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- W2028740240 abstract "Surface stress and chemisorption energy have been calculated for partially hydrogen-covered Si(001) surfaces by means of density-functional total-energy calculations. A stronger variation of the stress component ${ensuremath{sigma}}_{ensuremath{perp}}$ perpendicular to the Si-dimer bond with hydrogen coverage and adsorption geometry is observed as for the stress component ${ensuremath{sigma}}_{ensuremath{Vert}}$ parallel to the dimer bond. An approximation is suggested to generalize the ab initio results computed for periodically repeated $(2ifmmodetimeselsetexttimesfi{}2)$ surface unit cells to arbitrary H-adsorption patterns on macroscopic surfaces. Surface stress as function of hydrogen coverage is presented for surfaces randomly covered with hydrogen atoms and for surfaces in thermodynamic equilibrium." @default.
- W2028740240 created "2016-06-24" @default.
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- W2028740240 date "2005-09-30" @default.
- W2028740240 modified "2023-09-27" @default.
- W2028740240 title "Surface stress of partially H-covered Si(001) surfaces" @default.
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- W2028740240 doi "https://doi.org/10.1103/physrevb.72.125351" @default.
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