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用于应变石墨烯表面电子动力学的数值拟共形变换

Numerical quasiconformal transformations for electron dynamics on strained graphene surfaces.

作者信息

Fillion-Gourdeau François, Lorin Emmanuel, MacLean Steve

机构信息

Institute for Quantum Computing, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1.

Infinite Potential Laboratories, Waterloo, Ontario, Canada N2L 0A9.

出版信息

Phys Rev E. 2021 Jan;103(1-1):013312. doi: 10.1103/PhysRevE.103.013312.

Abstract

The dynamics of low-energy electrons in general static strained graphene surface is modelled mathematically by the Dirac equation in curved space-time. In Cartesian coordinates, a parametrization of the surface can be straightforwardly obtained, but the resulting Dirac equation is intricate for general surface deformations. Two different strategies are introduced to simplify this problem: the diagonal metric approximation and the change of variables to isothermal coordinates. These coordinates are obtained from quasiconformal transformations characterized by the Beltrami equation, whose solution gives the mapping between both coordinate systems. To implement this second strategy, a least-squares finite-element numerical scheme is introduced to solve the Beltrami equation. The Dirac equation is then solved via an accurate pseudospectral numerical method in the pseudo-Hermitian representation that is endowed with explicit unitary evolution and conservation of the norm. The two approaches are compared and applied to the scattering of electrons on Gaussian shaped graphene surface deformations. It is demonstrated that electron wave packets can be focused by these local strained regions.

摘要

一般静态应变石墨烯表面低能电子的动力学通过弯曲时空的狄拉克方程进行数学建模。在笛卡尔坐标系中,可以直接获得表面的参数化,但对于一般的表面变形,所得的狄拉克方程很复杂。引入了两种不同的策略来简化这个问题:对角度量近似和变量变换到等温坐标。这些坐标是通过以贝尔特拉米方程为特征的拟共形变换获得的,其解给出了两个坐标系之间的映射。为了实施第二种策略,引入了一种最小二乘有限元数值方案来求解贝尔特拉米方程。然后通过精确的伪谱数值方法在具有显式酉演化和范数守恒的伪厄米表示中求解狄拉克方程。对这两种方法进行了比较,并应用于电子在高斯形石墨烯表面变形上的散射。结果表明,电子波包可以被这些局部应变区域聚焦。

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