Gain in quantum cascade lasers and superlattices: A quantum transport theory

Gain in current-driven semiconductor heterostructure devices is calculated within the theory of nonequilibrium Green functions. In order to treat the nonequilibrium distribution self-consistently the full two-time structure of the theory is employed without relying on any sort of Kadanoff-Baym Ansatz. The results are independent of the choice of the electromagnetic field if the variation of the self-energy is taken into account. Excellent quantitative agreement is obtained with the experimental gain spectrum of a quantum cascade laser. Calculations for semiconductor superlattices show that the simple 2-time miniband transport model gives reliable results for large miniband widths at room temperatureComment: 8 Pages, 4 Figures directly included, to appear in Physical Review

Tunneling through nanosystems: Combining broadening with many-particle states

We suggest a new approach for transport through finite systems based on the Liouville equation. By working in a basis of many-particle states for the finite system, Coulomb interactions are taken fully into account and correlated transitions by up to two different contact states are included. This latter extends standard rate equation models by including level-broadening effects. The main result of the paper is a general expression for the elements of the density matrix of the finite size system, which can be applied whenever the eigenstates and the couplings to the leads are known. The approach works for arbitrary bias and for temperatures above the Kondo temperature. We apply the approach to standard models and good agreement with other methods in their respective regime of validity is found.Comment: 9 pages, 5 figures included to tex

Theory of Transmission through disordered superlattices

We derive a theory for transmission through disordered finite superlattices in which the interface roughness scattering is treated by disorder averaging. This procedure permits efficient calculation of the transmission thr ough samples with large cross-sections. These calculations can be performed utilizing either the Keldysh or the Landauer-B\"uttiker transmission formalisms, both of which yield identical equations. For energies close to the lowest miniband, we demonstrate the accuracy of the computationally efficient Wannier-function approximation. Our calculations indicate that the transmission is strongly affected by interface roughness and that information about scale and size of the imperfections can be obtained from transmission data.Comment: 12 pages, 6 Figures included into the text. Final version with minor changes. Accepted by Physical Review

A hybrid model for chaotic front dynamics: From semiconductors to water tanks

We present a general method for studying front propagation in nonlinear systems with a global constraint in the language of hybrid tank models. The method is illustrated in the case of semiconductor superlattices, where the dynamics of the electron accumulation and depletion fronts shows complex spatio-temporal patterns, including chaos. We show that this behavior may be elegantly explained by a tank model, for which analytical results on the emergence of chaos are available. In particular, for the case of three tanks the bifurcation scenario is characterized by a modified version of the one-dimensional iterated tent-map.Comment: 4 pages, 4 figure

Quantum-mechanical wavepacket transport in quantum cascade laser structures

We present a viewpoint of the transport process in quantum cascade laser structures in which spatial transport of charge through the structure is a property of coherent quantum-mechanical wavefunctions. In contrast, scattering processes redistribute particles in energy and momentum but do not directly cause spatial motion of charge.Comment: 6 pages, 5 figures included in tex, to appear in Physical Review

Current-voltage characteristic and stability in resonant-tunneling n-doped semiconductor superlattices

We review the occurrence of electric-field domains in doped superlattices within a discrete drift model. A complete analysis of the construction and stability of stationary field profiles having two domains is carried out. As a consequence, we can provide a simple analytical estimation for the doping density above which stable stable domains occur. This bound may be useful for the design of superlattices exhibiting self-sustained current oscillations. Furthermore we explain why stable domains occur in superlattices in contrast to the usual Gunn diode.Comment: Tex file and 3 postscript figure

Influence of interface roughness in quantum cascade lasers

We use a numerical model based on non-equilibrium Green's functions to investigate the influence of interface roughness (IFR) scattering in terahertz quantum cascade lasers. We confirm that IFR is an important phenomenon that affects both current and gain. The simulations indicate that IFR causes a leakage current that transfers electrons from the upper to the lower laser state. In certain cases, this current can greatly reduce gain. In addition, individual interfaces and their impact on the renormalized single particle energies are studied and shown to give both blue-and red-shifts of the gain spectrum. (C) 2015 AIP Publishing LLC

Sequential tunneling in doped superlattices: Fingerprints of impurity bands and photon-assisted tunneling

We report a combined theoretical and experimental study of electrical transport in weakly coupled doped superlattices. Our calculations exhibit negative differential conductivity at sufficiently high electric fields for all dopings. In low-doped samples the presence of impurity bands modifies the current-voltage characteristics substantially, and we find two different current peaks whose relative height changes with the electron temperature. These findings can explain the observation of different peaks in the current-voltage characteristics with and without external THz irradiation in low-doped samples. From our microscopic transport model we obtain quantitative agreement with the experimental current-voltage characteristics without using any fitting parameters. Both our experimental data and our theory show that absolute negative conductance persists over a wide range of frequencies of the free-electron laser source

Center of mass and relative motion in time dependent density functional theory

It is shown that the exchange-correlation part of the action functional $A_{xc}[\rho (\vec r,t)]$ in time-dependent density functional theory , where $\rho (\vec r,t)$ is the time-dependent density, is invariant under the transformation to an accelerated frame of reference $\rho (\vec r,t) \to \rho ' (\vec r,t) = \rho (\vec r + \vec x (t),t)$, where $\vec x (t)$ is an arbitrary function of time. This invariance implies that the exchange-correlation potential in the Kohn-Sham equation transforms in the following manner: $V_{xc}[\rho '; \vec r, t] = V_{xc}[\rho; \vec r + \vec x (t),t]$. Some of the approximate formulas that have been proposed for $V_{xc}$ satisfy this exact transformation property, others do not. Those which transform in the correct manner automatically satisfy the ``harmonic potential theorem", i.e. the separation of the center of mass motion for a system of interacting particles in the presence of a harmonic external potential. A general method to generate functionals which possess the correct symmetry is proposed