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Investigation of the Thermal Properties and Crystal Growth of the Nonlinear Optical Crystals AgGaS2 and AgGaGeS4
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2020-03-19 , DOI: 10.1021/acs.cgd.0c00018 Jun Wu 1 , Wei Huang 1 , Hong-gang Liu 1 , Zhiyu He 1 , Baojun Chen 1 , Shifu Zhu 1 , Beijun Zhao 1 , Yuxing Lei 1 , Xiaonan Zhou 1
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2020-03-19 , DOI: 10.1021/acs.cgd.0c00018 Jun Wu 1 , Wei Huang 1 , Hong-gang Liu 1 , Zhiyu He 1 , Baojun Chen 1 , Shifu Zhu 1 , Beijun Zhao 1 , Yuxing Lei 1 , Xiaonan Zhou 1
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The thermal properties of orthorhombic AgGaGeS4 and chalcopyrite AgGaS2 crystals, including thermal expansion, specific heat, and thermal conductivity, have been investigated. For the AgGaS2 crystal, we have accurately determined the thermal expansion coefficients αa and αc with a thermal dilatometer in the temperature range of 298–850 K. It is found that αc decreases with increasing temperature, which confirms the negative thermal expansion of a AgGaS2 crystal along the c axis, and we have given a reasonable explanation of the negative thermal expansion mechanism. Further, the least-squares method has been applied to get linear curve fittings for αa and αc. In addition, we also have deduced the Grüneision parameters, specific heat capacity, and thermal conductivity of AgGaS2 and all of them exhibit anisotropic behavior. For AgGaGeS4, both high-temperature X-ray powder diffraction measurements and a thermal dilatometer were adopted to study the thermal expansion behavior of a AgGaGeS4 crystal, and we have compared the results of these two different test methods. Furthermore, the isobaric specific heat and harmonic specific heat of AgGaS2 and AgGaGeS4 were obtained by experiment and calculation, and the anharmonic part of the specific heat was obtained by fitting. In addition, lattice thermal conductivities of AgGaS2 in the temperature range of 298–850 K have been calculated, which are consistent with our actual measurement results at 298–473 K, while the values of thermal conductivity along [100], [010], and [001] of AgGaGeS4 at room temperature are found to be 0.629, 0.495, and 0.336 W/(m K), respectively. Finally, using an AgGaS2 single crystal seed with the c axis and AgGaGeS4 single crystal seeds with the a, b, and c axes, with an improved growth process according to the obtained thermodynamic parameters, we have grown high-quality AgGaS2 and AgGaGeS4 single crystals with a diameter of 40 mm and a length of 60–90 mm.
中文翻译：
非线性光学晶体AgGaS 2和AgGaGeS 4的热性质和晶体生长的研究
研究了正交晶AgGaGeS 4和黄铜矿AgGaS 2晶体的热学性质，包括热膨胀，比热和导热系数。对于AgGaS 2晶体，我们已经精确地确定了热膨胀系数α一个和α ç与我们发现在温度范围298-850 K的示热膨胀计该α Ç随着温度的升高，这证实了负热膨胀减小沿c的AgGaS 2晶体轴，我们对负热膨胀机理做了合理的解释。此外，最小二乘法已应用于获得线性曲线配件α一个和α Ç。此外，我们还推导出Grüneision参数，比热容，和AgGaS的导热系数2，他们都表现出各向异性行为。对于AgGaGeS 4，同时采用高温X射线粉末衍射测量和热膨胀计来研究AgGaGeS 4晶体的热膨胀行为，并且我们比较了这两种不同测试方法的结果。此外，AgGaS 2的等压比热和谐波比热通过实验和计算获得了AgGaGeS 4和AgGaGeS 4，并通过拟合获得了比热的非谐部分。此外，已经计算出在298–850 K的温度范围内AgGaS 2的晶格热导率，这与我们在298–473 K时的实际测量结果一致，而热导率的值分别为[100]，[010]室温下的AgGaGeS 4的[001]和[001]分别为0.629、0.495和0.336 W /（m K）。最后，使用具有c轴的AgGaS 2单晶种和具有a，b和c的AgGaGeS 4单晶种轴，根据获得的热力学参数改进了生长过程，我们已经生长了直径40 mm，长度60-90 mm的高质量AgGaS 2和AgGaGeS 4单晶。
更新日期：2020-03-19
中文翻译：
非线性光学晶体AgGaS 2和AgGaGeS 4的热性质和晶体生长的研究
研究了正交晶AgGaGeS 4和黄铜矿AgGaS 2晶体的热学性质，包括热膨胀，比热和导热系数。对于AgGaS 2晶体，我们已经精确地确定了热膨胀系数α一个和α ç与我们发现在温度范围298-850 K的示热膨胀计该α Ç随着温度的升高，这证实了负热膨胀减小沿c的AgGaS 2晶体轴，我们对负热膨胀机理做了合理的解释。此外，最小二乘法已应用于获得线性曲线配件α一个和α Ç。此外，我们还推导出Grüneision参数，比热容，和AgGaS的导热系数2，他们都表现出各向异性行为。对于AgGaGeS 4，同时采用高温X射线粉末衍射测量和热膨胀计来研究AgGaGeS 4晶体的热膨胀行为，并且我们比较了这两种不同测试方法的结果。此外，AgGaS 2的等压比热和谐波比热通过实验和计算获得了AgGaGeS 4和AgGaGeS 4，并通过拟合获得了比热的非谐部分。此外，已经计算出在298–850 K的温度范围内AgGaS 2的晶格热导率，这与我们在298–473 K时的实际测量结果一致，而热导率的值分别为[100]，[010]室温下的AgGaGeS 4的[001]和[001]分别为0.629、0.495和0.336 W /（m K）。最后，使用具有c轴的AgGaS 2单晶种和具有a，b和c的AgGaGeS 4单晶种轴，根据获得的热力学参数改进了生长过程，我们已经生长了直径40 mm，长度60-90 mm的高质量AgGaS 2和AgGaGeS 4单晶。
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