960化工网
Stability and electronic properties of ultrathin films of silicon and germanium
Dimitrios Kaltsas,Leonidas Tsetseris
Physical Chemistry Chemical Physics Pub Date : 04/15/2013 00:00:00 , DOI:10.1039/C3CP50944C
Abstract

Recent studies have examined the possibility of growing honeycomb silicene and germanene, the silicon and germanium analogues of graphene. Here we use first-principles calculations to examine the relative stability of a number of other single-layer structures that are derived from prominent surface reconstructions of group-IV semiconductors. We find that Si single-layers with the geometry of the Image ID:c3cp50944c-t1.gif reconstruction are more stable than honeycomb silicene. Likewise, honeycomb germanene is less stable than germanium ultrathin films with a Image ID:c3cp50944c-t2.gif or 7 × 7 arrangement. Image ID:c3cp50944c-t3.gif Si and Ge single layers are metals with strong peaks at the Fermi level, and, in the case of Ge, they bear a magnetic moment. Overall, the results demonstrate that free-standing Si and Ge nano-sheets differ in key structural and electronic properties from graphene, and may thus provide systems with alternative functionalities.

Graphical abstract: Stability and electronic properties of ultrathin films of silicon and germanium
平台客服
平台客服
平台在线客服