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The energies of the ideal (1×1), dimer (2×1) and trimer (3×1) structures on (001) surfaces have been calculated by using MEAM for three diamond cubic crystals C, Si and Ge. From energy minimization, the dimer (2×1) and trimer (3×1) reconstructions can be formed naturally and without any barrier. The dimer corresponding to the lowest energy implies it is the easiest to be formed and the most stable...
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