Orientation-dependent transport properties of Cu3Sn
Orientation-dependent transport properties of Cu3Sn
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DOI：
10.1016/j.actamat.2022.117671
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发表时间：
2022-02-01
期刊：
影响因子：
9.4
通讯作者：
Schiffres, Scott N.
中科院分区：
文献类型：
--
作者：
Daeumer, Matthias;Sandoval, Ernesto D.;Schiffres, Scott N.
Cu 3Sn是一种众所周知的金属间化合物，具有高熔化温度和热稳定性，在微电子，3D打印和催化方面有许多应用。然而，材料的热导率各向异性和其复杂的反相边界超结构之间的关系还没有得到很好的理解。在这里，频域热反射率被用来映射整个表面的电弧熔化的多晶Cu 3Sn的热导率的变化。互补电子背散射衍射和透射电子显微镜显示的热导率在主要的a，B，和c方向分别为57.6，58.9，和67.2 W/m-K。几个Cu 3Sn超结构的密度泛函理论计算有助于研究热力学稳定性因素和评估的弛豫时间近似的方向分辨的电子输运性质。计算的温度和成分依赖的自由能的分析表明亚稳态的已知的长周期的Cu 3Sn超结构，而运输计算表明一个小的方向变化的热导率。类似于15%的各向异性测量和计算在这项研究中是远低于以前报道的实验值的样品生长的液相电外延。(c)2022 Acta Materialia Inc.由爱思唯尔有限公司出版。保留所有权利。
Cu3Sn, a well-known intermetallic compound with a high melting temperature and thermal stability, has found numerous applications in microelectronics, 3D printing, and catalysis. However, the relationship between the material's thermal conductivity anisotropy and its complex anti-phase boundary superstructure is not well understood. Here, frequency domain thermoreflectance was used to map the thermal conductivity variation across the surface of arc-melted polycrystalline Cu3Sn. Complementary electron backscatter diffraction and transmission electron microscopy revealed the thermal conductivity in the principal a, b , and c orientations to be 57.6, 58.9, and 67.2 W/m-K, respectively. Density functional theory calculations for several Cu3Sn superstructures helped examine thermodynamic stability factors and evaluate the direction-resolved electron transport properties in the relaxation time approximation. The analysis of computed temperature-and composition-dependent free energies suggests metastability of the known long-period Cu3Sn superstructures while the transport calculations indicate a small directional variation in the thermal conductivity. The similar to 15% anisotropy measured and computed in this study is well below previously reported experimental values for samples grown by liquid-phase electroepitaxy. (c) 2022 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.