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- W2079077089 abstract "Molecular dynamics simulations and first-principles total-energy calculations were carried out to investigate the behavior of nanolayered (111) twinned silicon structures under uniaxial compression. The diamondlike silicon structure inside the thin $(<3text{ }text{nm})$ twin layers was found to transform to the orthorhombic structure (space group $Fmmm$) at $ensuremath{sim}25text{ }text{GPa}$ under uniaxial compression and to the tetragonal structure (space group $I4/mmm$) upon decompression. The first structural transformation is a first-order phase transition and the new structure is characterized by an increased failure stress above 37 GPa. First-principles pseudopotential calculations confirmed the formation of the tetragonal phase and showed that both the orthorhombic and tetragonal phases would possess metal properties." @default.
- W2079077089 created "2016-06-24" @default.
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- W2079077089 date "2010-05-20" @default.
- W2079077089 modified "2023-09-25" @default.
- W2079077089 title "Phase transition in twinned nanolayered silicon structures under uniaxial compression: Molecular dynamics simulations and first-principles total-energy calculations" @default.
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- W2079077089 doi "https://doi.org/10.1103/physrevb.81.195213" @default.
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