Phonon relaxation time reconstruction from transient thermal grating experiments and comparison with density functional theory predictions
Phonon relaxation time reconstruction from transient thermal grating experiments and comparison with density functional theory predictions
复制标题
瞬态热光栅实验的声子弛豫时间重建以及与密度泛函理论预测的比较
DOI：
10.1063/1.5062846
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发表时间：
2019
影响因子：
4
通讯作者：
N. Hadjiconstantinou
中科院分区：
文献类型：
--
作者：
M. Forghani;N. Hadjiconstantinou
声子弛豫时间和自由程分布的重建从实验测量的二维瞬态热光栅和密度泛函理论（DFT）的硅的结果进行比较。使用Forghani等人[Phys. Rev. B 94，155439（2016）]的逆问题公式进行重建。重建和DFT结果之间观察到的差异进行分析的能力，每组数据重现实验温度弛豫曲线;重建的数据被发现预测温度曲线与实验数据比DFT结果更接近一致，可能是由于实际材料之间的差异和理想化的模型研究在DFT计算。重建的声子性质准确地预测温度弛豫分布在光栅的长度尺度小于那些跨越的实验数据。这是一个非常重要的功能，因为在各种实验设置，包括在本研究中提供的数据之一，测量是不可用的，在所有尺度跨越的材料自由paths.Phonon弛豫时间和自由程分布重建从实验测量的二维瞬态热光栅和密度泛函理论（DFT）的结果硅。使用Forghani等人[Phys. Rev. B 94，155439（2016）]的逆问题公式进行重建。重建和DFT结果之间观察到的差异进行分析的能力，每组数据重现实验温度弛豫曲线;重建的数据被发现预测温度曲线与实验数据比DFT结果更接近一致，可能是由于实际材料之间的差异和理想化的模型研究在DFT计算。重建的声子性质准确地预测温度弛豫分布在光栅的长度尺度小于那些跨越的实验数据。这是一个非常重要的特征，因为在各种实验装置中，包括...
Phonon relaxation time and free path distributions are reconstructed from experimental measurements on a two-dimensional transient thermal grating and compared with density functional theory (DFT) results for silicon. The reconstruction is performed using the inverse problem formulation of Forghani et al. [Phys. Rev. B 94, 155439 (2016)]. The discrepancies observed between reconstructed and DFT results are analyzed in terms of the ability of each set of data to reproduce the experimental temperature relaxation profiles; the reconstructed data are found to predict temperature profiles in closer agreement with the experimental data than the DFT results, possibly due to discrepancies between the actual material and the idealized model studied in the DFT calculations. The reconstructed phonon properties accurately predict temperature relaxation profiles at grating length scales smaller than those spanned by the experimental data. This is a very important feature since in a variety of experimental setups, including the one providing the data in the present study, measurements are not available at all scales spanned by the material free paths.Phonon relaxation time and free path distributions are reconstructed from experimental measurements on a two-dimensional transient thermal grating and compared with density functional theory (DFT) results for silicon. The reconstruction is performed using the inverse problem formulation of Forghani et al. [Phys. Rev. B 94, 155439 (2016)]. The discrepancies observed between reconstructed and DFT results are analyzed in terms of the ability of each set of data to reproduce the experimental temperature relaxation profiles; the reconstructed data are found to predict temperature profiles in closer agreement with the experimental data than the DFT results, possibly due to discrepancies between the actual material and the idealized model studied in the DFT calculations. The reconstructed phonon properties accurately predict temperature relaxation profiles at grating length scales smaller than those spanned by the experimental data. This is a very important feature since in a variety of experimental setups, incl...
影响因子：
6.3
作者：
Li, Wu;Carrete, Jesus;Mingo, Natalio
通讯作者：
Mingo, Natalio