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Sample records for excitation spectra spin

  1. Symmetry of spin excitation spectra in 122-ferropnictides

    NASA Astrophysics Data System (ADS)

    Inosov, Dmytro

    2011-03-01

    We have studied the symmetry of spin excitation spectra in 122-ferropnictide superconductors by comparing the results of first-principles calculations with inelastic neutron scattering (INS) measurements on Ni- and Co-doped BaFe 2 As 2 samples close to the optimal doping level, which exhibit neither static magnetic phases nor structural phase transitions. In both the normal and superconducting (SC) states, the spectrum does not follow the I 4 / mmm space group of the crystal, but instead inherits its symmetry from the unfolded Brillouin zone of the Fe- sublattice. This is manifest both in the in-plane anisotropy of the normal- and SC-state spin dynamics and in the out-of-plane dispersion of the spin-resonance mode and the SC spin gap. The in-plane anisotropy is temperature-independent and can be qualitatively reproduced in normal-state density-functional theory calculations without invoking a symmetry-broken (``nematic'') ground state that was previously proposed as an explanation for this effect. Below the SC transition, the energy of the magnetic resonant mode, as well as its intensity and the SC spin gap, inherit the normal-state intensity modulation along the out-of-plane direction. Apparently, it can be traced back to the three-dimensional band structure and the superconducting gap, both of which were reported to disperse along the out-of- plane direction. This work has been supported, in part, by the DFG within the Schwerpunktprogramm 1458, under Grant No. BO3537/1-1.

  2. Spin excitation spectra of iron-based superconductors from the degenerate double-exchange model

    NASA Astrophysics Data System (ADS)

    Leong, Zhidong; Lee, Wei-Cheng; Lv, Weicheng; Phillips, Philip

    2014-03-01

    Using a degenerate double-exchange model, we investigate the spin excitation spectra of iron pnictides. The model consists of local spin moments on each Fe site as well as itinerant electrons from the degenerate dxz and dyz orbitals. The local moments interact with each other through antiferromagnetic J1-J2 Heisenberg interactions, and they couple to the itinerant electrons through a ferromagnetic Hund's coupling. We employ the fermionic spinon representation for the local moments and perform a generalized RPA calculation on both spinons and itinerant electrons. We find that in the (π,0) magnetically-ordered state, the spin-wave excitation at (π, π) is pushed to a higher energy due to the presence of itinerant electrons, which is consistent with the previous study using Holstein-Primakoff transformation. In the non-ordered state, the particle-hole continuum keeps the collective spin excitation near (π, π) at a higher energy even without any C4 symmetry breaking. The implications for the recent neutron scattering measurement at high temperature will be discussed.

  3. Excited States and Absorption Spectra of UF6: A RASPT2 Theoretical Study with Spin-Orbit Coupling.

    PubMed

    Wei, Fan; Wu, Guo-Shi; Schwarz, W H Eugen; Li, Jun

    2011-10-11

    Uranium hexafluoride (UF6) is an important compound in nuclear chemistry. The theoretical investigation of its excited states is difficult due to the large number of uranium valence orbitals and ligand lone pairs. We report here a detailed relativistic quantum chemical investigation of its excited states up to about 10 eV using restricted active space second-order perturbation theory (RASPT2). Scalar and spin-orbit (SO) relativistic effects are treated by a relativistic small-core pseudopotential. The RASPT2/SO results remain moderately accurate when the electrons in the active space are restricted to single and double excitations. All eight major spectral peaks corresponding to ligand-to-metal charge transfer have been reproduced within an accuracy of about 0.2 eV and are tentatively assigned. We find that BLYP-based hybrid density functional with 35% Hartree-Fock exchange well reproduce the excitation energies of UF6. PMID:26598158

  4. Optical spin excitations in quantum spin ladders

    NASA Astrophysics Data System (ADS)

    Simutis, Gediminas; Gvasaliya, Severian; Xiao, Fan; Landee, Christopher; Zheludev, Andrey

    We present a Raman spectroscopy study of magnetic excitations in quantum spin ladders. We start with a strong-rung ladder Cu(Qnx)(Cl1-xBrx)2. It has recently attracted attention due to proposal that the ratio of leg to rung exchange can be varied continuously by substituting Br for Cl. We have measured the Raman spectra for the hole doping series and report on the scattering from two magnons. We extract the onset and cutoff of the scattering for the whole series and compare it to the estimates from previous bulk measurements as well as numerical calculations. We find that the magnetic spectrum indeed varies continuously as the halogen ions are exchanged. The general behavior is found to be consistent with expectations, however small systematic deviations persist. The difference can potentially be explained by the existence of three-dimensional coupling, however more systematic computational studies are needed to ascertain the origin of the inconsistencies. Having established the analysis using the strong rung case, we then turn our attention to other ladder systems. Unusual magnetic signal is found in a strong leg spin ladder, which is discussed in terms of selection rules and an unexpected energy scale.

