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电场与弯曲对五边形石墨烯纳米带电学和磁学性质的耦合效应。

Coupling effects of the electric field and bending on the electronic and magnetic properties of penta-graphene nanoribbons.

作者信息

He C, Wang X F, Zhang W X

机构信息

State Key Laboratory for Mechanical Behavior of Materials, School of Materials Science and Engineering, Xi'an Jiaotong University, Xi'an 710049, China.

出版信息

Phys Chem Chem Phys. 2017 Jul 19;19(28):18426-18433. doi: 10.1039/c7cp03404k.

Abstract

Quasi one-dimensional materials made from carbon have attracted a lot of attention because of their interesting properties and potential applications in electronic devices. Recently, new kinds of carbon allotropes named as penta-graphene nanoribbons (P-GNRs) have been proposed. By implementing first-principles calculations, P-GNRs exhibit large tunable band gaps under bending stress, and the band gaps of P-GNRs are easier to control than those of GNRs. In addition, the order of spin moments of P-GNRs can transform from ferromagnetic to antiferromagnetic under the coupling effect of the electric field and bending strain, thus resulting in a significant change of magnetism. Therefore, the diverse electronic and magnetic properties highlight the potential applications of P-GNRs in flexible displays, wearable computation electronics and digital memory devices.

摘要

由碳制成的准一维材料因其有趣的性质以及在电子器件中的潜在应用而备受关注。最近,人们提出了一种名为五边形石墨烯纳米带(P-GNRs)的新型碳同素异形体。通过进行第一性原理计算,P-GNRs在弯曲应力下表现出大的可调带隙,并且P-GNRs的带隙比石墨烯纳米带(GNRs)的带隙更容易控制。此外,在电场和弯曲应变的耦合作用下,P-GNRs的自旋矩顺序可以从铁磁转变为反铁磁,从而导致磁性发生显著变化。因此,P-GNRs多样的电子和磁性特性突出了其在柔性显示器、可穿戴计算电子设备和数字存储器件中的潜在应用。

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