GW quasiparticle calculations with spin-orbit coupling for the light actinides

We report on the importance of GW self-energy corrections for the electronic structure of light actinides in the weak-to-intermediate coupling regime. Our study is based on calculations of the band structure and total density of states of Np, U, and Pu using a one-shot GW approximation that includes spin-orbit coupling within a full potential LAPW framework. We also present RPA screened effective Coulomb interactions for the f-electron orbitals for different lattice constants, and show that there is an increased contribution from electron-electron correlation in these systems for expanded lattices. We find a significant amount of electronic correlation in these highly localized electronic systems.Comment: Accepted and to appear in Phys. Rev.

Structural Control of Metamaterial Oscillator Strength and Electric Field Enhancement at Terahertz Frequencies

The design of artificial nonlinear materials requires control over the internal resonant charge densities and local electric field distributions. We present a MM design with a structurally controllable oscillator strength and local electric field enhancement at terahertz frequencies. The MM consists of a split ring resonator (SRR) array stacked above an array of nonresonant closed conducting rings. An in-plane, lateral shift of a half unit cell between the SRR and closed ring arrays results in a decrease of the MM oscillator strength by a factor of 4 and a 40% change in the amplitude of the resonant electric field enhancement in the SRR capacitive gap. We use terahertz time-domain spectroscopy and numerical simulations to confirm our results and we propose a qualitative inductive coupling model to explain the observed electromagnetic reponse.Comment: 11 pages, 5 figure

Spin Hall Effect in Atoms

We propose an optical means to realize a spin hall effect (SHE) in neutral atomic system by coupling the internal spin states of atoms to radiation. The interaction between the external optical fields and the atoms creates effective magnetic fields that act in opposite directions on "electrically" neutral atoms with opposite spin polarizations. This effect leads to a Landau level structure for each spin orientation in direct analogy with the familiar SHE in semiconductors. The conservation and topological properties of the spin current, and the creation of a pure spin current are discussed.Comment: 4 pages, 2 figure; Final versio

Performance of a non-empirical meta-GGA density functional for excitation energies

It is known that the adiabatic approximation in time-dependent density functional theory usually provides a good description of low-lying excitations of molecules. In the present work, the capability of the adiabatic nonempirical meta-generalized gradient approximation (meta-GGA) of Tao, Perdew, Staroverov, and Scuseria (TPSS) to describe atomic and molecular excitations is tested. The adiabatic (one-parameter) hybrid version of the TPSS meta-GGA and the adiabatic GGA of Perdew, Burke, and Ernzerhof (PBE) are also included in the test. The results are compared to experiments and to two well-established hybrid functionals PBE0 and B3LYP. Calculations show that both adiabatic TPSS and TPSSh functionals produce excitation energies in fairly good agreement with experiments, and improve upon the adiabatic local spin density approximation and, in particular, the adiabatic PBE GGA. This further confirms that TPSS is indeed a reliable nonhybrid universal functional which can serve as the starting point from which higher-level approximations can be constructed. The systematic underestimate of the low-lying vertical excitation energies of molecules with time-dependent density functionals within the adiabatic approximation suggests that further improvement can be made with nonadiabatic corrections.Comment: 7 page

Decoupling Crossover in Asymmetric Broadside Coupled Split Ring Resonators at Terahertz Frequencies

We investigate the electromagnetic response of asymmetric broadside coupled split ring resonators (ABC-SRRs) as a function of the relative in-plane displacement between the two component SRRs. The asymmetry is defined as the difference in the capacitive gap widths (\Delta g) between the two resonators comprising a coupled unit. We characterize the response of ABC-SRRs both numerically and experimentally via terahertz time-domain spectroscopy. As with symmetric BC-SRRs (\Delta g=0 \mu m), a large redshift in the LC resonance is observed with increasing displacement, resulting from changes in the capacitive and inductive coupling. However, for ABC-SRRs, in-plane shifting between the two resonators by more than 0.375Lo (Lo=SRR sidelength) results in a transition to a response with two resonant modes, associated with decoupling in the ABC-SRRs. For increasing \Delta g, the decoupling transition begins at the same relative shift (0.375Lo), though with an increase in the oscillator strength of the new mode. This strongly contrasts with symmetric BC-SRRs which present only one resonance for shifts up to 0.75Lo. Since all BC-SRRs are effectively asymmetric when placed on a substrate, an understanding of ABC-SRR behavior is essential for a complete understanding of BC-SRR based metamaterials

Comparison of Power Dependence of Microwave Surface Resistance of Unpatterned and Patterned YBCO Thin Film

The effect of the patterning process on the nonlinearity of the microwave surface resistance $R_S$ of YBCO thin films is investigated. With the use of a sapphire dielectric resonator and a stripline resonator, the microwave $R_S$ of YBCO thin films was measured before and after the patterning process, as a function of temperature and the rf peak magnetic field in the film. The microwave loss was also modeled, assuming a $J_{rf}^2$ dependence of $Z_S(J_{rf})$ on current density $J_{rf}$. Experimental and modeled results show that the patterning has no observable effect on the microwave residual $R_S$ or on the power dependence of $R_S$.Comment: Submitted to IEEE Trans. MT

Continuous quantum phase transition in a Kondo lattice model

We study the magnetic quantum phase transition in an anisotropic Kondo lattice model. The dynamical competition between the RKKY and Kondo interactions is treated using an extended dynamic mean field theory (EDMFT) appropriate for both the antiferromagnetic and paramagnetic phases. A quantum Monte Carlo approach is used, which is able to reach very low temperatures, of the order of 1% of the bare Kondo scale. We find that the finite-temperature magnetic transition, which occurs for sufficiently large RKKY interactions, is first order. The extrapolated zero-temperature magnetic transition, on the other hand, is continuous and locally critical.Comment: 4 pages, 4 figures; updated, to appear in PR

Coulomb correlation in presence of spin-orbit coupling: application to plutonium

Attempts to go beyond the local density approximation (LDA) of Density Functional Theory (DFT) have been increasingly based on the incorporation of more realistic Coulomb interactions. In their earliest implementations, methods like LDA+$U$, LDA + DMFT (Dynamical Mean Field Theory), and LDA+Gutzwiller used a simple model interaction $U$. In this article we generalize the solution of the full Coulomb matrix involving $F^{(0)}$ to $F^{(6)}$ parameters, which is usually presented in terms of an $\ell m_\ell$ basis, into a $jm_{j}$ basis of the total angular momentum, where we also include spin-orbit coupling; this type of theory is needed for a reliable description of $f$-state elements like plutonium, which we use as an example of our theory. Close attention will be paid to spin-flip terms, which are important in multiplet theory but that have been usually neglected in these kinds of studies. We find that, in a density-density approximation, the $jm_j$ basis results provide a very good approximation to the full Coulomb matrix result, in contrast to the much less accurate results for the more conventional $\ell m_\ell$ basis

The Electronic Correlation Strength of Pu

An electronic quantity, the correlation strength, is defined as a necessary step for understanding the properties and trends in strongly correlated electronic materials. As a test case, this is applied to the different phases of elemental Pu. Within the GW approximation we have surprisingly found a "universal" scaling relationship, where the f-electron bandwidth reduction due to correlation effects is shown to depend only on the local density approximation bandwidth and is otherwise independent of crystal structure and lattice constant.Comment: 7 pages, 4 figures, This version of the paper has been revised to add additional background informatio