  5. The first observation of Carbon-13 spin noise spectra

    PubMed Central

    Schlagnitweit, Judith; Müller, Norbert

    2012-01-01

    We demonstrate the first 13C NMR spin noise spectra obtained without any pulse excitation by direct detection of the randomly fluctuating noise from samples in a cryogenically cooled probe. Noise power spectra were obtained from 13C enriched methanol and glycerol samples at 176 MHz without and with 1H decoupling, which increases the sensitivity without introducing radio frequency interference with the weak spin noise. The multiplet amplitude ratios in 1H coupled spectra indicate that, although pure spin noise prevails in these spectra, the influence of absorbed circuit noise is still significant at the high concentrations used. In accordance with the theory heteronuclear Overhauser enhancements are absent from the 1H-decoupled 13C spin noise spectra. PMID:23041799

  6. Spin photocurrent spectra induced by Rashba- and Dresselhaus-type circular photogalvanic effect at inter-band excitation in InGaAs/GaAs/AlGaAs step quantum wells

    PubMed Central

    2014-01-01

    Spin photocurrent spectra induced by Rashba- and Dresselhaus-type circular photogalvanic effect (CPGE) at inter-band excitation have been experimentally investigated in InGaAs/GaAs/AlGaAs step quantum wells (QWs) at room temperature. The Rashba- and Dresselhaus-induced CPGE spectra are quite similar with each other during the spectral region corresponding to the transition of the excitonic state 1H1E (the first valence subband of heavy hole to the first conduction subband of electrons). The ratio of Rashba- and Dresselhaus-induced CPGE current for the transition 1H1E is estimated to be 8.8±0.1, much larger than that obtained in symmetric QWs (4.95). Compared to symmetric QWs, the reduced well width enhances the Dresselhaus-type spin splitting, but the Rashba-type spin splitting increases more rapidly in the step QWs. Since the degree of the segregation effect of indium atoms and the intensity of build-in field in the step QWs are comparable to those in symmetric QWs, as proved by reflectance difference and photoreflectance spectra, respectively, the larger Rashba-type spin splitting is mainly induced by the additional interface introduced by step structures. PMID:24646286

  7. Quadrupolar transients, cosine correlation functions, and two-dimensional exchange spectra of non-selectively excited spin-3/2 nuclei: A 7Li NMR study of the superionic conductor lithium indium phosphate

    NASA Astrophysics Data System (ADS)

    Storek, M.; Böhmer, R.

    2015-11-01

    Cos-cos stimulated echoes of non-selectively excited spin-3/2 nuclei were not exploited in studies of slow motional processes in solids and solid-like samples, so far. Based on a theoretical analysis of the quadrupolar transients which hitherto obviously precluded the application of such echoes, their utility is demonstrated for the example of 7Li NMR on the polycrystalline fast ion conductor lithium indium phosphate. Quadrupolar transients can adversely affect the shape of two- and three-pulse echo spectra and strategies are successfully tested that mitigate their impact. Furthermore, by means of suitably adapted cos-cos echo sequences an effective suppression of central-line contributions to the NMR spectra is achieved. By combining cos-cos and sin-sin datasets static two-dimensional exchange spectra were recorded that display quadrupolarly modulated off-diagonal intensity indicative of ionic motion.

  8. Excitation Spectra of Plane Site Cu Spins of Y0.52Pr0.48Ba2Cu3O7 (T_c≃ 20 K)

    NASA Astrophysics Data System (ADS)

    Kodama, Katsuaki; Shamoto, Shin-ichi; Harashina, Hiroshi; Sato, Masatoshi; Nishi, Masakazu; Kakurai, Kazuhisa

    1994-12-01

    Neutron inelastic scattering measurements have been carried out on Y0.52Pr0.48Ba2Cu3O7 with the superconducting transition temperature T_c≃ 20 K. From the spectral weight function χ''(q, ω) of the Cu-spin excitations in the CuO2 planes, the reduction of the hole-carrier concentration and the degree of the randomness induced by the substitution of Pr for Y are estimated. These results present evidences that the model of a hole-trapping by the hybridized states of the Pr4f and O2pπ orbitals proposed by Fehrenbacher and Rice [Phys. Rev. Lett. 70 (1993) 3471] provides an appropriate explanation of the experimental results associated with the well-known T c-suppression of R1-xPrxBa2Cu3O7 (R=Y or various lanthanide elements) by the Pr-doping.

