Tunable band gap and magnetic ordering by adsorption of molecules on graphene
Tunable band gap and magnetic ordering by adsorption of molecules on graphene
复制标题
DOI：
10.1103/physrevb.80.033404
复制
发表时间：
2009-07-01
影响因子：
3.7
通讯作者：
Chakraborty, Tapash
中科院分区：
文献类型：
--
作者：
Berashevich, Julia;Chakraborty, Tapash
我们研究了石墨烯的电子和磁性以及由于吸附水和其他气体分子而引起的改性。吸附在纳米级石墨烯上的水和气体分子被发现扮演缺陷的角色，这有助于带隙的可调谐性，并使我们能够控制边缘局域态的磁有序。被吸附的分子将对应于石墨烯的α自旋（上）和β自旋（下）状态的波函数推到相对的（Z字形）边缘。这打破了亚晶格和分子点群对称性，导致大带隙的开放。波函数位移的效率强烈地依赖于吸附的分子的类型。
We have studied the electronic and magnetic properties of graphene and their modification due to the adsorption of water and other gas molecules. Water and gas molecules adsorbed on nanoscale graphene were found to play the role of defects which facilitate the tunability of the bandgap and allow us to control the magnetic ordering of localized states at the edges. The adsorbed molecules push the wave functions corresponding to alpha-spin (up) and beta-spin (down) states of graphene to the opposite (zigzag) edges. This breaks the sublattice and molecular point group symmetry that results in opening of a large bandgap. The efficiency of the wave-function displacement depends strongly on the type of molecules adsorbed.