Yu Jin, Guo Wanlin
Key Laboratory for Intelligent Nano Materials and Devices of MOE and State Key Laboratory of Mechanics and Control of Mechanical Structures, Institute of Nano Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China.
J Phys Chem Lett. 2013 Mar 21;4(6):951-5. doi: 10.1021/jz4001328. Epub 2013 Mar 8.
In contrast to the well-recognized transverse-electric-field-induced half-metallicity in zigzag graphene nanoribbons, here, we demonstrate by first-principles calculations that zigzag graphene nanoribbons sandwiched between hexagonal boron nitride nanoribbons or sheets can be tuned into half-metal simply by a bias voltage or a moderate compressive strain. The half-metallicity is attributed to an enhanced coupling effect of spontaneous polarization and asymmetrical exchange correlation along the ribbon width. The findings should open a viable route for efficient spin-resolved band engineering in graphene-based devices that are compatible with the current technology of the semiconductor industry.
与锯齿形石墨烯纳米带中广为人知的横向电场诱导半金属性不同，在此我们通过第一性原理计算表明，夹在六方氮化硼纳米带或薄片之间的锯齿形石墨烯纳米带可以通过偏置电压或适度的压缩应变简单地调制成半金属。这种半金属性归因于沿带宽度方向自发极化和不对称交换关联的增强耦合效应。这些发现应为基于石墨烯的器件中与半导体行业当前技术兼容的高效自旋分辨能带工程开辟一条可行的途径。
