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Issue 24, 2013
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Stability and electronic properties of ultrathin films of silicon and germanium

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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

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Publication details

The article was received on 02 Mar 2013, accepted on 10 Apr 2013 and first published on 15 Apr 2013


Article type: Paper
DOI: 10.1039/C3CP50944C
Citation: Phys. Chem. Chem. Phys., 2013,15, 9710-9715
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    Stability and electronic properties of ultrathin films of silicon and germanium

    D. Kaltsas and L. Tsetseris, Phys. Chem. Chem. Phys., 2013, 15, 9710
    DOI: 10.1039/C3CP50944C

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