Lattice density functional theory at finite temperature with strongly density-dependent exchange-correlation potentials

The derivative discontinuity of the exchange-correlation (xc) energy at integer particle number is a property of the exact, unknown xc functional of density functional theory (DFT) which is absent in many popular local and semilocal approximations. In lattice DFT, approximations exist which exhibit a discontinuity in the xc potential at half filling. However, due to convergence problems of the Kohn-Sham (KS) self-consistency cycle, the use of these functionals is mostly restricted to situations where the local density is away from half filling. Here a numerical scheme for the self-consistent solution of the lattice KS Hamiltonian with a local xc potential with rapid (or quasi-discontinuous) density dependence is suggested. The problem is formulated in terms of finite-temperature DFT where the discontinuity in the xc potential emerges naturally in the limit of zero temperature. A simple parametrization is suggested for the xc potential of the uniform 1D Hubbard model at finite temperature which is obtained from the solution of the thermodynamic Bethe ansatz. The feasibility of the numerical scheme is demonstrated by application to a model of fermionic atoms in a harmonic trap. The corresponding density profile exhibits a plateau of integer occupation at low temperatures which melts away for higher temperatures.Comment: 14 pages, 11 figure

The time-dependent exchange-correlation functional for a Hubbard dimer: quantifying non-adiabatic effect

We address and quantify the role of non-adiabaticity ("memory effects") in the exchange-correlation (xc) functional of time-dependent density functional theory (TDDFT) for describing non-linear dynamics of many-body systems. Time-dependent resonant processes are particularly challenging for available TDDFT approximations, due to their strong non-linear and non-adiabatic character. None of the known approximate density functionals are able to cope with this class of problems in a satisfactory manner. In this work we look at the prototypical example of the resonant processes by considering Rabi oscillations within the exactly soluble 2-site Hubbard model. We construct the exact adiabatic xc functional and show that (i) it does not reproduce correctly resonant Rabi dynamics, (ii) there is a sizable non-adiabatic contribution to the exact xc potential, which turns out to be small only at the beginning and at the end of the Rabi cycle when the ground state population is dominant. We then propose a "two-level" approximation for the time-dependent xc potential which can capture Rabi dynamics in the 2-site problem. It works well both for resonant and for detuned Rabi oscillations and becomes essentially exact in the linear response regime. This new, fully non-adiabatic and explicit density functional constitutes one of the main results of the present work.Comment: 8 pages, 5 figure

Dynamical Coulomb Blockade and the Derivative Discontinuity of Time-Dependent Density Functional Theory

The role of the discontinuity of the exchange-correlation potential of density functional theory is studied in the context of electron transport and shown to be intimately related to Coulomb blockade. By following the time evolution of an interacting nanojunction attached to biased leads, we find that, instead of evolving to a steady state, the system reaches a dynamical state characterized by correlation-induced current oscillations. Our results establish a dynamical picture of Coulomb blockade manifesting itself as a periodic sequence of charging and discharging of the nanostructure.Comment: to appear in Physical Review Letter

BaFe_{1.8}Co_{0.2}As_2 thin film hybrid Josephson junctions

Josephson junctions with iron pnictides open the way for fundamental experiments on superconductivity in these materials and their application in superconducting devices. Here, we present hybrid Josephson junctions with a BaFe_{1.8}Co_{0.2}As_2 thin film electrode, an Au barrier and a PbIn counter electrode. The junctions show RSJ-like current-voltage characteristics up to the critical temperature of the counter electrode of about 7.2K. The temperature dependence of the critical current, IC, does not show an Ambegaokar-Baratoff behavior. Well-pronounced Shapiro steps are observed at microwave frequencies of 10-18GHz. Assuming an excess current, I_ex, of 200 {\mu}A at 4.2K we get an effective I_C R_N product of 6 {\mu}V.Comment: submitted to Appl. Phys. Let

Influence of the spreading resistance on the conductance spectrum of planar hybrid thin film SNS' junctions based on iron pnictides

To investigate the superconducting properties of iron pnictides we prepared planar hybrid SNS' junctions in thin film technology with a pnictide base electrode, a gold barrier layer and a lead counter electrode. Our design allows characterization of the electrodes and the junction independently in a 4-probe method. We show how both electrodes influence the measured spectra due to their spreading resistance. While the Pb electrode has a constant resistance above its $T_c$, the contribution of the pnictide electrode is clearly current-dependent and thus it needs a more advanced method to be corrected. We present an empirical method, which is simple to apply and allows to deal with the spreading resistance in our junctions to recalculate the actual conductance and voltage of one junction at given temperature

Influenced of Fe buffer thickness on the crystalline quality and the transport properties of Fe/Ba(Fe1-xCox)2As2 bilayers

The implementation of an Fe buffer layer is a promising way to obtain epitaxial growth of Co-doped BaFe2As2 (Ba-122). However, the crystalline quality and the superconducting properties of Co-doped Ba-122 are influenced by the Fe buffer layer thickness, dFe. The well-textured growth of the Fe/Ba-122 bilayer with dFe = 15 nm results in a high Jc of 0.45 MAcm$^{-2}$ at 12 K in self-field, whereas a low Jc value of 61000 Acm$^{-2}$ is recorded for the bilayer with dFe = 4 nm at the corresponding reduced temperature due to the presence of grain boundaries

Medicaid managed care: Issues for beneficiaries with disabilities

Background: States are increasingly turning to managed care arrangements to control costs in their Medicaid programs. Historically, such arrangements have excluded people with disabilities who use long-term services and supports (LTSS) due to their complex needs. Now, however, some states are also moving this population to managed care. Little is known about the experiences of people with disabilities during and after this transition. Objective: To document experiences of Medicaid enrollees with disabilities using long-term services and supports during transition to Medicaid managed care in Kansas. Methods: During the spring of 2013, 105 Kansans with disabilities using Medicaid long-term services and supports (LTSS) were surveyed via telephone or in-person as they transitioned to managed care. Qualitative data analysis of survey responses was conducted to learn more about the issues encountered by people with disabilities under Medicaid managed care. Results: Respondents encountered numerous disability-related difficulties, particularly with transportation, durable medical equipment, care coordination, communication, increased out of pocket costs, and access to care. Conclusions: As more states move people with disabilities to Medicaid managed care, it is critically important to address these identified issues for a population that often experiences substantial health disparities and a smaller margin of health. It is hoped that the early experiences reported here can inform policy-makers in other states as they contemplate and design similar programs

Social discounting of pain

Impatience can be formalized as a delay discount rate, describing how the subjective value of reward decreases as it is delayed. By analogy, selfishness can be formalized as a social discount rate, representing how the subjective value of rewarding another person decreases with increasing social distance. Delay and social discount rates for reward are correlated across individuals. However no previous work has examined whether this relationship also holds for aversive outcomes. Neither has previous work described a functional form for social discounting of pain in humans. This is a pertinent question, since preferences over aversive outcomes formally diverge from those for reward. We addressed this issue in an experiment in which healthy adult participants (N = 67) chose the timing and intensity of hypothetical pain for themselves and others. In keeping with previous studies, participants showed a strong preference for immediate over delayed pain. Participants showed greater concern for pain in close others than for their own pain, though this hyperaltruism was steeply discounted with increasing social distance. Impatience for pain and social discounting of pain were weakly correlated across individuals. Our results extend a link between impatience and selfishness to the aversive domain