Citation: SUN Jin, . Effects of External Field and Nanoribbon Length on the Electronic Structure and Properties of Graphene Nanoribbons[J]. Acta Physico-Chimica Sinica, ;2014, 30(3): 439-445. doi: 10.3866/PKU.WHXB201401141 shu

Effects of External Field and Nanoribbon Length on the Electronic Structure and Properties of Graphene Nanoribbons

SUN Jin ^1, ,
²

1.
1 School of Physics and Materials Science, Anhui University, Hefei 230039, P. R. China;
2 Department of Chemistry, Xiamen University, Xiamen 361005, Fujian Province, P. R. China

Received Date: 9 October 2013
Available Online: 14 January 2014
Fund Project: 国家自然科学基金(21103001) (21103001)高等学校博士学科点专项科研基金(20113401120004)资助项目 (20113401120004)

We investigated the ground and excited state electronic properties of finite length zigzag graphene nanoribbons, using time-dependent density functional theory. The ground state of short graphene nanoribbons with eight Hatoms on their armchair edges (8-ZGNR) is diamagnetic, and antiferromagnetismcan be exhibited with increasing the length of nanoribbons. The antiferromagnetismand half-metallicity can also be shown when a static field is added. When a laser pulse is applied in the excited state, the induced electrons can move and change with the laser pulse. There exist some differences between α- and β-spin electrons. α-Spin electrons can be induced, and showinduced charge density more readily. β-Spin electrons can escape the external field control, and show non-adiabatic properties more readily.
- Graphene nanoribbon,
- Time-dependent density functional theory,
- Spin density;,
- Induce density,
- Laser external field
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