  9. Nonreciprocal spin wave elementary excitation in dislocated dimerized Heisenberg chains.

    PubMed

    Liu, Wanguo; Shen, Yang; Fang, Guisheng; Jin, Chongjun

    2016-05-18

    A mechanism for realizing nonreciprocal elementary excitation of spin wave (SW) is proposed. We study a reference model which describes a magnonic crystal (MC) formed by two Heisenberg chains with a lateral displacement (dislocation) and a longitudinal spacer, and derive a criterion to judge whether the elementary excitation spectra are reciprocal in this ferromagnetic lattice. An analytical method based on the spin precession equation is used to solve the elementary excitation spectra. The solution is related to a key factor, the spatio-temporal structure factor [Formula: see text], which can be directly calculated through the structural parameters. When it keeps invariant under the reversions of the external magnetic field [Formula: see text] and the dislocation [Formula: see text], or one of them, the spectra are reciprocal. Otherwise, the SW possesses nonreciprocal spectra with direction-dependent band edges and exhibits a directional magnetoresistance effect. This criterion can be regarded as a necessary and sufficient condition for the (non)reciprocity in the spin lattice. Besides, this novel lattice provides a prototype for spin diodes and spin logic gates. PMID:27092428

  10. Nonreciprocal spin wave elementary excitation in dislocated dimerized Heisenberg chains

    NASA Astrophysics Data System (ADS)

    Liu, Wanguo; Shen, Yang; Fang, Guisheng; Jin, Chongjun

    2016-05-01

    A mechanism for realizing nonreciprocal elementary excitation of spin wave (SW) is proposed. We study a reference model which describes a magnonic crystal (MC) formed by two Heisenberg chains with a lateral displacement (dislocation) and a longitudinal spacer, and derive a criterion to judge whether the elementary excitation spectra are reciprocal in this ferromagnetic lattice. An analytical method based on the spin precession equation is used to solve the elementary excitation spectra. The solution is related to a key factor, the spatio-temporal structure factor {θk}≤ft(Δ x,B\\right) , which can be directly calculated through the structural parameters. When it keeps invariant under the reversions of the external magnetic field B and the dislocation Δ x , or one of them, the spectra are reciprocal. Otherwise, the SW possesses nonreciprocal spectra with direction-dependent band edges and exhibits a directional magnetoresistance effect. This criterion can be regarded as a necessary and sufficient condition for the (non)reciprocity in the spin lattice. Besides, this novel lattice provides a prototype for spin diodes and spin logic gates.

  11. Excitation of coherent propagating spin waves by pure spin currents

    NASA Astrophysics Data System (ADS)

    Demidov, Vladislav E.; Urazhdin, Sergei; Liu, Ronghua; Divinskiy, Boris; Telegin, Andrey; Demokritov, Sergej O.

    2016-01-01

    Utilization of pure spin currents not accompanied by the flow of electrical charge provides unprecedented opportunities for the emerging technologies based on the electron's spin degree of freedom, such as spintronics and magnonics. It was recently shown that pure spin currents can be used to excite coherent magnetization dynamics in magnetic nanostructures. However, because of the intrinsic nonlinear self-localization effects, magnetic auto-oscillations in the demonstrated devices were spatially confined, preventing their applications as sources of propagating spin waves in magnonic circuits using these waves as signal carriers. Here, we experimentally demonstrate efficient excitation and directional propagation of coherent spin waves generated by pure spin current. We show that this can be achieved by using the nonlocal spin injection mechanism, which enables flexible design of magnetic nanosystems and allows one to efficiently control their dynamic characteristics.

  12. Excitation of coherent propagating spin waves by pure spin currents.

    PubMed

    Demidov, Vladislav E; Urazhdin, Sergei; Liu, Ronghua; Divinskiy, Boris; Telegin, Andrey; Demokritov, Sergej O

    2016-01-01

    Utilization of pure spin currents not accompanied by the flow of electrical charge provides unprecedented opportunities for the emerging technologies based on the electron's spin degree of freedom, such as spintronics and magnonics. It was recently shown that pure spin currents can be used to excite coherent magnetization dynamics in magnetic nanostructures. However, because of the intrinsic nonlinear self-localization effects, magnetic auto-oscillations in the demonstrated devices were spatially confined, preventing their applications as sources of propagating spin waves in magnonic circuits using these waves as signal carriers. Here, we experimentally demonstrate efficient excitation and directional propagation of coherent spin waves generated by pure spin current. We show that this can be achieved by using the nonlocal spin injection mechanism, which enables flexible design of magnetic nanosystems and allows one to efficiently control their dynamic characteristics. PMID:26818232

  13. Spin wave excitation patterns generated by spin torque oscillators

    NASA Astrophysics Data System (ADS)

    Macià, F.; Hoppensteadt, F. C.; Kent, A. D.

    2014-01-01

    Spin torque nano-oscillators (STNO) are nanoscale devices that can convert a direct current into short wavelength spin wave excitations in a ferromagnetic layer. We show that arrays of STNO can be used to create directional spin wave radiation similarly to electromagnetic antennas. Combining STNO excitations with planar spin waves also creates interference patterns. We show that these interference patterns are static and have information on the wavelength and phase of the spin waves emitted from the STNO. We describe a means of actively controlling spin wave radiation patterns with the direct current flowing through STNO, which is useful in on-chip communication and information processing and could be a promising technique for studying short wavelength spin waves in different materials.

