Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium
Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium
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DOI：
10.1103/physrevlett.102.236804
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发表时间：
2009-06-12
影响因子：
8.6
通讯作者：
Ciraci, S.
中科院分区：
文献类型：
--
作者：
Cahangirov, S.;Topsakal, M.;Ciraci, S.
第一原理的结构优化，声子模式和有限温度分子动力学的计算预测，硅和锗可以具有稳定的，二维的，低弯曲的蜂窝结构。与石墨烯类似，这些皱纹的结构是双极性的，由于它们的pi和pi和pi（*）频带，它们的电荷载体可能像无质量的dirac fermion一样行为，它们在费米水平上线性交叉。除了这些基本特性外，Si和GE的裸露和氢钝化的纳米纤维还显示出显着的电子和磁性特性，这些特性依赖于大小和方向。这些属性为各种纳米版的工程提供了有趣的替代方法。
First-principles calculations of structure optimization, phonon modes, and finite temperature molecular dynamics predict that silicon and germanium can have stable, two-dimensional, low-buckled, honeycomb structures. Similar to graphene, these puckered structures are ambipolar and their charge carriers can behave like a massless Dirac fermion due to their pi and pi(*) bands which are crossed linearly at the Fermi level. In addition to these fundamental properties, bare and hydrogen passivated nanoribbons of Si and Ge show remarkable electronic and magnetic properties, which are size and orientation dependent. These properties offer interesting alternatives for the engineering of diverse nanodevices.