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Register a new userNonequilibrium dynamical mean-field theory for the charge-density-wave phase of the Falicov-Kimball model
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Added by
Oleg Matveev Petrovych
Publication date
2015
fields
Physics
and research's language is
English
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Nonequilibrium dynamical mean-field theory (DMFT) is developed for the case of the charge-density-wave ordered phase. We consider the spinless Falicov-Kimball model which can be solved exactly. This strongly correlated system is then placed in an uniform external dc electric field. We present a complete derivation for nonequilibrium dynamical mean-field theory Greens functions defined on the Keldysh-Schwinger time contour. We also discuss numerical issues involved in solving the coupled equations.
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We study the spectral properties of charge density wave (CDW) phase of the half-filled spinless Falicov-Kimball model within the framework of the Dynamical Mean Field Theory. We present detailed results for the spectral function in the CDW phase as function of temperature and $U$. We show how the proximity of the non-fermi liquid phase affects the CDW phase, and show that there is a region in the phase diagram where we get a CDW phase without a gap in the spectral function. This is a radical deviation from the mean-field prediction where the gap is proportional to the order parameter.
We propose a new, controlled approximation scheme that explicitly includes the effects of non-local correlations on the $D=infty$ solution. In contrast to usual $D=infty$, the selfenergy is selfconsistently coupled to two-particle correlation functions. The formalism is general, and is applied to the two-dimensional Falicov-Kimball model. Our approach possesses all the strengths of the large-D solution, and allows one to undertake a systematic study of the effects of inclusion of k-dependent effects on the $D=infty$ picture. Results for the density of states $rho(omega)$, and the single particle spectral density for the 2D Falicov-Kimball model always yield positive definite $rho(omega)$, and the spectral function shows striking new features inaccessible in $D=infty$. Our results are in good agreement with the exact results known on the 2D Falikov-Kimball model.
We study the electron-hole pair (or excitonic) condensation in the extended Falicov-Kimball model at finite temperatures based on the cluster mean-field-theory approach, where we make the grand canonical exact-diagonalization analysis of small clusters using the sine-square deformation function. We thus calculate the ground-state and finite-temperature phase diagrams of the model, as well as its optical conductivity and single-particle spectra, thereby clarifying how the preformed pair states appear in the strong-coupling regime of excitonic insulators. We compare our results with experiment on Ta$_2$NiSe$_5$.
We investigate the quantum mechanical origin of resistive phase transitions in solids driven by a constant electric field in the vicinity of a metal-insulator transition. We perform a nonequilibrium mean-field analysis of a driven-dissipative anti-ferromagnet, which we solve analytically for the most part. We find that the insulator-to-metal transition (IMT) and the metal-to-insulator transition (MIT) proceed by two distinct electronic mechanisms: Landau-Zener processes, and the destabilization of metallic state by Joule heating, respectively. However, we show that both regimes can be unified in a common effective thermal description, where the effective temperature $T_{rm eff}$ depends on the state of the system. This explains recent experimental measurements in which the hot-electron temperature at the IMT was found to match the equilibrium transition temperature. Our analytic approach enables us to formulate testable predictions on the non-analytic behavior of $I$-$V$ relation near the insulator-to-metal transition. Building on these successes, we propose an effective Ginzburg-Landau theory which paves the way to incorporating spatial fluctuations, and to bringing the theory closer to a realistic description of the resistive switchings in correlated materials.
We derive an exact mapping from the action of nonequilibrium dynamical mean-field theory (DMFT) to a single-impurity Anderson model (SIAM) with time-dependent parameters, which can be solved numerically by exact diagonalization. The representability of the nonequilibrium DMFT action by a SIAM is established as a rather general property of nonequilibrium Green functions. We also obtain the nonequilibrium DMFT equations using the cavity method alone. We show how to numerically obtain the SIAM parameters using Cholesky or eigenvector matrix decompositions. As an application, we use a Krylov-based time propagation method to investigate the Hubbard model in which the hopping is switched on, starting from the atomic limit. Possible future developments are discussed.
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