Ultrafast Transient Dynamics of Adsorbates on Surfaces Deciphered: The Case of CO on Cu(100)

Time-resolved vibrational spectroscopy constitutes an invaluable experimental tool for monitoring hot-carrier induced surface reactions. However, the absence of a full understanding on the precise microscopic mechanisms causing the transient spectral changes has been limiting its applicability. Here we introduce a robust first-principles theoretical framework that successfully explains both the nonthermal frequency and linewidth changes of the CO internal stretch mode on Cu(100) induced by femtosecond laser pulses. Two distinct processes engender the changes: electron-hole pair excitations underlie the nonthermal frequency shifts, while electron-mediated vibrational mode coupling gives rise to linewidth changes. Furthermore, the origin and precise sequence of coupling events are finally identified.Comment: Article as accepted for publication in Physical Review Letters; 5 pages, 2 figures, 1 tabl

Frequency stability of maser oscillators operated with cavity Q

The short term frequency stability of masers equipped with an external feedback loop to increase the cavity quality factor was studied. The frequency stability of a hydrogen and a rubidium maser were measured and compared with theoretical evaluation. It is shown that the frequency stability passes through an optimum when the cavity Q is varied. Long term fluctuations are discussed and the optimum mid term frequency stability achievably by small size active and passive H-masers is considered

Spin susceptibility of interacting electrons in one dimension: Luttinger liquid and lattice effects

The temperature-dependent uniform magnetic susceptibility of interacting electrons in one dimension is calculated using several methods. At low temperature, the renormalization group reaveals that the Luttinger liquid spin susceptibility $\chi (T)$ approaches zero temperature with an infinite slope in striking contrast with the Fermi liquid result and with the behavior of the compressibility in the absence of umklapp scattering. This effect comes from the leading marginally irrelevant operator, in analogy with the Heisenberg spin 1/2 antiferromagnetic chain. Comparisons with Monte Carlo simulations at higher temperature reveal that non-logarithmic terms are important in that regime. These contributions are evaluated from an effective interaction that includes the same set of diagrams as those that give the leading logarithmic terms in the renormalization group approach. Comments on the third law of thermodynamics as well as reasons for the failure of approaches that work in higher dimensions are given.Comment: 21 pages, latex including 5 eps figure

Spiral Magnets as Gapless Mott Insulators

In the large $U$ limit, the ground state of the half-filled, nearest-neighbor Hubbard model on the triangular lattice is the three-sublattice antiferromagnet. In sharp contrast with the square-lattice case, where transverse spin-waves and charge excitations remain decoupled to all orders in $t/U$, it is shown that beyond leading order in $t/U$ the three Goldstone modes on the triangular lattice are a linear combination of spin and charge. This leads to non-vanishing conductivity at any finite frequency, even though the magnet remains insulating at zero frequency. More generally, non-collinear spin order should lead to such gapless insulating behavior.Comment: 10 pages, REVTEX 3.0, 3 uuencoded postscript figures, CRPS-94-0

Breakdown of Fermi liquid behavior at the (\pi,\pi)=2k_F spin-density wave quantum-critical point: the case of electron-doped cuprates

Many correlated materials display a quantum critical point between a paramagnetic and a SDW state. The SDW wave vector connects points (hot spots) on opposite sides of the Fermi surface. The Fermi velocities at these pairs of points are in general not parallel. Here we consider the case where pairs of hot spots coalesce, and the wave vector (\pi,\pi) of the SDW connects hot spots with parallel Fermi velocities. Using the specific example of electron-doped cuprates, we first show that Kanamori screening and generic features of the Lindhard function make this case experimentally relevant. The temperature dependence of the correlation length, the spin susceptibility and the self-energy at the hot spots are found using the Two-Particle-Self-Consistent theory and specific numerical examples worked out for parameters characteristic of the electron-doped cuprates. While the curvature of the Fermi surface at the hot spots leads to deviations from perfect nesting, the pseudo-nesting conditions lead to drastic modifications to the temperature dependence of these physical observables: Neglecting logarithmic corrections, the correlation length \xi scales like 1/T, i.e. z=1 instead of the naive z=2, the (\pi,\pi) static spin susceptibility \chi like $1/\sqrt T$, and the imaginary part of the self-energy at the hot spots like $T^{3/2}$. The correction $T_1^{-1}\sim T^{3/2}$ to the Korringa NMR relaxation rate is subdominant. We also consider this problem at zero temperature, or for frequencies larger than temperature, using a field-theoretical model of gapless SDW fluctuations interacting with fermions. The imaginary part of the fermionic self-energy close to the hot spots scales as $-\omega^{3/2}\log\omega$. This is less singular than earlier predictions of the form $-\omega\log\omega$. The difference arises from the effects of umklapp terms that were not included in previous studies.Comment: 23 pages, 12 figures; (v2) minor changes; (v3) Final published versio

Superintegrability of the Tremblay-Turbiner-Winternitz quantum Hamiltonians on a plane for odd kk

In a recent FTC by Tremblay {\sl et al} (2009 {\sl J. Phys. A: Math. Theor.} {\bf 42} 205206), it has been conjectured that for any integer value of $k$, some novel exactly solvable and integrable quantum Hamiltonian $H_k$ on a plane is superintegrable and that the additional integral of motion is a $2k$th-order differential operator $Y_{2k}$. Here we demonstrate the conjecture for the infinite family of Hamiltonians $H_k$ with odd $k \ge 3$, whose first member corresponds to the three-body Calogero-Marchioro-Wolfes model after elimination of the centre-of-mass motion. Our approach is based on the construction of some $D_{2k}$-extended and invariant Hamiltonian \chh_k, which can be interpreted as a modified boson oscillator Hamiltonian. The latter is then shown to possess a $D_{2k}$-invariant integral of motion \cyy_{2k}, from which $Y_{2k}$ can be obtained by projection in the $D_{2k}$ identity representation space.Comment: 14 pages, no figure; change of title + important addition to sect. 4 + 2 more references + minor modifications; accepted by JPA as an FT

Diffusion of hydrogen interstitials in the near-surface region of Pd(111) under the influence of surface coverage and external static electric fields

Past scanning tunneling microscopy (STM) experiments of H manipulation on Pd(111), at low temperature, have shown that it is possible to induce diffusion of surface species as well as of those deeply buried under the surface. Several questions remain open regarding the role of subsurface site occupancies. In the present work, the interaction potential of H atoms with Pd(111) under various H coverage conditions is determined by means of density functional theory calculations in order to provide an answer to two of these questions: (i) whether subsurface sites are the final locations for the H impurities that attempt to emerge from bulk regions, and (ii) whether penetration of the surface is a competing route of on-surface diffusion during depletion of surface H on densely covered Pd(111). We find that a high H coverage has the effect of blocking resurfacing of H atoms travelling from below, which would otherwise reach the surface fcc sites, but it hardly alters deeper diffusion energy barriers. Penetration is unlikely and restricted to high occupancies of hcp hollows. In agreement with experiments, the Pd lattice expands vertically as a consequence of H atoms being blocked at subsurface sites, and surface H enhances this expansion. STM tip effects are included in the calculations self-consistently as an external static electric field. The main contribution to the induced surface electric dipoles originates from the Pd substrate polarisability. We find that the electric field has a non- negligible effect on the H-Pd potential in the vicinity of the topmost Pd atomic layer, yet typical STM intensities of 1-2 VÅ−1 are insufficient to invert the stabilities of the surface and subsurface equilibrium sites