托马斯-费米-冯-魏茨萨克理论中的二维材料均质化

Saad Benjelloun, Salma Lahbabi, Abdelqoddous Moussa
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摘要

我们研究了二维材料的Thomas-Fermi-von Weizsacker (TFW)模型的均匀化问题。它包括考虑周期趋于零的二维周期核密度。我们研究了相应的基态、电子密度和基态能量的行为。主要的结果是,这些三维问题收敛到一个一维的极限模型。我们还用数值模拟说明了这种收敛性,并估计了基态电子密度和基态能量的收敛速率。
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Homogenization of 2D materials in the Thomas-Fermi-von Weizsacker theory
We study the homogenization of the Thomas-Fermi-von Weizsacker (TFW) model for 2D materials. It consists in considering 2D-periodic nuclear densities with periods going to zero. We study the behavior of the corresponding ground state electronic densities and ground state energies. The main result is that these three dimensional problems converge to a limit model that is one dimensional. We also illustrate this convergence with numerical simulations and estimate the converging rate for the ground state electronic densities and the ground state energies.
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