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The Pb/Si(111) thin films were simulated within the density functional theory (DFT). The well-known Perdew–Burke–Ernzerhof (PBE) version of the generalized gradient approximation (GGA) and its recent nonempirical successor Wu–Cohen (WC) issue were used to estimate the exchange-correlation functional. Lattice parameters were calculated for bulk of the Pb and Si compounds to obtain more reliable lattice...
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