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Dielectric screening in two-dimensional insulators: Implications for excitonic and impurity states in graphane

机译:二维绝缘子中的介电屏蔽:对二维绝缘子的影响   石墨烯中的激子和杂质态

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摘要

For atomic thin layer insulating materials we provide an exact analytic formof the two-dimensional screened potential. In contrast to three-dimensionalsystems where the macroscopic screening can be described by a static dielectricconstant in 2D systems the macroscopic screening is non local (q-dependent)showing a logarithmic divergence for small distances and reaching theunscreened Coulomb potential for large distances. The cross-over of these tworegimes is dictated by 2D layer polarizability that can be easily computed bystandard first-principles techniques. The present results have strongimplications for describing gap-impurity levels and also exciton bindingenergies. The simple model derived here captures the main physical effects andreproduces well, for the case of graphane, the full many-body GW plusBethe-Salpeter calculations. As an additional outcome we show that the impurityhole-doping in graphane leads to strongly localized states, what hampersapplications in electronic devices. In spite of the inefficient and nonlocaltwo-dimensional macroscopic screening we demonstrate that a simple$\mathbf{k}\cdot\mathbf{p}$ approach is capable to describe the electronic andtransport properties of confined 2D systems.
机译:对于原子薄层绝缘材料,我们提供了二维屏蔽电势的精确解析形式。与在二维系统中可以通过静态介电常数描述宏观筛选的三维系统相反,宏观筛选是非局部的(q依赖),对小距离显示对数发散,对大距离达到未筛选的库仑势。这两个制度的交叉是由2D层极化率决定的,这可以通过标准的第一性原理技术轻松计算。本结果对描述间隙杂质水平以及激子结合能具有重要意义。对于石墨烷,这里导出的简单模型捕获了主要的物理效应,并且可以很好地重现,该模型包括完整的多体GW加Bethe-Salpeter计算。作为一个额外的结果,我们证明了在石墨烷中掺杂杂质孔会导致强烈的局部化状态,这阻碍了在电子设备中的应用。尽管效率低下和非局部二维宏观筛选,但我们证明了简单的\\ mathbf {k} \ cdot \ mathbf {p} $方法能够描述受限2D系统的电子和运输性质。

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