Fig. 3: Schematic diagram illustrating the coupling and the corresponding energy level shift of the dangling-bond-induced surface states.
From: Self-passivation reduces the Fermi level pinning in the metal-semiconductor contacts
a The process of cleavage along the (001) plane in bulk Si or Ge, and the rehybridization of the \(s{p}^{3}\) states of the dangling bonds into \({p}_{{xy}}\) and \({{sp}}_{z}\) states, which will couple together to form new dangling-bond-induced surface states. b The coupling of adjacent (001) surface atomic orbitals in the [110] direction resulting from the dimerization in the p(2 × 2) dimer reconstruction configuration on the Si (001) and Ge (001) bare surfaces before metal deposition. Here, \(d\) and \(V\) represent the distance between two dimer atoms and the energy level shift caused by various types of orbital coupling.
