首页> 外文期刊>Nanotechnology >Dirac equation description of the electronic states and magnetic properties of a square graphene quantum dot
【24h】

Dirac equation description of the electronic states and magnetic properties of a square graphene quantum dot

机译:Dirac方程描述方形石墨烯量子点的电子态和磁性

获取原文
获取原文并翻译 | 示例
获取外文期刊封面目录资料

摘要

Electronic eigenstates of a square graphene quantum dot (GQD) terminated by both zigzag and armchair edges are derived in the theoretical framework of the Dirac equation. We find that the Dirac equation can determine the eigenenergy spectrum of a GQD with high accuracy even if its size is reduced to a few nanometers. More importantly, from the Dirac equation description we can readily work out the number and energy gap of the conjugate surface states, which are intimately associated with the magnetic properties of the GQD. By using the Hartree-Fock mean field approach, we study the size dependence of the magnetic ordering formation in this square GQD. We find that there exists a critical size of the width between the two zigzag edges to indicate the onset of the stable magnetic ordering. On the other hand, when such a width increases further, the magnetic ground state energy of a charge neutral GQD tends to a saturated value. These results coincide with the previous results obtained from the first-principles calculation. Then, based on the Dirac equation solution about the surface state, we establish a simple two-state model which can quantitatively explain the size dependence of the magnetic ordering in the square GQD.
机译:在Dirac方程的理论框架中,得出了由之字形和扶手椅状边缘终止的方形石墨烯量子点(GQD)的电子本征态。我们发现,即使Dirac方程的尺寸减小到几纳米,它也可以高精度地确定GQD的本征能谱。更重要的是,根据狄拉克方程的描述,我们可以很容易地算出共轭表面态的数量和能隙,它们与GQD的磁性能密切相关。通过使用Hartree-Fock平均场方法,我们研究了该正方形GQD中磁有序形成的大小依赖性。我们发现在两个之字形边缘之间存在临界宽度宽度,以指示稳定的磁序的开始。另一方面,当这种宽度进一步增大时,电荷中性GQD的磁性基态能量趋于饱和值。这些结果与从第一原理计算获得的先前结果一致。然后,基于关于表面状态的Dirac方程解,我们建立了一个简单的二态模型,该模型可以定量地解释正方形GQD中磁有序的尺寸依赖性。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号