The dynamic dipole polarizabilities of the Li atom and the Be+ ion

The dynamic dipole polarizabilities for the Li atom and the Be+ ion in the 2s and 2p states are calculated using the variational method with a Hylleraas basis. The present polarizabilities represent the definitive values in the non-relativistic limit. Corrections due to relativistic effects are also estimated. Analytic representations of the polarizabilities for frequency ranges encompassing the n=3 excitations are presented. The recommended polarizabilities for ^7Li and ^9Be+ were 164.11 \pm 0.03 a.u. and 24.489 \pm 0.004 a.u.

Linear density response function in the projector-augmented wave method: Applications to solids, surfaces, and interfaces

We present an implementation of the linear density response function within the projector-augmented wave (PAW) method with applications to the linear optical and dielectric properties of both solids, surfaces, and interfaces. The response function is represented in plane waves while the single-particle eigenstates can be expanded on a real space grid or in atomic orbital basis for increased efficiency. The exchange-correlation kernel is treated at the level of the adiabatic local density approximation (ALDA) and crystal local field effects are included. The calculated static and dynamical dielectric functions of Si, C, SiC, AlP and GaAs compare well with previous calculations. While optical properties of semiconductors, in particular excitonic effects, are generally not well described by ALDA, we obtain excellent agreement with experiments for the surface loss function of the Mg(0001) surface with plasmon energies deviating by less than 0.2 eV. Finally, we apply the method to study the influence of substrates on the plasmon excitations in graphene. On SiC(0001), the long wavelength $\pi$ plasmons are significantly damped although their energies remain almost unaltered. On Al(111) the $\pi$ plasmon is completely quenched due to the coupling to the metal surface plasmon.Comment: 11 pages, 8 figures, articl

Elimination of IR/UV via Gravity in Noncommutative Field Theory

Models of particle physics with Noncommutative Geometry (NCG) generally suffer from a manifestly non-Wilsonian coupling of infrared and ultraviolet degrees of freedom known as the "IR/UV Problem" which would tend to compromise their phenomenological relevance. In this Letter we explicitly show how one may remedy this by coupling NCG to gravity. In the simplest scenario the Lagrangian gets multiplied by a nonconstant background metric; in $\phi-4$ theory the theorem that $\int d^4 x \phi \star \phi = \int d^4 x \phi^2$ is no longer true and the field propagator gets modified by a factor which depends on both NCG and the variation of the metric. A suitable limit of this factor as the propagating momentum gets asymptotically large then eradicates the IR/UV problem. With gravity and NCG coupled to each other, one might expect anti-symmetric components to arise in the metric. Cosmological implications of such are subsequently discussed.Comment: 6 pages; MPLA versio

A parity-breaking electronic nematic phase transition in the spin-orbit coupled metal Cd2_2Re2_2O7_7

Strong electron interactions can drive metallic systems toward a variety of well-known symmetry-broken phases, but the instabilities of correlated metals with strong spin-orbit coupling have only recently begun to be explored. We uncovered a multipolar nematic phase of matter in the metallic pyrochlore Cd$_2$Re$_2$O$_7$ using spatially resolved second-harmonic optical anisotropy measurements. Like previously discovered electronic nematic phases, this multipolar phase spontaneously breaks rotational symmetry while preserving translational invariance. However, it has the distinguishing property of being odd under spatial inversion, which is allowed only in the presence of spin-orbit coupling. By examining the critical behavior of the multipolar nematic order parameter, we show that it drives the thermal phase transition near 200 kelvin in Cd$_2$Re$_2$O$_7$ and induces a parity-breaking lattice distortion as a secondary order.Comment: 9 pages main text, 4 figures, 10 pages supplementary informatio