Abstract

The extended Hubbard model in the atomic limit, which is equivalent to lattice S=1/2 fermionic gas, is considered on the triangular lattice. The model includes onsite Hubbard U interaction and both nearest-neighbor (W1) and next-nearest-neighbor (W2) density–density intersite interactions. The variational approach treating the U term exactly and the Wl terms in the mean-field approximation is used to investigate thermodynamics of the model and to find its finite temperature (T>0) phase diagrams (as a function of particle concentration) for W1>0 and W2<0. Two different types of charge-order (i.e., DCO and TCO phases) within 3×3 unit cells as well as the nonordered (NO) phase occur on the diagram. Moreover, several kinds of phase-separated (PS) states (NO/DCO, DCO/DCO, DCO/TCO, and TCO/TCO) are found to be stable for fixed concentration. Attractive W2<0 stabilizes PS states at T=0 and it extends the regions of their occurrence at T>0. The evolution of the diagrams with increasing of |W2|/W1 is investigated. It is found that some of the PS states are stable only at T>0. Two different critical values of |W2|/W1 are determined for the PS states, in which two ordered phases of the same type (i.e., two domains of the DCO or TCO phase) coexist.

Highlights

  • The classical lattice gas model is useful effective model for description of adsorbed particles on crystalline substrates

  • In the case of a graphine surface or a single layer of graphene as well as (111) face-centered cubic surface, the periodic potential of the underlying crystal surface forms a triangular lattice, which can be occupied by adsorbed atoms, e.g., [8,9,10,11,12]

  • Particular attention is taken for effects of the next-nearest-neighbor attraction on the phase diagrams at finite temperatures

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Summary

INTRODUCTION

At Tc∗1 the discontinuous change of concentration in the DCO phase domain of the PS1 state occurs This behavior is associated with a new first-order DCO-DCO boundary inside the DCO region [ending at a bicritical-end ( called as isolated-critical) point, cf [22, 24, 25, 37]], which is present on the diagram for fixed μ.

CONCLUSIONS
Declaration of competing interest
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