The Asymmetric （2×1） Reconstruction of Ge（001） Surface from Solid-state Potentials

An empirical potential energy function comprising two- and three-body terms, whose parameters have been determined from the properties of solid germanium, is used to study the Symmetric and asymmetric （2×1） reconstructions of the Ge（001） surf see. It is found that the asymmetric reconstruction Ge（001） -（2×1） surface is more stable than the symmetric surface.The dimerization energy, dimer bond length and dimer bulking angle for surface atoms are obtained of 1.575eV, 2.549Å and1.6° , respectively.