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Growth and Temperature-Dependent Mechanical and Thermal Properties of One-Dimensional Chain Structure Hg2Br2 Crystals for Infrared Acousto-Optic Device Application
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2021-11-16 , DOI: 10.1021/acs.cgd.1c00957 Lin Liu 1 , Rongzhen Li 1 , Yanxiao Bi 1 , Sheng-Qing Xia 1 , Guodong Zhang 1 , Xutang Tao 1
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2021-11-16 , DOI: 10.1021/acs.cgd.1c00957 Lin Liu 1 , Rongzhen Li 1 , Yanxiao Bi 1 , Sheng-Qing Xia 1 , Guodong Zhang 1 , Xutang Tao 1
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The long-wave infrared acousto-optic tunable filters (AOTFs) based on Hg2Br2 crystals have attracted much interest in space exploration and harmful chemical agent detection. However, the growth of large Hg2Br2 single crystals with high quality and optical homogeneity still remains a challenge, and the lack of temperature-dependent mechanical and thermal properties of this crystal hinders the further enhancement of acousto-optic performance in practical applications. In this context, Hg2Br2 crystals (Φ 35 × 40 mm3) were successfully grown by the physical vapor transport (PVT) method. The optical homogeneity of the as-grown crystal is increased to 7.15 × 10–5 by restraining the impurities, striations, and cracks. In addition, the anisotropic mechanical and thermal properties varying with the temperature of Hg2Br2 crystals were systematically investigated. The compression modulus along the ⟨110⟩ orientation decreases from 17 to 7 GPa in the temperature range of −100 to 150 °C, while it ranges from 5.5 to 1.5 GPa along the ⟨001⟩ orientation. The thermal conductivities along ⟨110⟩ and ⟨001⟩ orientations vary in the range of 1.32–0.52 and 2.06–1.05 W/(m·K) with the increase in temperature from −140 to 100 °C, respectively, and then remain stable in the range of 100–150 °C. Using the first-principles calculation on the electron transfer characteristic between atoms and the bonding property within molecules of Hg2Br2 crystals, the large anisotropic mechanical and thermal properties could be explained, which are mainly attributed to the one-dimensional chain structure of the compound. Notably, the mechanical and thermal properties of Hg2Br2 crystals at low temperature are better than those at high temperature, which guarantees the practical application of AOTFs in a space extreme environment.
中文翻译：
用于红外声光器件应用的一维链状结构 Hg2Br2 晶体的生长和温度相关机械和热性能
基于 Hg 2 Br 2晶体的长波红外声光可调谐滤波器 (AOTF)在太空探索和有害化学试剂检测方面引起了极大的兴趣。然而，高质量和光学均匀性的大Hg 2 Br 2单晶的生长仍然是一个挑战，并且该晶体缺乏与温度相关的机械和热性能，阻碍了实际应用中声光性能的进一步提高。在这种情况下，Hg 2 Br 2晶体（Φ 35 × 40 mm 3）通过物理蒸汽传输（PVT） 方法。通过抑制杂质、条纹和裂纹，生长晶体的光学均匀度增加到 7.15 × 10 –5。此外，各向异性的机械和热性能随 Hg 2 Br 2的温度变化晶体进行了系统研究。沿⟨110⟩方向的压缩模量在-100至150°C的温度范围内从17 GPa降低到7 GPa，而沿⟨001⟩方向的压缩模量从5.5 GPa降低到1.5 GPa。沿⟨110⟩和⟨001⟩方向的热导率随着温度从-140°C升高到100°C分别在1.32-0.52和2.06-1.05 W/(m·K)的范围内变化，然后保持稳定在 100–150 °C 的范围内。Hg 2 Br 2原子间电子转移特性和分子内键合性质的第一性原理计算晶体，大的各向异性机械和热性能可以解释，这主要归因于化合物的一维链结构。值得注意的是，Hg 2 Br 2晶体在低温下的机械和热性能优于高温下的机械和热性能，这保证了AOTFs在空间极端环境中的实际应用。
更新日期：2021-12-01
中文翻译：
用于红外声光器件应用的一维链状结构 Hg2Br2 晶体的生长和温度相关机械和热性能
基于 Hg 2 Br 2晶体的长波红外声光可调谐滤波器 (AOTF)在太空探索和有害化学试剂检测方面引起了极大的兴趣。然而，高质量和光学均匀性的大Hg 2 Br 2单晶的生长仍然是一个挑战，并且该晶体缺乏与温度相关的机械和热性能，阻碍了实际应用中声光性能的进一步提高。在这种情况下，Hg 2 Br 2晶体（Φ 35 × 40 mm 3）通过物理蒸汽传输（PVT） 方法。通过抑制杂质、条纹和裂纹，生长晶体的光学均匀度增加到 7.15 × 10 –5。此外，各向异性的机械和热性能随 Hg 2 Br 2的温度变化晶体进行了系统研究。沿⟨110⟩方向的压缩模量在-100至150°C的温度范围内从17 GPa降低到7 GPa，而沿⟨001⟩方向的压缩模量从5.5 GPa降低到1.5 GPa。沿⟨110⟩和⟨001⟩方向的热导率随着温度从-140°C升高到100°C分别在1.32-0.52和2.06-1.05 W/(m·K)的范围内变化，然后保持稳定在 100–150 °C 的范围内。Hg 2 Br 2原子间电子转移特性和分子内键合性质的第一性原理计算晶体，大的各向异性机械和热性能可以解释，这主要归因于化合物的一维链结构。值得注意的是，Hg 2 Br 2晶体在低温下的机械和热性能优于高温下的机械和热性能，这保证了AOTFs在空间极端环境中的实际应用。
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