  14. Excitation of coherent propagating spin waves by pure spin currents

    PubMed Central

    Demidov, Vladislav E.; Urazhdin, Sergei; Liu, Ronghua; Divinskiy, Boris; Telegin, Andrey; Demokritov, Sergej O.

    2016-01-01

    Utilization of pure spin currents not accompanied by the flow of electrical charge provides unprecedented opportunities for the emerging technologies based on the electron's spin degree of freedom, such as spintronics and magnonics. It was recently shown that pure spin currents can be used to excite coherent magnetization dynamics in magnetic nanostructures. However, because of the intrinsic nonlinear self-localization effects, magnetic auto-oscillations in the demonstrated devices were spatially confined, preventing their applications as sources of propagating spin waves in magnonic circuits using these waves as signal carriers. Here, we experimentally demonstrate efficient excitation and directional propagation of coherent spin waves generated by pure spin current. We show that this can be achieved by using the nonlocal spin injection mechanism, which enables flexible design of magnetic nanosystems and allows one to efficiently control their dynamic characteristics. PMID:26818232

  15. Spin-wave multiple excitations in nanoscale classical Heisenberg antiferromagnets

    DOE PAGESBeta

    Hou, Zhuofei; Landau, David P; Stocks, George Malcolm; Brown, G.

    2015-01-01

    Monte Carlo and spin dynamics techniques have been used to perform large-scale simulations of the dynamic behavior of a nanoscale, classical, Heisenberg antiferromagnet on a simple-cubic latticewith linear sizesL 40 at a temperature below the N eel temperature. Nanoparticles are modeled with completely free boundary conditions, i.e., six free surfaces, and nanofilms are modeled with two free surfaces in the spatial z direction and periodic boundaries parallel to the surfaces in the xy direction, which are compared to the infinite system with periodic boundary conditions. The temporal evolutions of spin configurations were determined numerically from coupled equations of motion formore » individual spins using a fast spin dynamics algorithm with the fourth-order Suzuki-Trotter decomposition of exponential operators, with initial spin configurations generated by Monte Carlo simulations. The local dynamic structure factor S(q, ) was calculated from the local space- and time-displaced spin-spin correlation function. Multiple excitation peaks for wave vectors within the first Brillouin zone appear in the spin-wave spectra of the transverse component of dynamic structure factor ST (q, ) in the nanoscale classical Heisenberg antiferromagnet, which are lacking if periodic boundary conditions are used. With the assumption of q-space spin-wave reflections with broken momentum conservation due to free-surface confinements, we successfully explained those spectra quantitatively in the linear dispersion region. Meanwhile, we also observed two unexpected quantized spin-wave excitation modes in the spatial z direction in nanofilms for ST (q, ) not expected in bulk systems. The results of this study indicate the presence of unexpected forms of spin-wave excitation behavior that have yet to be observed experimentally but could be directly tested through neutron scattering experiments on nanoscale RbMnF3 particles or films.« less

  16. Spin-wave multiple excitations in nanoscale classical Heisenberg antiferromagnets

    SciTech Connect

    Hou, Zhuofei; Landau, David P; Stocks, George Malcolm; Brown, G.

    2015-01-01

    Monte Carlo and spin dynamics techniques have been used to perform large-scale simulations of the dynamic behavior of a nanoscale, classical, Heisenberg antiferromagnet on a simple-cubic latticewith linear sizesL 40 at a temperature below the N eel temperature. Nanoparticles are modeled with completely free boundary conditions, i.e., six free surfaces, and nanofilms are modeled with two free surfaces in the spatial z direction and periodic boundaries parallel to the surfaces in the xy direction, which are compared to the infinite system with periodic boundary conditions. The temporal evolutions of spin configurations were determined numerically from coupled equations of motion for individual spins using a fast spin dynamics algorithm with the fourth-order Suzuki-Trotter decomposition of exponential operators, with initial spin configurations generated by Monte Carlo simulations. The local dynamic structure factor S(q, ) was calculated from the local space- and time-displaced spin-spin correlation function. Multiple excitation peaks for wave vectors within the first Brillouin zone appear in the spin-wave spectra of the transverse component of dynamic structure factor ST (q, ) in the nanoscale classical Heisenberg antiferromagnet, which are lacking if periodic boundary conditions are used. With the assumption of q-space spin-wave reflections with broken momentum conservation due to free-surface confinements, we successfully explained those spectra quantitatively in the linear dispersion region. Meanwhile, we also observed two unexpected quantized spin-wave excitation modes in the spatial z direction in nanofilms for ST (q, ) not expected in bulk systems. The results of this study indicate the presence of unexpected forms of spin-wave excitation behavior that have yet to be observed experimentally but could be directly tested through neutron scattering experiments on nanoscale RbMnF3 particles or films.

  17. Spin-wave multiple excitations in nanoscale classical Heisenberg antiferromagnets

    NASA Astrophysics Data System (ADS)

    Hou, Zhuofei; Landau, D. P.; Stocks, G. M.; Brown, G.

