School of Physics, National Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China.
Nanoscale. 2013 Oct 7;5(19):9118-22. doi: 10.1039/c3nr02535g. Epub 2013 Aug 1.
We report a first-principles study of the spintronic properties of zigzag graphene nanoribbons under vertical strain. An apparent spin-splitting of the energy band is obtained when a local deformation is created by the vertically applied strain. In particular, it is found that the spin-splitting is most obvious at the bottom of the conduction band. The value of the spin-splitting is related to the position, depth and size of the deformation. By changing the position of the local deformation from the edge to the center of the ribbon, the optimal position is obtained. Detailed calculations at the optimal position show that, for a given size, the spin-splitting value increases with the depth of the deformation, while for a given depth, the spin-splitting value decreases with the size of the deformation.
我们报告了在垂直应变下锯齿型石墨烯纳米带的自旋电子性质的第一性原理研究。当通过垂直施加的应变产生局部变形时，获得了能带的明显自旋劈裂。特别地，发现自旋劈裂在导带底部最明显。自旋劈裂的值与变形的位置、深度和大小有关。通过将局部变形的位置从边缘改变到带的中心，可以获得最佳位置。在最佳位置的详细计算表明，对于给定的尺寸，自旋劈裂值随变形深度的增加而增加，而对于给定的深度，自旋劈裂值随变形尺寸的增加而减小。
