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Register a new userEffect of Strain on Charge Density Wave Order in the Holstein Model
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Benjamin Cohen-Stead
Publication date
2019
fields
Physics
and research's language is
English
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We investigate charge ordering in the Holstein model in the presence of anisotropic hopping, $t_x, t_y=1-delta, 1 + delta$, as a model of the effect of strain on charge density wave (CDW) materials. Using Quantum Monte Carlo simulations, we show that the CDW transition temperature is relatively insensitive to moderate anisotropy $delta lesssim 0.3$, but begins to decrease more rapidly at $delta gtrsim 0.4$. However, the density correlations, as well as the kinetic energies parallel and perpendicular to the compressional axis, change significantly for moderate $delta$. Accompanying mean-field theory calculations show a similar qualitative structure, with the transition temperature relatively constant at small $delta$ and a more rapid decrease for larger strains. We also obtain the density of states $N(omega)$, which provides clear signal of the charge ordering transition at large strain, where finite size scaling of the charge structure factor is extremely difficult because of the small value of the order parameter.
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The Holstein Hamiltonian describes fermions hopping on a lattice and interacting locally with dispersionless phonon degrees of freedom. In the low density limit, dressed quasiparticles, polarons and bipolarons, propagate with an effective mass. At higher densities, pairs can condense into a low temperature superconducting phase and, at or near commensurate filling on a bipartite lattice, to charge density wave (CDW) order. CDW formation breaks a discrete symmetry and hence occurs via a second order (Ising) transition, and therefore at a finite $T_{rm cdw}$ in two dimensions. Quantum Monte Carlo calculations have determined $T_{rm cdw}$ for a variety of geometries, including square, honeycomb, and Lieb lattices. The superconducting transition, on the other hand, in $d=2$ is in the Kosterlitz-Thouless (KT) universality class, and is much less well characterized. In this paper we determine $T_{rm sc}$ for the square lattice, for several values of the density $rho$ and phonon frequency $omega_0$. We find that quasi-long range order sets in at $T_{rm sc} lesssim t/20$, where $t$ is the near neighbor hopping amplitude, consistent with previous rough estimates from simulations which only extrapolated to the temperatures we reach from considerably higher $T$. We also show evidence for a discontinuous evolution of the density as the CDW transition is approached at half-filling.
The interplay between electron-electron correlations and disorder has been a central theme of condensed matter physics over the last several decades, with particular interest in the possibility that interactions might cause delocalization of an Anderson insulator into a metallic state, and the disrupting effects of randomness on magnetic order and the Mott phase. Here we extend this physics to explore electron-phonon interactions and show, via exact quantum Monte Carlo simulations, that the suppression of the charge density wave correlations in the half-filled Holstein model by disorder can stabilize a superconducting phase. Our simulations thus capture qualitatively the suppression of charge ordered phases and emergent superconductivity recently seen experimentally.
We study the Holstein model of spinless fermions, which at half-filling exhibits a quantum phase transition from a metallic Tomonaga-Luttinger liquid phase to an insulating charge-density-wave (CDW) phase at a critical electron-phonon coupling strength. In our work, we focus on the real-time evolution starting from two different types of initial states that are CDW ordered: (i) ideal CDW states with and without additional phonons in the system and (ii) correlated ground states in the CDW phase. We identify the mechanism for CDW melting in the ensuing real-time dynamics and show that it strongly depends on the type of initial state. We focus on the far-from-equilibrium regime and emphasize the role of electron-phonon coupling rather than dominant electronic correlations, thus complementing a previous study of photo-induced CDW melting [H. Hashimoto and S. Ishihara, Phys. Rev. B 96, 035154 (2017)]. The numerical simulations are performed by means of matrix-product-state based methods with a local basis optimization (LBO). Within these techniques, one rotates the local (bosonic) Hilbert spaces adaptively into an optimized basis that can then be truncated while still maintaining a high precision. In this work, we extend the time-evolving block decimation (TEBD) algorithm with LBO, previously applied to single-polaron dynamics, to a half-filled system. We demonstrate that in some parameter regimes, a conventional TEBD method without LBO would fail. Furthermore, we introduce and use a ground-state density-matrix renormalization group method for electron-phonon systems using local basis optimization. In our examples, we account for up to $M_{rm ph} = 40$ bare phonons per site by working with $O(10)$ optimal phonon modes.
The effect of electron-electron interactions on Dirac fermions, and the possibility of an intervening spin liquid phase between the semi-metal and antiferromagnetic (AF) regimes, has been a focus of intense quantum simulation effort over the last five years. We use determinant quantum Monte Carlo (DQMC) to study the Holstein model on a Honeycomb lattice and explore the role of electron-phonon interactions on Dirac fermions. We show that they give rise to charge density wave (CDW) order, and present evidence that this occurs only above a finite critical interaction strength. We evaluate the temperature for the transition into the CDW which, unlike the AF transition, can occur at finite values owing to the discrete nature of the broken symmetry.
We use an unbiased, continuous-time quantum Monte Carlo method to address the possibility of a zero-temperature phase without charge-density-wave (CDW) order in the Holstein and, by extension, the Holstein-Hubbard model on the half-filled square lattice. In particular, we present results spanning the whole range of phonon frequencies, allowing us to use the well understood adiabatic and antiadiabatic limits as reference points. For all parameters considered, our data suggest that CDW correlations are stronger than pairing correlations even at very low temperatures. These findings are compatible with a CDW ground state that is also suggested by theoretical arguments.
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