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等压加热温稠密物质的 X 射线汤姆逊散射谱的第一性原理电子温度估计。

First-Principles Estimation of Electronic Temperature from X-Ray Thomson Scattering Spectrum of Isochorically Heated Warm Dense Matter.

机构信息

HEDPS, Center for Applied Physics and Technology, Peking University, Beijing 100871, China.

School of Physics, Peking University, Beijing 100871, China.

出版信息

Phys Rev Lett. 2018 May 18;120(20):205002. doi: 10.1103/PhysRevLett.120.205002.

Abstract

Through the perturbation formula of time-dependent density functional theory broadly employed in the calculation of solids, we provide a first-principles calculation of x-ray Thomson scattering spectrum of isochorically heated aluminum foil, as considered in the experiments of Sperling et al. [Phys. Rev. Lett. 115, 115001 (2015)PRLTAO0031-900710.1103/PhysRevLett.115.115001], where ions were constrained near their lattice positions. From the calculated spectra, we find that the electronic temperature cannot exceed 2 eV, much smaller than the previous estimation of 6 eV via the detailed balance relation. Our results may well be an indication of unique electronic properties of warm dense matter, which can be further illustrated by future experiments. The lower electronic temperature predicted partially relieves the concern on the heating of x-ray free electron laser to the sample when used in structure measurement.

摘要

通过广泛应用于固体计算的含时密度泛函理论的微扰公式,我们对 Sperling 等人在实验中考虑的等压加热铝箔的 X 射线汤姆逊散射光谱进行了第一性原理计算。[物理评论快报 115, 115001 (2015) PRLTAO0031-900710.1103/PhysRevLett.115.115001],其中离子被约束在其晶格位置附近。从计算出的光谱中,我们发现电子温度不能超过 2 eV,远小于通过详细平衡关系以前估计的 6 eV。我们的结果很可能表明了温稠密物质独特的电子性质,这可以通过未来的实验进一步说明。预测的较低电子温度部分减轻了人们对 X 射线自由电子激光加热样品用于结构测量时的担忧。

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