论文标题
磁性CRI3纳米底子的可控光学和磁光能
Controllable optical and magneto-optical properties of magnetic CrI3 nanoribbons
论文作者
论文摘要
CRI3的单层具有惊人的铁磁地面状态。在这项工作中，我们计算具有密度功能理论的抗拉伸和曲折的曲折和弯曲的曲折曲折CRI3纳米容器的带状结构和磁矩。边缘碘原子形成平坦的低洼传导带，并与铬原子仿制，而非边缘碘原子在抗fiferromagnet上弱弱。 CRI3纳米容器对平面外和平面磁矩构型具有几乎相等的偏好，略有利于平面内。我们还使用多体扰动GW-BSE（伯特 - 钙板方程）来计算光吸收，并研究磁光特性，包括磁二色症，法拉第和磁光kerr效应。低能量的深色激子主要来自电子和孔之间的过渡，与旋转不同，非翅片样的旋转激子具有混合的自旋构型。拉伸菌株和弯曲表现显着调节CRI3纳米纤维在技术上重要的光子能量范围内的吸收光谱和磁光能，〜1.0-2.0 eV，这表明潜在的可调光磁性磁性磁性磁性光电量。
A monolayer of CrI3 has an amazing ferromagnetic ground-state. In this work, we calculate band structures and magnetic moments of tensile-strained and bent zigzag CrI3 nanoribbons with density functional theory. The edge iodine atoms form flat low-lying conduction bands and couple with chromium atoms ferromagnetically, while the non-edge iodine atoms weakly couple antiferromagnetically. CrI3 nanoribbons have a nearly equal preference for the out-of-plane and in-plane magnetic moment configurations, slightly favoring the in-plane one. We also calculate optical absorption with many-body perturbation GW-BSE (Bethe-Salpeter equation) and investigate magneto-optical properties, including magnetic dichroism, Faraday and magneto-optical Kerr effects. The low-energy dark excitons are mainly from transitions between electrons and holes with unlike spins and are non-Frenkel-like, while the bright excitons have mixed spin configurations. Tensile strains and bending manifestly modulate the absorption spectra and magneto-optical properties of CrI3 nanoribbons within a technologically important photon energy-range of ~1.0-2.0 eV, suggesting a potential application in tunable magnetic optoelectronics.
