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Register a new userElectron and phonon correlations in systems of one-dimensional electrons coupled to phonons
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Leiming Chen
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Electron and phonon correlations in systems of one-dimensional electrons coupled to phonons are studied at low temperatures by emphasizing on the effect of electron-phonon backward scattering. It is found that the $2k_F$-wave components of the electron density and phonon displacement field share the same correlations. Both correlations are quasi-long-ranged for a single conducting chain coupled to one-dimensional or three-dimensional phonons, and they are long-ranged for repulsive electron-electron interactions for a three-dimensional array of parallel one-dimensional conducting chains coupled to three-dimensional phonons.
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We investigate the scattering of an electron by phonons in a small structure between two one-dimensional tight-binding leads. This model mimics the quantum electron transport through atomic wires or molecular junctions coupled to metallic leads. The electron-phonon coupled structure is represented by the Holstein model. We observe permanent energy transfer from the electron to the phonon system (dissipation), transient self-trapping of the electron in the electron-phonon coupled structure (due to polaron formation and multiple reflections at the structure edges), and transmission resonances that depend strongly on the strength of the electron-phonon coupling and the adiabaticity ratio. A recently developed TEBD algorithm, optimized for bosonic degrees of freedom, is used to simulate the quantum dynamics of a wave packet launched against the electron-phonon coupled structure. Exact results are calculated for a single electron-phonon site using scattering theory and analytical approximations are obtained for limiting cases.
We consider an electron gas, both in two (2D) and three (3D) dimensions, interacting with quenched impurities and phonons within leading order finite-temperature many body perturbation theories, calculating the electron self-energies, spectral functions, and momentum distribution functions at finite temperatures. The resultant spectral function is in general highly non-Lorentzian, indicating that the system is not a Fermi liquid in the usual sense. The calculated momentum distribution function cannot be approximated by a Fermi function at any temperature, providing a rather simple example of a non-Fermi liquid with well-understood properties.
We present an extension of constrained-path auxiliary-field quantum Monte Carlo (CP-AFQMC) for the treatment of correlated electronic systems coupled to phonons. The algorithm follows the standard CP-AFQMC approach for description of the electronic degrees of freedom while phonons are described in first quantization and propagated via a diffusion Monte Carlo approach. Our method is tested on the one- and two-dimensional Holstein and Hubbard-Holstein models. With a simple semiclassical trial wavefunction, our approach is remarkably accurate for $omega/(2text{d}tlambda) < 1$ for all parameters in the Holstein model considered in this study. In addition, we empirically show that the autocorrelation time scales as $1/omega$ for $omega/t lesssim 1$, which is an improvement over the $1/omega^2$ scaling of the conventional determinant quantum Monte Carlo algorithm. In the Hubbard-Holstein model, the accuracy of our algorithm is found to be consistent with that of standard CP-AFQMC for the Hubbard model when the Hubbard $U$ term dominates the physics of the model, and is nearly exact when the ground state is dominated by the electron-phonon coupling scale $lambda$. The approach developed in this work should be valuable for understanding the complex physics arising from the interplay between electrons and phonons in both model lattice problems and ab-initio systems.
The Hubbard-Holstein model describes fermions on a discrete lattice, with on-site repulsion between fermions and a coupling to phonons that are localized on sites. Generally, at half-filling, increasing the coupling $g$ to the phonons drives the system towards a Peierls charge density wave state whereas increasing the electron-electron interaction $U$ drives the fermions into a Mott antiferromagnet. At low $g$ and $U$, or when doped, the system is metallic. In one-dimension, using quantum Monte Carlo simulations, we study the case where fermions have a long range coupling to phonons, with characteristic range $xi$, interpolating between the Holstein and Frohlich limits. Without electron-electron interaction, the fermions adopt a Peierls state when the coupling to the phonons is strong enough. This state is destabilized by a small coupling range $xi$, and leads to a collapse of the fermions, and, consequently, phase separation. Increasing interaction $U$ will drive any of these three phases (metallic, Peierls, phase separation) into a Mott insulator phase. The phase separation region is once again present in the $U e 0$ case, even for small values of the coupling range.
One-dimensional (1D) electron-hole (e-h) systems in a high-density regime is investigated by means of bozonization techniques. It turned out that the systems are insulating even at the high density limit and that the exciton Mott transition (insulator-to-metal transition) never occurs at absolute zero temperature. The insulating ground state exhibits a strong instability towards the crystallization of biexcitons.
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