energy within the Fermi-level region. The very similar electronic transport coefficients of the HEA and the MG states point towards essential role of the immense chemical disorder.
高熵合金(HEAs)的特点是同时存在晶格和非晶型化学(替代)无序。为了揭示晶体 - 玻璃二元性对高熵合金电子输运性质的影响,我们对一种6组分合金AlTiZrPdCuNi的电子输运系数进行了比较研究,该合金在相同化学成分下既可以制备成高熵合金,也可以制备成金属玻璃(MG)。AlTiZrPdCuNi合金的高熵合金态和金属玻璃态均表现出大的负温度系数电阻率、正热电势、正霍尔系数和小的热导率。利用久保 - 格林伍德形式,通过光谱电导率模型对输运系数进行了解析再现。对于该材料的两种变体(高熵合金和金属玻璃),发现声子对输运系数的贡献很小,因此它们的温度依赖性主要源于费米 - 狄拉克函数的温度依赖性以及光谱电导率和费米能级区域内相关电子态密度随能量的变化。高熵合金态和金属玻璃态非常相似的电子输运系数表明巨大化学无序起着至关重要的作用。