    2015-02-01

    Monte Carlo and spin dynamics techniques have been used to perform large-scale simulations of the dynamic behavior of a nanoscale, classical, Heisenberg antiferromagnet on a simple-cubic lattice with linear sizes L ⩽40 at a temperature below the Néel temperature. Nanoparticles are modeled with completely free boundary conditions, i.e., six free surfaces, and nanofilms are modeled with two free surfaces in the spatial z direction and periodic boundaries parallel to the surfaces in the x y direction, which are compared to the "infinite" system with periodic boundary conditions. The temporal evolutions of spin configurations were determined numerically from coupled equations of motion for individual spins using a fast spin dynamics algorithm with the fourth-order Suzuki-Trotter decomposition of exponential operators, with initial spin configurations generated by Monte Carlo simulations. The local dynamic structure factor S (q ,ω ) was calculated from the local space- and time-displaced spin-spin correlation function. Multiple excitation peaks for wave vectors within the first Brillouin zone appear in the spin-wave spectra of the transverse component of dynamic structure factor ST(q ,ω ) in the nanoscale classical Heisenberg antiferromagnet, which are lacking if periodic boundary conditions are used. With the assumption of q -space spin-wave reflections with broken momentum conservation due to free-surface confinements, we successfully explained those spectra quantitatively in the linear dispersion region. Meanwhile, we also observed two unexpected quantized spin-wave excitation modes in the spatial z direction in nanofilms for ST(q ,ω ) not expected in bulk systems. The results of this study indicate the presence of unexpected forms of spin-wave excitation behavior that have yet to be observed experimentally but could be directly tested through neutron scattering experiments on nanoscale RbMnF3 particles or films.

  18. Spin-wave excitations in arrays of asymmetric ferromagnetic nanorings

    NASA Astrophysics Data System (ADS)

    Nguyen, T. M.; Cottam, M. G.

    2008-04-01

    Calculations are reported for the spin-wave excitations in asymmetric ferromagnetic nanorings using a Hamiltonian-based formalism. Both the exchange and dipole-dipole interactions are included, as well as an external magnetic field and single-ion anisotropy. The equilibrium configurations of the nanorings are found by minimizing numerically the energy functional with respect to the spin orientation. Depending on the geometry, particularly the degree of asymmetry and the in-plane applied magnetic field, the nanorings can be in a vortex, onion, or other inhomogeneous state. Spin-dependent Green's functions are calculated to deduce the dispersion spectra and the mode profiles of the spin waves, and the dependence of the spin-wave properties on the asymmetry factor is studied. The effects of inter-ring dipolar coupling on the spin-wave spectrum are also investigated by considering small arrays (e.g., a 3×3 square array) of nanorings.

  19. Excitations in the chiral spin liquid

    NASA Astrophysics Data System (ADS)

    Schroeter, Darrell

    2009-03-01

    Recently, a spin-Hamiltonian was presented [Schroeter et al, Phys. Rev. Lett. 99, 097202 (2007)] for which the chiral spin liquid is the exact ground state. This poster will present a numerical study of the excitations of the model, including results obtained by exact diagonalization of the model on 16 and 25-site lattices.

  20. Dynamical analysis of highly excited molecular spectra

    SciTech Connect

    Kellman, M.E.

    1993-12-01

    The goal of this program is new methods for analysis of spectra and dynamics of highly excited vibrational states of molecules. In these systems, strong mode coupling and anharmonicity give rise to complicated classical dynamics, and make the simple normal modes analysis unsatisfactory. New methods of spectral analysis, pattern recognition, and assignment are sought using techniques of nonlinear dynamics including bifurcation theory, phase space classification, and quantization of phase space structures. The emphasis is chaotic systems and systems with many degrees of freedom.

  1. Dynamic control of spin wave spectra using spin-polarized currents

    SciTech Connect

    Wang, Qi; Zhang, Huaiwu Tang, Xiaoli; Bai, Feiming; Zhong, Zhiyong; Fangohr, Hans

    2014-09-15

    We describe a method of controlling the spin wave spectra dynamically in a uniform nanostripe waveguide through spin-polarized currents. A stable periodic magnetization structure is observed when the current flows vertically through the center of nanostripe waveguide. After being excited, the spin wave is transmitted at the sides of the waveguide. Numerical simulations of spin-wave transmission and dispersion curves reveal a single, pronounced band gap. Moreover, the periodic magnetization structure can be turned on and off by the spin-polarized current. The switching process from full rejection to full transmission takes place within less than 3 ns. Thus, this type magnonic waveguide can be utilized for low-dissipation spin wave based filters.

  2. Magnetic Excitation for Spin Vibration Testing

    NASA Technical Reports Server (NTRS)

    Johnson, Dexter; Mehmed, Oral; Brown, Gerald V.

