Inelastic quantum transport in superlattices: success and failure of the Boltzmann equation

Electrical transport in semiconductor superlattices is studied within a fully self-consistent quantum transport model based on nonequilibrium Green functions, including phonon and impurity scattering. We compute both the drift velocity-field relation and the momentum distribution function covering the whole field range from linear response to negative differential conductivity. The quantum results are compared with the respective results obtained from a Monte Carlo solution of the Boltzmann equation. Our analysis thus sets the limits of validity for the semiclassical theory in a nonlinear transport situation in the presence of inelastic scattering.Comment: final version with minor changes, to appear in Physical Review Letters, sceduled tentatively for July, 26 (1999

ab initio Electronic Transport Model with Explicit Solution to the Linearized Boltzmann Transport Equation

Accurate models of carrier transport are essential for describing the electronic properties of semiconductor materials. To the best of our knowledge, the current models following the framework of the Boltzmann transport equation (BTE) either rely heavily on experimental data (i.e., semi-empirical), or utilize simplifying assumptions, such as the constant relaxation time approximation (BTE-cRTA). While these models offer valuable physical insights and accurate calculations of transport properties in some cases, they often lack sufficient accuracy -- particularly in capturing the correct trends with temperature and carrier concentration. We present here a general transport model for calculating low-field electrical drift mobility and Seebeck coefficient of n-type semiconductors, by explicitly considering all relevant physical phenomena (i.e. elastic and inelastic scattering mechanisms). We first rewrite expressions for the rates of elastic scattering mechanisms, in terms of ab initio properties, such as the band structure, density of states, and polar optical phonon frequency. We then solve the linear BTE to obtain the perturbation to the electron distribution -- resulting from the dominant scattering mechanisms -- and use this to calculate the overall mobility and Seebeck coefficient. Using our model, we accurately calculate electrical transport properties of the compound n-type semiconductors, GaAs and InN, over various ranges of temperature and carrier concentration. Our fully predictive model provides high accuracy when compared to experimental measurements on both GaAs and InN, and vastly outperforms both semi-empirical models and the BTE-cRTA. Therefore, we assert that this approach represents a first step towards a fully ab initio carrier transport model that is valid in all compound semiconductors

Transport of strong-coupling polarons in optical lattices

We study the transport of ultracold impurity atoms immersed in a Bose-Einstein condensate (BEC) and trapped in a tight optical lattice. Within the strong-coupling regime, we derive an extended Hubbard model describing the dynamics of the impurities in terms of polarons, i.e. impurities dressed by a coherent state of Bogoliubov phonons. Using a generalized master equation based on this microscopic model we show that inelastic and dissipative phonon scattering results in (i) a crossover from coherent to incoherent transport of impurities with increasing BEC temperature and (ii) the emergence of a net atomic current across a tilted optical lattice. The dependence of the atomic current on the lattice tilt changes from ohmic conductance to negative differential conductance within an experimentally accessible parameter regime. This transition is accurately described by an Esaki-Tsu-type relation with the effective relaxation time of the impurities as a temperature-dependent parameter.Comment: 25 pages, 6 figure

Microscopic nonequilibrium theory of double-barrier Josephson junctions

We study nonequilibrium charge transport in a double-barrier Josephson junction, including nonstationary phenomena, using the time-dependent quasiclassical Keldysh Green's function formalism. We supplement the kinetic equations by appropriate time-dependent boundary conditions and solve the time-dependent problem in a number of regimes. From the solutions, current-voltage characteristics are derived. It is understood why the quasiparticle current can show excess current as well as deficit current and how the subgap conductance behaves as function of junction parameters. A time-dependent nonequilibrium contribution to the distribution function is found to cause a non-zero averaged supercurrent even in the presence of an applied voltage. Energy relaxation due to inelastic scattering in the interlayer has a prominent role in determining the transport properties of double-barrier junctions. Actual inelastic scattering parameters are derived from experiments. It is shown as an application of the microscopic model, how the nature of the intrinsic shunt in double-barrier junctions can be explained in terms of energy relaxation and the opening of Andreev channels.Comment: Accepted for Phys. Rev.

Comparison of inelastic and quasi-elastic scattering effects on nonlinear electron transport in quantum wires

When impurity and phonon scattering coexist, the Boltzmann equation has been solved accurately for nonlinear electron transport in a quantum wire. Based on the calculated non-equilibrium distribution of electrons in momentum space, the scattering effects on both the non-differential (for a fixed dc field) and differential (for a fixed temperature) mobilities of electrons as functions of temperature and dc field were demonstrated. The non-differential mobility of electrons is switched from a linearly increasing function of temperature to a parabolic-like temperature dependence as the quantum wire is tuned from an impurity-dominated system to a phonon-dominated one [see T. Fang, {\em et al.}, \prb {\bf 78}, 205403 (2008)]. In addition, a maximum has been obtained in the dc-field dependence of the differential mobility of electrons. The low-field differential mobility is dominated by the impurity scattering, whereas the high-field differential mobility is limited by the phonon scattering [see M. Hauser, {\em et al.}, Semicond. Sci. Technol. {\bf 9}, 951 (1994)]. Once a quantum wire is dominated by quasi-elastic scattering, the peak of the momentum-space distribution function becomes sharpened and both tails of the equilibrium electron distribution centered at the Fermi edges are raised by the dc field after a redistribution of the electrons is fulfilled in a symmetric way in the low-field regime. If a quantum wire is dominated by inelastic scattering, on the other hand, the peak of the momentum-space distribution function is unchanged while both shoulders centered at the Fermi edges shift leftward correspondingly with increasing dc field through an asymmetric redistribution of the electrons even in low-field regime [see C. Wirner, {\em et al.}, \prl {\bf 70}, 2609 (1993)]

Conductivity of graphene with resonant and non-resonant adsorbates

We propose a unified description of transport in graphene with adsorbates that fully takes into account localization effects and loss of electronic coherence due to inelastic processes. We focus in particular on the role of the scattering properties of the adsorbates and analyze in detail cases with resonant or non resonant scattering. For both models we identify several regimes of conduction depending on the value of the Fermi energy. Sufficiently far from the Dirac energy and at sufficiently small concentrations the semi-classical theory can be a good approximation. Near the Dirac energy we identify different quantum regimes, where the conductivity presents universal behaviors.Comment: 6 page