Kondo resonance line-shape of magnetic adatoms on decoupling layers

The zero-bias resonance in the dI/dV tunneling spectrum recorded using a scanning tunneling microscope above a spin-1/2 magnetic adatom (such as Ti) adsorbed on a decoupling layer on metal surface can be accurately fitted using the universal spectral function of the Kondo impurity model both at zero field and at finite external magnetic field. Excellent agreement is found both for the asymptotic low-energy part and for the high-energy logarithmic tails of the Kondo resonance. For finite magnetic field, the nonlinear fitting procedure consists in repeatedly solving the impurity model for different Zeeman energies in order to obtain accurate spectral functions which are compared with the experimental dI/dV curves. The experimental results at zero field are sufficiently restraining to enable an unprecedented reliability in the determination of the Kondo temperature, while at finite fields the results are more ambiguous and two different interpretations are proposed

Field-theory calculation of the electric dipole moment of the neutron and paramagnetic atoms

Electric dipole moments (edms) of bound states that arise from the constituents having edms are studied with field-theoretic techniques. The systems treated are the neutron and a set of paramagnetic atoms. In the latter case it is well known that the atomic edm differs greatly from the electron edm when the internal electric fields of the atom are taken into account. In the nonrelativistic limit these fields lead to a complete suppression, but for heavy atoms large enhancement factors are present. A general bound-state field theory approach applicable to both the neutron and paramagnetic atoms is set up. It is applied first to the neutron, treating the quarks as moving freely in a confining spherical well. It is shown that the effect of internal electric fields is small in this case. The atomic problem is then revisited using field-theory techniques in place of the usual Hamiltonian methods, and the atomic enhancement factor is shown to be consistent with previous calculations. Possible application of bound-state techniques to other sources of the neutron edm is discussed.Comment: 21 pages, 5 figure

Advanced double layer capacitors

Work was conducted that could lead to a high energy density electrochemical capacitor, completely free of liquid electrolyte. A three-dimensional RuO sub x-ionomer composite structure has been successfully formed and appears to provide an ionomer ionic linkage throughout the composite structure. Capacitance values of approximately 0.6 F/sq cm were obtained compared with 1 F/sq cm when a liquid electrolyte is used with the same configuration

Magnetic excitations in the spin-trimer compounds Ca3Cu3-xNix(PO4)4 (x=0,1,2)

Inelastic neutron scattering experiments were performed for the spin-trimer compounds Ca3Cu3-xNix(PO4)4 (x=0,1,2) in order to study the dynamic magnetic properties. The observed excitations can be associated with transitions between the low-lying electronic states of linear Cu-Cu-Cu, Cu-Cu-Ni, and Ni-Cu-Ni trimers which are the basic constituents of the title compounds. The exchange interactions within the trimers are well described by the Heisenberg model with dominant antiferromagnetic nearest-neighbor interactions J. For x=0 we find JCu-Cu=-4.74(2) meV which is enhanced for x=1 to JCu-Cu=-4.92(6) meV. For x=1 and x=2 we find JCu-Ni=-0.85(10) meV and an axial single-ion anisotropy parameter DNi=-0.7(1) meV. While the x=0 and x=1 compounds do not exhibit long-range magnetic ordering down to 1 K, the x=2 compound shows antiferromagnetic ordering below TN=20 K, which is compatible with the molecular-field parameter 0.63(12) meV derived by neutron spectroscopy.Comment: 22 pages (double spacing), 1 table, 9 figures, Submitted to Phys. Rev. B (2007

Slip energy barriers in aluminum and implications for ductile versus brittle behavior

We conisder the brittle versus ductile behavior of aluminum in the framework of the Peierls-model analysis of dislocation emission from a crack tip. To this end, we perform first-principles quantum mechanical calculations for the unstable stacking energy $\gamma_{us}$ of aluminum along the Shockley partial slip route. Our calculations are based on density functional theory and the local density approximation and include full atomic and volume relaxation. We find that in aluminum $\gamma_{us} = 0.224$ J/m$^2$. Within the Peierls-model analysis, this value would predict a brittle solid which poses an interesting problem since aluminum is typically considered ductile. The resolution may be given by one of three possibilites: (a) Aluminum is indeed brittle at zero temperature, and becomes ductile at a finite temperature due to motion of pre-existing dislocations which relax the stress concentration at the crack tip. (b) Dislocation emission at the crack tip is itself a thermally activated process. (c) Aluminum is actually ductile at all temperatures and the theoretical model employed needs to be significantly improved in order to resolve the apparent contradiction.Comment: 4 figures (not included; send requests to [email protected]

Thermal activation of rupture and slow crack growth in a model of homogenous brittle materials

Slow crack growth in a model of homogenous brittle elastic material is described as a thermal activation process where stress fluctuations allow to overcome a breaking threshold through a series of irreversible steps. We study the case of a single crack in a flat sheet for which analytical predictions can be made, and compare them with results from the equivalent problem of a 2D spring network. Good statistical agreement is obtained for the crack growth profile and final rupture time. The specific scaling of the energy barrier with stress intensity factor appears as a consequence of irreversibility. In addition, the model brings out a characteristic growth length whose physical meaning could be tested experimentally.Comment: To be published in : Europhysics Letter

Linear Chains of Styrene and Methyl-Styrene Molecules and their Heterojunctions on Silicon: Theory and Experiment

We report on the synthesis, STM imaging and theoretical studies of the structure, electronic structure and transport properties of linear chains of styrene and methyl-styrene molecules and their heterojunctions on hydrogen-terminated dimerized silicon (001) surfaces. The theory presented here accounts for the essential features of the experimental STM data including the nature of the corrugation observed along the molecular chains and the pronounced changes in the contrast between the styrene and methyl-styrene parts of the molecular chains that are observed as the applied bias is varied. The observed evolution with applied bias of the STM profiles near the ends of the molecular chains is also explained. Calculations are also presented of electron transport along styrene linear chains adsorbed on the silicon surface at energies in the vicinity of the molecular HOMO and LUMO levels. For short styrene chains this lateral transport is found to be due primarily to direct electron transmission from molecule to molecule rather than through the silicon substrate, especially in the molecular LUMO band. Differences between the calculated position-dependences of the STM current around a junction of styrene and methyl-styrene molecular chains under positive and negative tip bias are related to the nature of lateral electron transmission along the molecular chains and to the formation in the LUMO band of an electronic state localized around the heterojunction.Comment: 17 pages plus 11 figures. To appear in Physical Review

EPR studies of manganese centers in SrTiO3: Non-Kramers Mn3+ ions and spin-spin coupled Mn4+ dimers

X- and Q-band electron paramagnetic resonance (EPR) study is reported on the SrTiO3 single crystals doped with 0.5-at.% MnO. EPR spectra originating from the S = 2 ground state of Mn3+ ions are shown to belong to the three distinct types of Jahn-Teller centres. The ordering of the oxygen vacancies due to the reduction treatment of the samples and consequent formation of oxygen vacancy associated Mn3+ centres are explained in terms of the localized charge compensation. The EPR spectra of SrTiO3: Mn crystals show the presence of next nearest neighbor exchange coupled Mn4+ pairs in the directions.Comment: 17 pages, 8 figure