    1997-01-01

    The Dynamic Spin Rig Laboratory (DSRL) at the NASA Lewis Research Center is a facility used for vibration testing of structures under spinning conditions. The current actuators used for excitation are electromagnetic shakers which are configured to apply torque to the rig's vertical rotor. The rotor is supported radially and axially by conventional bearings. Current operation is limited in rotational speed, excitation capability, and test duration. In an effort to enhance its capabilities, the rig has been initially equipped with a radial magnetic bearing which provides complementary excitation and shaft support. The new magnetic feature has been used in actual blade vibration tests and its performance has been favorable. Due to the success of this initial modification further enhancements are planned which include making the system fully magnetically supported. This paper reports on this comprehensive effort to upgrade the DSRL with an emphasis on the new magnetic excitation capability.

  3. Low-spin excitations in 100Pd

    NASA Astrophysics Data System (ADS)

    Radeck, D.; Albers, M.; Bernards, C.; Bettermann, L.; Blazhev, A.; Fransen, C.; Heinze, S.; Jolie, J.; Mü; cher, D.

    2009-01-01

    In recent years collectivity in the mass region around A = 100 has become the focus of increased interest. The N = 52 isotones were investigated in detail and phonon excitations -especially one- and two-phonon mixed-symmetry states—were identified. In order to investigate how vibrator-like behavior and states with mixed-symmetry character evolve with increasing neutron number it is interesting to study the N = 54 isotones. Therefore an experiment to measure the low-spin excitations of 100Pd was performed at the FN-Tandem accelerator with the HORUS cube spectrometer. Besides the determination of excitation and transition energies and branching ratios, spins and multipole mixing ratios resulted from the γγ angular correlation analysis. The newly gained data were compared with predictions from theory both from collective models and from shell model.

  4. Spin voltage generation through optical excitation of complementary spin populations.

    PubMed

    Bottegoni, Federico; Celebrano, Michele; Bollani, Monica; Biagioni, Paolo; Isella, Giovanni; Ciccacci, Franco; Finazzi, Marco

    2014-08-01

    By exploiting the spin degree of freedom of carriers inside electronic devices, spintronics has a huge potential for quantum computation and dissipationless interconnects. Pure spin currents in spintronic devices should be driven by a spin voltage generator, able to drive the spin distribution out of equilibrium without inducing charge currents. Ideally, such a generator should operate at room temperature, be highly integrable with existing semiconductor technology, and not interfere with other spintronic building blocks that make use of ferromagnetic materials. Here we demonstrate a device that matches these requirements by realizing the spintronic equivalent of a photovoltaic generator. Whereas a photovoltaic generator spatially separates photoexcited electrons and holes, our device exploits circularly polarized light to produce two spatially well-defined electron populations with opposite in-plane spin projections. This is achieved by modulating the phase and amplitude of the light wavefronts entering a semiconductor (germanium) with a patterned metal overlayer (platinum). The resulting light diffraction pattern features a spatially modulated chirality inside the semiconductor, which locally excites spin-polarized electrons thanks to electric dipole selection rules. PMID:24952750

  5. Theory for magnetic excitations in quantum spin ice

    NASA Astrophysics Data System (ADS)

    Onoda, Shigeki; Datta, Trinanjan

    Magnetic excitations in magnetic rare-earth pyrochlore oxides called quantum spin ice (QSI) systems such as Yb2Ti2O7, Pr2Zr2O7, and Tb2Ti2O7 have attracted great interest for possible observations of the quantum dynamics of spin ice monopoles and emergent photon excitations. However, their spectral properties remain open especially for cases relevant to experimental systems. Here, we develop a theoretical framework that incorporates gauge fluctuations into a modified gauge mean-field approach, so that it reproduces key features of recent quantum Monte-Carlo results on the double broad specific heat in the simplest QSI model and can describe a continuous growth of a coherence in gauge-field correlations on cooling down to Coulomb-phase ground states. Using this new approach, we provide a theory for magnetic neutron-scattering spectra. It is found that spin-flip exchange interactions produce dispersive QSI monopole excitations which create a particle-hole continuum neutron-scattering spectrum. Gauge fluctuations give multi-particle contributions to the spectrum, which will be possibly detected in Higgs phases.

  6. Lattice, spin, and charge excitations in cuprates

    NASA Astrophysics Data System (ADS)

    Lee, Wei-Sheng

    2014-03-01

    Tracking doping evolution of elementary excitations is a crucial approach to understand the complex phenomena exhibited in cuprates. In the first part of my talk, I will discuss the role of the lattice in the quasi-one-dimensional edge-sharing cuprate Y2+xCa2-xCu5O10. Using O K-edge RIXS, we resolve site-dependent harmonic phonon excitations of a 70 meV mode. Coupled with theory, this provides a direct measurement of electron-lattice coupling strength. We show that such electron-lattice coupling causes doping-dependent distortions of the Cu-O-Cu bond angle, which sets the intra-chain spin exchange interactions. In the second part of my talk, I will discuss collective excitations in the electron-doped superconducting cuprate, Nd2-xCexCuO4 observed using Cu L-edge RIXS. Surprisingly, despite the fact that the spin stiffness is zero and the AFM correlations are short-ranged, magnetic excitations harden significantly across the AFM-HTSC phase boundary, in stark contrast with the hole-doped cuprates. Furthermore, we found an unexpected and highly dispersive mode emanating from the zone center in superconducting NCCO that is undetected in the hole-doped compounds. This may signal a quantum phase distinct from superconductivity. Thus, our results indicate an asymmetry of the collective excitations in electron- and hole-doped cuprates, providing a new perspective on the doping evolution of the cuprate ground state. This work is supported by DOE Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract DE-AC02-76SF00515.

