The extended Ising model Hamiltonian for order-disorder phase transition on the clean Si (001) surface

Kutlu B., Celebi H.

SURFACE SCIENCE, vol.726, 2022 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 726
  • Publication Date: 2022
  • Doi Number: 10.1016/j.susc.2022.122163
  • Journal Name: SURFACE SCIENCE
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, PASCAL, Aerospace Database, Chemical Abstracts Core, Communication Abstracts, INSPEC, Metadex, Civil Engineering Abstracts
  • Keywords: Si(001) surface, Phase transition, Ising model, Cellular automaton, SI(001) SURFACE, CRITICAL EXPONENTS, DYNAMICS, DIMERS, ENERGY
  • Gazi University Affiliated: Yes

Abstract

We investigated the order-disorder phase transitions with the four spin interacting Ising model Hamiltonian, which was obtained using first principle calculation results for the Si(100) surface. This is the first proposed effective spin Hamiltonian for dimer configurations. However, the four spin interacting Hamiltonian has not been established to date. All simulations were performed using the cellular automaton algorithm adapted for this Hamiltonian. As a result of the simulations made for three different parameter sets, the order-disorder phase transition temperature on the clean Si(001) surface was obtained on average at 203 +/- 4 K, which is consistent with the experimental results.