Witte B B L, Fletcher L B, Galtier E, Gamboa E, Lee H J, Zastrau U, Redmer R, Glenzer S H, Sperling P
SLAC National Accelerator Laboratory, 2575 Sand Hill Road, MS 72 Menlo Park, California 94025 USA.
Institut für Physik, Universität Rostock, 18051 Rostock, Germany.
Phys Rev Lett. 2017 Jun 2;118(22):225001. doi: 10.1103/PhysRevLett.118.225001. Epub 2017 May 31.
We present simulations using finite-temperature density-functional-theory molecular dynamics to calculate the dynamic electrical conductivity in warm dense aluminum. The comparison between exchange-correlation functionals in the Perdew-Burke-Enzerhof and Heyd-Scuseria-Enzerhof (HSE) approximation indicates evident differences in the density of states and the dc conductivity. The HSE calculations show excellent agreement with experimental Linac Coherent Light Source x-ray plasmon scattering spectra revealing plasmon damping below the widely used random phase approximation. These findings demonstrate non-Drude-like behavior of the dynamic conductivity that needs to be taken into account to determine the optical properties of warm dense matter.
我们展示了使用有限温度密度泛函理论分子动力学进行的模拟,以计算热密铝中的动态电导率。在佩德韦-伯克-恩泽尔霍夫和海德-斯库塞里亚-恩泽尔霍夫(HSE)近似下的交换关联泛函之间的比较表明,态密度和直流电导率存在明显差异。HSE计算结果与实验直线加速器相干光源X射线等离子体散射光谱显示出极好的一致性,揭示了在广泛使用的随机相位近似以下的等离子体阻尼。这些发现表明动态电导率具有非德鲁德型行为,在确定热密物质的光学性质时需要考虑这一点。