  7. Spin-flavor composition of excited baryons

    NASA Astrophysics Data System (ADS)

    Fernando, Ishara; Goity, Jose

    2015-10-01

    The excited baryon masses are analyzed in the framework of the 1 /Nc expansion using the available physical masses and also the masses obtained in lattice QCD for different quark masses. The baryon states are organized into irreducible representations of SU (6) × O (3) , where the [ 56 ,lP =0+ ] ground state and excited baryons, and the [ 56 ,2+ ] and [ 70 ,1- ] excited states are analyzed. The analyses are carried out to O 1 /Nc and first order in the quark masses. The issue of state identifications is discussed. Numerous parameter independent mass relations result at those orders, among them the well known Gell-Mann-Okubo and Equal Spacing relations, as well as additional relations involving baryons with different spins. It is observed that such relations are satisfied at the expected level of precision. Predictions for physically unknown states for each multiplet are obtained. From the quark-mass dependence of the coefficients in the baryon mass formulas an increasingly simpler picture of the spin-flavor composition of the baryons is observed with increasing pion mass (equivalently, increasing mu , d masses), as measured by the number of significant mass operators. This work was supported in part by DOE Contract No. DE-AC05-06OR23177 under which JSA operates the Thomas Jefferson National Accelerator Facility (J. L. G.), and by the NSF (USA) through Grant PHY-0855789 and PHY-1307413 (I. P. F and J. L. G).

  8. Inverse spin-Hall effect voltage generation by nonlinear spin-wave excitation

    NASA Astrophysics Data System (ADS)

    Feiler, Laura; Sentker, Kathrin; Brinker, Manuel; Kuhlmann, Nils; Stein, Falk-Ulrich; Meier, Guido

    2016-02-01

    We investigate spin currents in microstructured permalloy/platinum bilayers that are excited via magnetic high-frequency fields. Due to this excitation spin pumping occurs at the permalloy/platinum interface and a spin current is injected into the platinum layer. The spin current is detected as a voltage via the inverse spin-Hall effect. We find two regimes reflected by a nonlinear, abrupt voltage surge, which is reproducibly observed at distinct excitation field strengths. Micromagnetic simulations suggest that the surge is caused by excitation of a spin-wave-like mode. The comparatively large voltages reveal a highly efficient spin-current generation method in a mesoscopic spintronic device.

  9. Spin excitations in hole-overdoped iron-based superconductors.

    PubMed

    Horigane, K; Kihou, K; Fujita, K; Kajimoto, R; Ikeuchi, K; Ji, S; Akimitsu, J; Lee, C H

    2016-01-01

    Understanding the overall features of magnetic excitation is essential for clarifying the mechanism of Cooper pair formation in iron-based superconductors. In particular, clarifying the relationship between magnetism and superconductivity is a central challenge because magnetism may play a key role in their exotic superconductivity. BaFe2As2 is one of ideal systems for such investigation because its superconductivity can be induced in several ways, allowing a comparative examination. Here we report a study on the spin fluctuations of the hole-overdoped iron-based superconductors Ba1-xKxFe2As2 (x = 0.5 and 1.0; Tc = 36 K and 3.4 K, respectively) over the entire Brillouin zone using inelastic neutron scattering. We find that their spin spectra consist of spin wave and chimney-like dispersions. The chimney-like dispersion can be attributed to the itinerant character of magnetism. The band width of the spin wave-like dispersion is almost constant from the non-doped to optimum-doped region, which is followed by a large reduction in the overdoped region. This suggests that the superconductivity is suppressed by the reduction of magnetic exchange couplings, indicating a strong relationship between magnetism and superconductivity in iron-based superconductors. PMID:27615691

  10. Spectra from nuclear-excited plasmas

    NASA Technical Reports Server (NTRS)

    De Young, R. J.; Weaver, W. R.

