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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Tailoring the opto-electronic response of graphene nanoflakes by size and shape optimization
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Tailoring the opto-electronic response of graphene nanoflakes by size and shape optimization

机译：按大小和形状优化定制石墨烯纳米薄片的光电响应

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The long spin-diffusion length, spin-lifetime and excellent optical absorption coefficient of graphene provide an excellent platform for building opto-electronic devices and spin-based logic in a nanometer regime. In this study, by using density functional theory and its time-dependent version, we provide a detailed analysis of how the size and shape of graphene nanoflakes can be used to alter their magnetic structures and optical properties. As the edges of zigzag graphene nanoribbons are known to align anti-ferromagnetically and armchair nanoribbons are typically non-magnetic, a combination of both in a nanoflake geometry can be used to optimize the ground-state magnetic structure and tailor the exchange coupling decisive for ferro- or anti-ferromagnetic edge magnetism, thereby offering the possibility to optimize the external fields needed to switch magnetic ordering. Most importantly, we show that the magnetic state alters the optical response of the flake leading to the possibility of opto-spintronic applications.
机译：长自旋扩散长度，自旋寿命和石墨烯的优异的光学吸收系数用于在纳米范围构建光电器件和自旋基于逻辑提供一个很好的平台。在这项研究中，通过使用密度泛函理论和其随时间变化的版本中，我们提供了如何石墨烯纳米薄片的大小和形状可用于改变它们的磁结构和光学特性的详细分析。由于锯齿形石墨烯纳米带的边缘是已知的对准反铁磁和扶手椅纳米带通常是非磁性的，两者在纳米片几何形状的组合可以被用来优化基态磁结构和裁缝的交换耦合决定性的铁 - 或者反铁磁边缘磁力，从而提供优化切换磁有序所需的外部场的可能性。更重要的是，我们表明，磁状态改变鳞片导致的光电自旋电子应用的可能性的光学响应。

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