Monte Carlo simulations are used to study the location and nature of phase boundaries for Ising square lattices with antiferromagnetic coupling
JNN between nearest neighbors and additional interactions
JNNN between next-nearest neighbors and
J3NN between third-nearest neighbors. Results in zero magnetic field are obtained for a wide range of R=
JNNN/JNN and R'=
J3NN/JNN. In addition to the c(2\ifmmode\times\else\texttimes\fi{}2) and (2\ifmmode\times\else\texttimes\fi{}1) phases, which also occur for R'=0, we find new (4\ifmmode\times\else\texttimes\fi{}4) and (4\ifmmode\times\else\texttimes\fi{}2) ordered states, for R'\ensuremath{\ne}0, which are separated from the disordered state by lines of first-order transitions. The nonuniversal critical behavior of the (2\ifmmode\times\else\texttimes\fi{}1) phase is studied using the block-distribution method and finite-size scaling. The possible existence of incommensurate phases is also explored.
The phase diagrams of Ising antiferromagnets in a magnetic field
H are investigated for various values of the ratio
R between nearest- and next-nearest-neighbor interaction. While meanfield approximations and the existing real-space renormalization-group treatments yield phase diagrams which are sometimes even qualitatively incorrect, accurate results are obtained from Monte Carlo calculations. For
R<0 only an antiferromagnetically ordered phase exists. Its transition to the disordered phase is first order for temperatures below the tricritical point (
Tt,
Ht). For $R\ensuremath{\rightarrow}0$ also ${T}_{t}\ensuremath{\rightarrow}0$. For
R=0 we find very good agreement with the results of M\"uller-Hartmann and Zittartz. For
R>0 and
H1<H<H2 a new phase with anomalous high ground-state degeneracy is found (two sublattices have only one-dimensional order). These sublattices undergo order-disorder transitions at
T=0, such that for
T>0 one is left with a "superantiferromagnetic" phase. At low temperatures in this phase a pronounced tendency is observed to form a simpler (2 \ifmmode\times\else\texttimes\fi{} 2) superstructure but with many antiphase domain boundaries. For $R\ensuremath{\rightarrow}\frac{1}{2}$ and
H<H1 the regime of the antiferromagnetic phases goes to zero temperature, while for
R>21 the superantiferromagnetic phase exists also for
H<H1. The order-disorder transition associated with this phase seems to have non-Ising critical exponents which vary as a function of
R and
H. Estimates for the exponents lead us to suggest that Suzuki's "weak universality" is valid. The behavior of the model at
T=0 is related to known results on hard-core lattice gases. It is shown that it is useful to interpret the transitions at
T=0 as generalized percolation transitions. Since the model may have applications to adsorbate phases in registered structures at (100) surfaces of cubic crystals, the transcription of our results to temperature-coverage phase diagrams and adsorption isotherms is discussed in detail, and possible experimental applications are mentioned.
The critical properties of an antiferromagnetic Ising model on a square lattice with interactions of the next-to-nearest neighbors are investigated by a replica Monte-Carlo method. Using the finite-size scaling theory the static critical exponents of specific heat, ordering parameter, susceptibility, correlation radius as well as the Fisher exponent are calculated. An analysis of data is performed both with and without taking into account a correction to the finite-size scaling. It was found that in the model under consideration the second order phase transition is observed. It is shown that this model belongs to the new class of universality of critical behavior.
The phase transitions in two-dimensional antiferromagnetic Ising model are studied on a square lattice by taking the interactions of next-nearest neighbors into account. The model is investigated on basis of the replica Monte Carlo algorithm and the histogrammic analysis of data. The diagram of the critical temperature dependence on an interaction value of next-nearest neighbors is plotted. The studied model reveals the phase transition of second order and the frustration points depending on relative interaction values and magnetic field. A effect, heat capacity splitting near the frustration points, is found.
The Ising model with nearest and next nearest neighbor antiferromagnetic interactions on the triangular lattice displays, for Jnnn/Jnn = 0.1, three phase transitions in different universality classes as the magnetic field is increased. We have studied this model using Monte Carlo and renormalization group techniques. The transition from the paramagnetic to the 2 × 1 phase (universality class of the Heisenberg model with cubic anisotropy) is found to be first order; the transition from the paramagnetic phase to the [Formula: see text] phase (universality class of the three state Potts model) is continuous; and the transition from the paramagnetic to the 2 × 2 phase (universality class of the four state Potts model) is found to change from first order to continuous as the field is increased. We have mapped out the phase diagram and determined the critical exponents for the continuous transitions. A novel technique, using a Landau-like free energy functional determined from Monte Carlo calculations, to distinguish between first order and continuous transitions, is described.