41,629 research outputs found

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

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    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.

    Electron-Phonon Interactions for Optical Phonon Modes in Few-Layer Graphene

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    We present a first-principles study of the electron-phonon (e-ph) interactions and their contributions to the linewidths for the optical phonon modes at Γ\Gamma and K in one to three-layer graphene. It is found that due to the interlayer coupling and the stacking geometry, the high-frequency optical phonon modes in few-layer graphene couple with different valence and conduction bands, giving rise to different e-ph interaction strengths for these modes. Some of the multilayer optical modes derived from the Γ\Gamma-E2gE_{2g} mode of monolayer graphene exhibit slightly higher frequencies and much reduced linewidths. In addition, the linewidths of K-A1′A'_1 related modes in multilayers depend on the stacking pattern and decrease with increasing layer numbers.Comment: 6 pages,5 figures, submitted to PR

    Calculations of polarizabilities and hyperpolarizabilities for the Be+^+ ion

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    The polarizabilities and hyperpolarizabilities of the Be+^+ ion in the 22S2^2S state and the 22P2^2P state are determined. Calculations are performed using two independent methods: i) variationally determined wave functions using Hylleraas basis set expansions and ii) single electron calculations utilizing a frozen-core Hamiltonian. The first few parameters in the long-range interaction potential between a Be+^+ ion and a H, He, or Li atom, and the leading parameters of the effective potential for the high-LL Rydberg states of beryllium were also computed. All the values reported are the results of calculations close to convergence. Comparisons are made with published results where available.Comment: 18 pp; added details to Sec. I

    Long-range interactions of metastable helium atoms

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    Polarizabilities, dispersion coefficients, and long-range atom-surface interaction potentials are calculated for the n=2 triplet and singlet states of helium using highly accurate, variationally determined, wave functions.Comment: RevTeX, epsf, 4 fig

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

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    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 Cd2_2Re2_2O7_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 Cd2_2Re2_2O7_7 and induces a parity-breaking lattice distortion as a secondary order.Comment: 9 pages main text, 4 figures, 10 pages supplementary informatio
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