Complete catalog of ground-state diagrams for the general three-state lattice-gas model with nearest-neighbor interactions on a square lattice

Abstract

The ground states of the general three-state lattice-gas (equivalently, S = 1 Ising) model with nearest-neighbor interactions on a square lattice are explored in the full, five-dimensional parameter space of three interaction constants and two generalized chemical potentials or fields. The resulting, complete catalog of fifteen topologically different ground-state diagrams (zero-temperature phase diagrams) is discussed in both lattice-gas and Ising-spin language. The results extend those of a recent study in a reduced parameter space [V. F. Fefelov, et al., Phys. Chem. Chem. Phys., 2018, 20, 10359-10368], which identified six different ground-state diagrams. arXiv:1903.07491v1 [cond-mat.stat-mech]

SuSMoST: Surface Science Modeling and Simulation Toolkit

“…There are lattice models of various degrees of abstraction: Langmuir adsorption model, hard disks, [6,7] dimers, [8][9][10][11] k-mers, [12,13] binary gasses, [14][15][16][17][18] molecules of various symmetry, [19][20][21][22][23] tricarboxylic [24][25][26][27] acids, porphyrins, [28] monoatomic adsobates, [29,30] and so forth. [31,32] In spite of numerous successful applications of lattice models, this kind of simulation is still not a daily tool for surface science researchers.…”

“…Yet the model is no less able to describe and investigate multilayer adsorption and magnetic systems. [17,18] Further in the Model section we describe mathematical model of adsorption that is used by SuSMoST. In the Model Analysis and Simulation section we describe tools for investigation of thermodynamic properties of lattice models and adsorption systems they simulate.…”

“…Therefore, the lattice with the set of possible site states constitutes the model of the adsorption system. There are lattice models of various degrees of abstraction: Langmuir adsorption model, hard disks, [ 6,7 ] dimers, [ 8–11 ] k ‐mers, [ 12,13 ] binary gasses, [ 14–18 ] molecules of various symmetry, [ 19–23 ] tricarboxylic [ 24–27 ] acids, porphyrins, [ 28 ] monoatomic adsobates, [ 29,30 ] and so forth. [ 31,32 ]…”

“…Yet the model is no less able to describe and investigate multilayer adsorption and magnetic systems. [ 17,18 ]…”

SuSMoST: Surface Science Modeling and Simulation Toolkit

“…Therefore, the lattice with the set of possible site states constitute the model of the adsorption system. There are lattice models of various degrees of abstraction: Langmuir adsorption model, hard disks, 4,5 dimers, [6][7][8][9] k -mers, 10,11 binary gasses, [12][13][14][15][16] molecules of various symmetry, 17-20 tricarboxylic [21][22][23][24] acids, porphyrins, 25 etc. 26,27 In spite of numerous successful applications of lattice models, this kind of simulations is still not a daily tool for surface science researchers.…”