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- W2067892893 abstract "Dimer induced reconstruction and metallicity of Ge(001) surface has been studied using SIESTA. Using slab model, we modeled our surface starting with symmetric dimerization of the surface atoms, which on optimization goes over to asymmetric(buckled) dimerization. It is found that there is a substantial decrease in the total energy of the slab. Calculated PDOS for dimer atoms on comparison with bulk density of states shows metallic states introduced around the Fermi energy." @default.
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- W2067892893 date "2011-01-01" @default.
- W2067892893 modified "2023-09-23" @default.
- W2067892893 title "Dimer Induced Reconstruction and Metallicity of Ge(001) Surface: Ab-initio SIESTA Study" @default.
- W2067892893 doi "https://doi.org/10.1063/1.3606015" @default.
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