Two-dimensional <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>t</mml:mi><mml:mo>−</mml:mo><mml:msup><mml:mi>t</mml:mi><mml:mo>′</mml:mo></mml:msup></mml:math> Holstein model
Maykon V. Araújo, J.P. de Lima, Sandro Sorella, Natanael C. Costa
Abstract
The competition and interplay between charge-density wave and superconductivity have become a central subject for quasi-two-dimensional compounds. Some of these materials, such as the transition-metal dichalcogenides, exhibit strong electron-phonon coupling, an interaction that may favor both phases, depending on the external parameters, such as hydrostatic pressure. In view of this, here we analyze the single-band $t\text{\ensuremath{-}}{t}^{\ensuremath{'}}$ Holstein model in the square lattice, adding a next-nearest neighbor hopping ${t}^{\ensuremath{'}}$ in order to play the role of the external pressure. To this end, we perform unbiased quantum Monte Carlo simulations with an efficient inversion sampling technique appropriately devised for this model. Such a methodology drastically reduces the autocorrelation time and increases the efficiency of the Monte Carlo approach. By investigating the charge-charge correlation functions, we obtain the behavior of the critical temperature as a function of ${t}^{\ensuremath{'}}$ and, from compressibility analysis, we show that a first-order metal-to-insulator phase transition occurs. We also provide a low-temperature phase diagram for the model.