利用铁电聚合物控制石墨烯纳米带的半金属性
Controlling Half-Metallicity of Graphene Nanoribbons by Using a Ferroelectric Polymer
摘要：
基于第一性原理计算方法，我们提出了一种利用铁电材料聚偏氟乙烯（PVDF）驱动锯齿形石墨烯纳米带（ZGNRs）进入半金属态的新方法.由于PVDF的强偶极矩，当在ZGNR上实现PVDF的临界覆盖时，ZGNR的基态变为半金属。由于铁电聚合物是物理吸附的，PVDF中的偶极场的方向可以通过相对小的外部电场旋转，并且可以实现半金属和绝缘状态之间的切换。我们的研究结果表明，在没有过大的外部栅极电场的情况下，ZGNR的半金属态可以通过铁电聚合物的沉积来实现，并且它们的电子和磁性可以通过非侵入性的相互作用来控制。
英文摘要：
On the basis of first-principles computational approaches, we present a new method to drive zigzag graphene nanoribons (ZGNRs) into the half-metallic state using a ferroelectric material, poly(vinylidene fluoride) (PVDF). Owing to strong dipole moments of PVDFs, the ground state of the ZGNR becomes half-metallic when a critical coverage of PVDFs is achieved on the ZGNR. Since ferroelectric polymers are physisorbed, the direction of the dipole field in PVDFs can be rotated by relatively small external electric fields, and the switching between half-metallic and insulating states may be achieved. Our results suggest that, without excessively large external gate electric fields, half-metallic states of ZGNRs are realizable through the deposition of ferroelectric polymers and their electronic and magnetic properties are controllable via noninvasive mutual interactions.
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