Revising morphology of 〈111〉-oriented silicon and germanium nanowires

Nano Convergence

Table 1 The diameter ( d , nm), the number of atoms in the unit cell ( N ) and the lattice parameter along the wire axis ( a _∥ , Å) for SiNWs and GeNWs with different morphologies after structural optimization

For the simplicity reason Si{011} and Ge{011} denote morphology of SiNWs and GeNWs shown in Figure 1, whereas Si{112}, Ge{112} correspond to the cases in Figure 2 and Si{112}-t, Ge{112}-t indicate morphology presented in Figure 3. The lattice parameters of bulk silicon and germanium are a _Si = 5.467 Å and a _Ge = 5.646 Å. a _∥ is rescaled (divided by \(\sqrt {\mathbf {3}}\)) in order to correspond to the unit of the corresponding bulk lattice parameters.