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(Color online) Monohydride (105) reconstructions with two different densities of hydrogenated bonds , (SR, DT) and (SU, DU), where is the bulk lattice constant of Si or Ge. The hydrogen atoms are shown as smaller white spheres.
(Color online) Surface energies (in ) of clean [(a) and (b)] and monohydride [(c) and (d)] Si and Ge surfaces plotted vs biaxial strain (in %). (c) and (d) show surface energy curves for two values of the H chemical potential. The energies of double-step structures are plotted as dashed (DT) or dotted lines (DU). The crossing between SR and (001) curves [present in (a) and (b)] largely disappears when the surfaces are monohydride passivated [(c) and (d)].
Surface energy ratios for monohydride reconstructions at and , compared to the ratios of densities of H-passivated bonds.
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