Electronic structure and optical properties of boron-sulfur symmetric codoping in 4 x 4 graphene systems

被引：10

作者：

Huang, Chen ^{[1
]}

Han, Lihong ^{[1
]}

Wu, Liyuan ^{[1
]}

Su, Rui ^{[2
]}

Chen, Jun ^{[2
]}

Lu, Pengfei ^{[1
]}

机构：

[1] Beijing Univ Posts & Telecommun, Minist Educ, State Key Lab Informat Photon & Opt Commun, Beijing 100876, Peoples R China

[2] Beijing Appl Phys & Computat Math, Beijing 100088, Peoples R China

来源：

EUROPEAN PHYSICAL JOURNAL B | 2015年 / 88卷 / 06期

基金：

中国国家自然科学基金;

关键词：

INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; DOPED GRAPHENE; BASIS-SET; BAND-GAP; NITROGEN; METALS;

D O I：

10.1140/epjb/e2015-60064-y

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electronic structure and optical properties of boron-doped, sulfur-doped, and boron-sulfur-codoped graphene systems have been studied by using first-principles calculations. Energy band structure and density of states are presented to describe the electronic properties. The doping can open the band gap and change the optical properties of graphene. For all optical properties of doped graphene systems, parallel (E-vertical bar vertical bar) polarization and perpendicular (E-+/-) polarization are presented. The optical properties under two kinds of polarizations are reflected in the range of peak height and the change of some extraordinary features.

引用

页码：1 / 7

页数：7

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