Solution of electric-field-driven tight-binding lattice in contact with fermion reservoir

Electrons in tight-binding lattice driven by DC electric field dissipate their energy through on-site fermionic thermostats. Due to the translational invariance in the transport direction, the problem can be block-diagonalized. We solve this time-dependent quadratic problem and demonstrate that the problem has an oscillatory steady-state. The steady-state occupation number shows that the Fermi surface disappears for any damping from the thermostats and any finite electric field. Despite the lack of momentum scattering, the conductivity takes the same form as the semi-classical Ohmic expression from the relaxation-time approximation.Comment: 5 pages, 4 figure

Nonequilibrium electron transport in strongly correlated molecular junctions

We investigate models of molecular junctions which constitute minimal Hamiltonians to account for zero-bias-anomaly and the satellite features of inelastic transport by molecular phonons. Through nonlinear transport calculations with the imaginary-time nonequilibrium formalism, a HOMO-LUMO model with Anderson-Holstein interaction is shown to produce co-tunneling conductance peak in the vicinity of Kondo resonance which is mediated by a re-emergent many-body resonance assisted by phonon excitations at bias equal to the phonon frequency. Destruction of the resonance leads to negative-differential-resistance in the sequential tunneling regime

Energy dissipation in DC-field driven electron lattice coupled to fermion baths

Electron transport in electric-field-driven tight-binding lattice coupled to fermion baths is comprehensively studied. We reformulate the problem by using the scattering state method within the Coulomb gauge. Calculations show that the formulation justifies direct access to the steady-state bypassing the time-transient calculations, which then makes the steady-state methods developed for quantum dot theories applicable to lattice models. We show that the effective temperature of the hot-electron induced by a DC electric field behaves as $T_{\rm eff}=C\gamma(\Omega/\Gamma)$ with a numerical constant $C$, tight-binding parameter $\gamma$, the Bloch oscillation frequency $\Omega$ and the damping parameter $\Gamma$. In the small damping limit $\Gamma/\Omega\to 0$, the steady-state has a singular property with the electron becoming extremely hot in an analogy to the short-circuit effect. This leads to the conclusion that the dissipation mechanism cannot be considered as an implicit process, as treated in equilibrium theories. Finally, using the energy flux relation, we derive a steady-state current for interacting models where only on-site Green's functions are necessary.Comment: 11 pages, 5 figure

Deep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics

We introduce a scheme for molecular simulations, the Deep Potential Molecular Dynamics (DeePMD) method, based on a many-body potential and interatomic forces generated by a carefully crafted deep neural network trained with ab initio data. The neural network model preserves all the natural symmetries in the problem. It is "first principle-based" in the sense that there are no ad hoc components aside from the network model. We show that the proposed scheme provides an efficient and accurate protocol in a variety of systems, including bulk materials and molecules. In all these cases, DeePMD gives results that are essentially indistinguishable from the original data, at a cost that scales linearly with system size

Shock wave structure in a lattice gas

The motion and structure of shock and expansion waves in a simple particle system, a lattice gas and cellular automaton, are determined in an exact computation. Shock wave solutions, also exact, of a continuum description, a model Boltzmann equation, are compared with the lattice results. The comparison demonstrates that, as proved by Caprino et al. [“A derivation of the Broadwell equation,” Commun. Math. Phys. 135, 443 (1991)] only when the lattice processes are stochastic is the model Boltzmann description accurate. In the strongest shock wave, the velocity distribution function is the bimodal function proposed by Mott-Smith

To steal or not to steal: Firm attributes, legal environment, and valuation

Newly released data on corporate governance and disclosure practices reveal wide within-country variation, with the variation increasing as legal environment gets less investor friendly. This paper examines why firms practice high-quality governance when law does not require it; firm attributes that are related to the quality of governance; how the attributes interact with legal environment; and the relation between firm valuation and corporate governance. A simple model, in which a controlling shareholder trades off private benefits of diversion against costs that vary across countries and time, identifies three relevant firm attributes: investment opportunities, external financing, and ownership structure. Using firm-level governance and transparency data on 859 firms in 27 countries, we find that firms with greater growth opportunities, greater needs for external financing, and more concentrated cash flow rights practice higher-quality governance and disclose more. Moreover, firms that score higher in governance and transparency rankings are valued higher in the stock market. Equally important, all these relations are stronger in countries that are less investor friendly, demonstrating that firms do adapt to poor legal environments to establish efficient governance practices.http://deepblue.lib.umich.edu/bitstream/2027.42/39939/3/wp554.pd