Detailed studies of non-linear magneto-optical resonances at D1 excitation of Rb-85 and Rb-87 for partially resolved hyperfine F-levels

Experimental signals of non-linear magneto-optical resonances at D1 excitation of natural rubidium in a vapor cell have been obtained and described with experimental accuracy by a detailed theoretical model based on the optical Bloch equations. The D1 transition of rubidium is a challenging system to analyze theoretically because it contains transitions that are only partially resolved under Doppler broadening. The theoretical model took into account all nearby transitions, the coherence properties of the exciting laser radiation, and the mixing of magnetic sublevels in an external magnetic field and also included averaging over the Doppler profile. Great care was taken to obtain accurate experimental signals and avoid systematic errors. The experimental signals were reproduced very well at each hyperfine transition and over a wide range of laser power densities, beam diameters, and laser detunings from the exact transition frequency. The bright resonance expected at the F_g=1 --> F_e=2 transition of Rb-87 has been observed. A bright resonance was observed at the F_g=2 --> F_e=3 transition of Rb-85, but displaced from the exact position of the transition due to the influence of the nearby F_g=2 --> F_e=2 transition, which is a dark resonance whose contrast is almost two orders of magnitude larger than the contrast of the bright resonance at the F_g=2 --> F_e=3 transition. Even in this very delicate situation, the theoretical model described in detail the experimental signals at different laser detunings.Comment: 11 pages, 9 figure

Ensemble v-representable ab-initio density functional calculation of energy and spin in atoms: atest of exchange-correlation approximations

The total energies and the spin states for atoms and their first ions with Z = 1-86 are calculated within the the local spin-density approximation (LSDA) and the generalized-gradient approximation (GGA) to the exchange-correlation (xc) energy in density-functional theory. Atoms and ions for which the ground-state density is not pure-state v-representable, are treated as ensemble v- representable with fractional occupations of the Kohn-Sham system. A newly developed algorithm which searches over ensemble v-representable densities [E. Kraisler et al., Phys. Rev. A 80, 032115 (2009)] is employed in calculations. It is found that for many atoms the ionization energies obtained with the GGA are only modestly improved with respect to experimental data, as compared to the LSDA. However, even in those groups of atoms where the improvement is systematic, there remains a non-negligible difference with respect to the experiment. The ab-initio electronic configuration in the Kohn-Sham reference system does not always equal the configuration obtained from the spectroscopic term within the independent-electron approximation. It was shown that use of the latter configuration can prevent the energy-minimization process from converging to the global minimum, e.g. in lanthanides. The spin values calculated ab-initio fit the experiment for most atoms and are almost unaffected by the choice of the xc-functional. Among the systems with incorrectly obtained spin there exist some cases (e.g. V, Pt) for which the result is found to be stable with respect to small variations in the xc-approximation. These findings suggest a necessity for a significant modification of the exchange-correlation functional, probably of a non-local nature, to accurately describe such systems. PACS numbers: 31.15.

Current-induced magnetization dynamics in disordered itinerant ferromagnets

Current-driven magnetization dynamics in ferromagnetic metals are studied in a self-consistent adiabatic local-density approximation in the presence of spin-conserving and spin-dephasing impurity scattering. Based on a quantum kinetic equation, we derive Gilbert damping and spin-transfer torques entering the Landau-Lifshitz equation to linear order in frequency and wave vector. Gilbert damping and a current-driven dissipative torque scale identically and compete, with the result that a steady current-driven domain-wall motion is insensitive to spin dephasing in the limit of weak ferromagnetism. A uniform magnetization is found to be much more stable against spin torques in the itinerant than in the \textit{s}-\textit{d} model for ferromagnetism. A dynamic spin-transfer torque reminiscent of the spin pumping in multilayers is identified and shown to govern the current-induced domain-wall distortion

Structural Properties and Relative Stability of (Meta)Stable Ordered, Partially-ordered and Disordered Al-Li Alloy Phases

We resolve issues that have plagued reliable prediction of relative phase stability for solid-solutions and compounds. Due to its commercially important phase diagram, we showcase Al-Li system because historically density-functional theory (DFT) results show large scatter and limited success in predicting the structural properties and stability of solid-solutions relative to ordered compounds. Using recent advances in an optimal basis-set representation of the topology of electronic charge density (and, hence, atomic size), we present DFT results that agree reasonably well with all known experimental data for the structural properties and formation energies of ordered, off-stoichiometric partially-ordered and disordered alloys, opening the way for reliable study in complex alloys.Comment: 7 pages, 2 figures, 2 Table

