Order-disorder phase transition on the Si(001) surface: Critical role of dimer defects
- 15 May 1994
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 49 (20) , 14774-14777
- https://doi.org/10.1103/physrevb.49.14774
Abstract
There is some experimental evidence that the c(4×2) structure is the low-temperature phase of the Si(001) surface. The critical temperature for the order-disorder transition was experimentally determined as about 200 K. This structural phase transition was studied by using a two-dimensional Ising spin model whose interaction parameters were estimated by first-principles total-energy calculations. Monte Carlo simulations were then performed. The effects of dimer defects on the nature of the phase transition are discussed.Keywords
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