首页> 外文会议>International Conference on Smart Materials Applications >Germanium Atom Substitution in Monolayer Graphene:A First-principles Study
【24h】

Germanium Atom Substitution in Monolayer Graphene:A First-principles Study

机译:Monolayer Graphene的锗原子替代:一项第一原理研究

获取原文

摘要

In this work, structure, electronic and optical parameters of germanium (Ge) atom substituted monatomic graphene are demonstrated through first-principles study (FPS) computations. The concentration of Ge atoms was changed from 2.5 % to 7.5 % and the effects of varying concentration on aforementioned properties were investigated. It is observed that, replacing C atoms with Ge in graphene leads to a finite bandgap opening at the Dirac K-point, thereby producing a direct bandgap semiconducting graphene. We also found that, Ge doping in graphene significantly changes its refractive index parameter. Moreover, Ge atom doping in graphene reduces the overall absorption coefficient, though it observes a considerable red-shift towards the visible region of spectrum. Graphene reflectivity improves in low lying energy region after Ge atom substitution in its lattice. These results can pave a new route for tuning the electronic and optical properties of graphene to make it functional for nanoelectronics and optoelectronic device applications.
机译:在这项工作中,通过第一原理研究(FPS)计算证明了锗(Ge)原子取代的单体石墨烯的结构,电子和光学参数。 GE原子的浓度从2.5%变为7.5%,研究了不同浓度对上述性能的影响。据观察,在石墨烯中的引线与锗取代的C原子以狄拉克K点的有限的带隙开口,从而产生直接带隙半导体石墨烯。我们还发现,GE掺杂石墨烯显着改变其折射率参数。此外,在石墨烯中掺杂的GE原子掺杂降低了整体吸收系数,尽管它观察到朝向可见光谱区域的相当大的红移。在其晶格中的GE原子取代后,石墨烯反射率提高了低位能量区域。这些结果可以铺平新的路线,用于调整石墨烯的电子和光学性质,使其对纳米电子和光电器件应用功能。

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