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Mg diffusion in Si on a thermodynamic basis

机译:镁在硅中的热力学扩散

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In the present work, magnesium diffusion in silicon studied recently in the temperature range 600–1200 °C (Astrov et al. in Phys Status Solidi A 214:1700192, 2017; Shuman et al. in Semiconductors 51:5, 2017) is investigated on the basis of the cBΩ thermodynamic model, which connects point defect parameters with the macroscopic elastic and expansion properties. The calculated activation Gibbs free energy, activation enthalpy, activation entropy, activation volume and activation specific heat of Mg diffusion exhibit non-linear temperature dependence, due to the anharmonic behavior of the isothermal bulk modulus of Si. The calculated activation enthalpy of diffusion (1.67–2.12 eV) is in agreement with the reported experimental value (1.83 ± 0.02 eV) of Mg diffusion in Si, whereas the calculated activation volume (60% of the mean atomic volume) is compatible with the reported interstitial diffusion of Mg impurities.
机译:在目前的工作中,最近研究了温度范围为600-1200°C的硅中镁的扩散(Astrov等人在Phys Status Solidi A 214:1700192,2017; Shuman等人在半导体51:5,2017)基于cBΩ热力学模型,该模型将点缺陷参数与宏观弹性和膨胀特性联系起来。由于Si的等温体积模量的非谐行为,计算出的活化Gibbs自由能,活化焓,活化熵,活化体积和Mg扩散的活化比热表现出非线性温度依赖性。计算出的扩散激活焓(1.67–2.12eV)与报道的Si中Mg扩散的实验值(1.83±0.02eV)一致,而计算出的激活体积(平均原子体积的60%)与报告镁杂质的间隙扩散。

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