Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 15, Issue 24, Pages 9710-9715Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3cp50944c
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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 root 3 x root 3 reconstruction are more stable than honeycomb silicene. Likewise, honeycomb germanene is less stable than germanium ultrathin films with a root 3 x root 3 or 7 x 7 arrangement. root 3 x root 3 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.
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