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- W2079668675 abstract "Tight-binding molecular dynamics simulations have been performed for the Si(100) surface, with parameters fitted to first-principles calculations for a variety of surface geometries. The simulations yield a value J=-15meV for the dimer-dimer coupling constant along a row, and an upper limit of |J′|=5meV for the coupling across rows. These values, which differ from those of a previous study, give a two-dimensional Ising-model phase transition below 300 K, in agreement with LEED and low-temperature STM studies." @default.
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- W2079668675 title "(2x1)→c(4x2) transition at the Si(100) surface: a first-principles-based Monte Carlo study" @default.
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- W2079668675 doi "https://doi.org/10.1016/0921-4526(94)90520-7" @default.
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