(2X1)-]C(4X2) TRANSITION AT THE SI(100) SURFACE - A 1ST-PRINCIPLES-BASED MONTE-CARLO STUDY Conference Paper

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=-15 meV for the dimer-dimer coupling constant along a row, and an upper limit of |J|=5 meV 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. 1994.

authors

• Allen, Roland

published proceedings

• PHYSICA B

author list (cited authors)

• GRYKO, J., & ALLEN, R. E.

citation count

• 2

complete list of authors

• GRYKO, J||ALLEN, RE

publication date

• February 1994

publisher

• Elsevier  Publisher

published in

• Physica B: Condensed Matter  Journal

Digital Object Identifier (DOI)

• 10.1016/0921-4526(94)90520-7

start page

• 381

end page

• 382

volume

• 194

issue

• PART 1

URL

• http://dx.doi.org/10.1016/0921-4526(94)90520-7