Optical properties and electronic structure of β′−NiAl

The optical constants and their temperature derivatives have been determined for β′−NiAl from absorption and thermoreflectance measurements in the energy range of 0.2-4.4 eV. The results are interpreted using the self-consistent energy bands of Moruzzi, Williams, and Gelatt. By comparing a calculated joint density of states with ε2, the imaginary part of the dielectric function, good overall agreement is found between theory and experiment. In contrast to earlier analyses, it is found that the 2.5-eV peak in ε2 is primarily due to direct interband transitions terminating near the Fermi surface. This new interpretation of the 2.5-eV feature is discussed in relation to previously reported concentration effects and the rigid-band model

Spin Screening and Antiscreening in a Ferromagnet/Superconductor Heterojunction

We present a theoretical study of spin screening effects in a ferromagnet/superconductor (F/S) heterojunction. It is shown that the magnetic moment of the ferromagnet is screened or antiscreened, depending on the polarization of the electrons at the Fermi level. If the polarization is determined by the electrons of the majority (minority) spin band then the magnetic moment of the ferromagnet is screened (antiscreened) by the electrons in the superconductor. We propose experiments that may confirm our theory: for ferromagnetic alloys with certain concentration of Fe or Ni ions there will be screening or antiscreening respectively. Different configurations for the density of states are also discussed.Comment: 5 pages; 4 figures. to be published in Phys. Rev,

Four-terminal resistance of an interacting quantum wire with weakly invasive contacts

We analyze the behavior of the four-terminal resistance, relative to the two-terminal resistance of an interacting quantum wire with an impurity, taking into account the invasiveness of the voltage probes. We consider a one-dimensional Luttinger model of spinless fermions for the wire. We treat the coupling to the voltage probes perturbatively, within the framework of non-equilibrium Green function techniques. Our investigation unveils the combined effect of impurities, electron-electron interactions and invasiveness of the probes on the possible occurrence of negative resistance.Comment: 10 pages, 7 figure

Spin-orbit coupling in ferromagnetic Nickel

We use the Gutzwiller variational theory to investigate the electronic and the magnetic properties of fcc-Nickel. Our particular focus is on the effects of the spin-orbit coupling. Unlike standard relativistic band-structure theories, we reproduce the experimental magnetic moment direction and we explain the change of the Fermi-surface topology that occurs when the magnetic moment direction is rotated by an external magnetic field. The Fermi surface in our calculation deviates from early de-Haas--van-Alphen (dHvA) results. We attribute these discrepancies to an incorrect interpretation of the raw dHvA data.Comment: 4 pages, 3 figures, submitted to PR

About the strength of correlation effects in the electronic structure of iron

The strength of electronic correlation effects in the spin-dependent electronic structure of ferromagnetic bcc Fe(110) has been investigated by means of spin and angle-resolved photoemission spectroscopy. The experimental results are compared to theoretical calculations within the three-body scattering approximation and within the dynamical mean-field theory, together with one-step model calculations of the photoemission process. This comparison indicates that the present state of the art many-body calculations, although improving the description of correlation effects in Fe, give too small mass renormalizations and scattering rates thus demanding more refined many-body theories including non-local fluctuations.Comment: 4 pages, 4 figure

Geometric, electronic, and magnetic structure of Co2_2FeSi: Curie temperature and magnetic moment measurements and calculations

In this work a simple concept was used for a systematic search for new materials with high spin polarization. It is based on two semi-empirical models. Firstly, the Slater-Pauling rule was used for estimation of the magnetic moment. This model is well supported by electronic structure calculations. The second model was found particularly for Co$_2$ based Heusler compounds when comparing their magnetic properties. It turned out that these compounds exhibit seemingly a linear dependence of the Curie temperature as function of the magnetic moment. Stimulated by these models, Co$_2$FeSi was revisited. The compound was investigated in detail concerning its geometrical and magnetic structure by means of X-ray diffraction, X-ray absorption and M\"o\ss bauer spectroscopies as well as high and low temperature magnetometry. The measurements revealed that it is, currently, the material with the highest magnetic moment ($6\mu_B$) and Curie-temperature (1100K) in the classes of Heusler compounds as well as half-metallic ferromagnets. The experimental findings are supported by detailed electronic structure calculations