    1980-01-01

    The paper discusses the spectra taken from He-3(n,p)H-3 nuclear-induced plasmas under high thermal neutron flux, lasing conditions. Also, initial spectra are presented for U-235F6 generated plasmas. From an evaluation of these spectra, important atomic and molecular processes that occur in the plasma can be inferred. The spectra presented are the first to be generated by He-3 and U-235F6 nuclear reactions under high neutron flux, lasing conditions. The U-235(n,ff)FF reaction, which liberates 165 MeV of fission-fragment kinetic energy, creates plasmas that are of great interest, since at sufficiently high densities of U-235F6 the gas becomes self-critical; thus, there is no need for an external driving reactor (source of neutrons). The spectra from mixtures of He-3 and Ar, Xe, Kr, Ne, Cl2, F2 and N2 indicate little difference between high-pressure nuclear-induced plasmas and high-pressure electrically pulsed afterglow plasmas for noble-gas systems

  11. Disorder, cluster spin glass, and hourglass spectra in striped magnetic insulators.

    PubMed

    Andrade, Eric C; Vojta, Matthias

    2012-10-01

    Hourglass-shaped magnetic excitation spectra have been detected in a variety of doped transition-metal oxides with stripelike charge order. Compared to the predictions of spin-wave theory for perfect stripes, these spectra display a different intensity distribution and anomalous broadening. Here we show, based on a comprehensive modeling for La5/3Sr1/3CoO4, how quenched disorder in the charge sector causes frustration, and consequently cluster-glass behavior at low temperatures, in the spin sector. This spin-glass physics, which is insensitive to the detailed nature of the charge disorder, but sensitive to the relative strength of the magnetic interstripe coupling, ultimately determines the distribution of magnetic spectral weight: The excitation spectrum, calculated using spin waves in finite disordered systems, is found to match in detail the observed hour-glass spectrum. PMID:23083273

  12. Low energy spin excitations in chromium metal

    SciTech Connect

    Pynn, R.; Azuah, R.T.; Stirling, W.G.; Kulda, J.

    1997-12-31

    Neutron scattering experiments with full polarization analysis have been performed with a single crystal of chromium to study the low-energy spin fluctuations in the transverse spin density wave (TSDW) state. A number of remarkable results have been found. Inelastic scattering observed close to the TSDW satellite positions at (1 {+-} {delta},0,0) does not behave as expected for magnon scattering. In particular, the scattering corresponds to almost equally strong magnetization fluctuations both parallel and perpendicular to the ordered moments of the TSDW phase. As the Neel temperature is approached from below, scattering at the commensurate wavevector (1,0,0) increases in intensity as a result of critical scattering at silent satellites (1,0, {+-} {delta}) being included within the spectrometer resolution function. This effect, first observed by Sternlieb et al, does not account for all of the inelastic scattering around the (1,0,0) position, however, Rather, there are further collective excitations, apparently emanating from the TSDW satellites, which correspond to magnetic fluctuations parallel to the ordered TSDW moments. These branches have a group velocity that is close to that of (1,0,0) longitudinal acoustic (LA) phonons, but assigning their origin to magneto-elastic scattering raises other unanswered questions.

  13. Collective excitation spectra of transitional even nuclei

    SciTech Connect

    Quentin, P. Paris-11 Univ., 91 - Orsay . Centre de Spectrometrie Nucleaire et de Spectrometrie de Masse); Deloncle, I.; Libert, J. . Centre de Spectrometrie Nucleaire et de Spectrometrie de Masse); Sauvage, J. . Inst. de Physique Nucleaire)

    1990-11-06

    This talk is dealing with the nuclear low energy collective motion as described in the context of microscopic versions of the Bohr Hamiltonian. Two different ways of building microscopically Bohr collective Hamiltonians will be sketched; one within the framework of the Generator Coordinate Method, the other using the Adiabatic Time-Dependent Hartree-Fock-Boholyubov approximation. A sample of recent results will be presented which pertains to the description of transitional even nuclei and to the newly revisited phenomenon of superdeformation at low spin.

  14. On the particle excitations in the XXZ spin chain

    NASA Astrophysics Data System (ADS)

    Ovchinnikov, A. A.

    2013-12-01

    We continue to study the excited states for the XXZ spin chain corresponding to the complex roots of the Bethe Ansatz equations with the imaginary part equal to π/2. We propose the particle-hole symmetry which relates the eigenstates build up from the two different pseudovacuum states. We find the XXX spin chain limit for the eigenstates with the complex roots. We also comment on the low-energy excited states for the XXZ spin chain.

  15. Excitation of plasmons in Ag/Fe/W structure by spin-polarized electrons

    SciTech Connect

    Samarin, Sergey N.; Kostylev, Mikhail; Williams, J. F.; Artamonov, Oleg M.; Baraban, Alexander P.; Guagliardo, Paul

    2015-09-07

    Using Spin-polarized Electron-Energy Loss Spectroscopy (SPEELS), the plasmon excitations were probed in a few atomic layers thick Ag film deposited on an Fe layer or on a single crystal of W(110). The measurements were performed at two specular geometries with either a 25° or 72° angle of incidence. On a clean Fe layer (10 atomic layers thick), Stoner excitation asymmetry was observed, as expected. Deposition of a silver film on top of the Fe layer dramatically changed the asymmetry of the SPEELS spectra. The spin-effect depends on the kinematics of the scattering: angles of incidence and detection. The spin-dependence of the plasmon excitations in the silver film on the W(110) surface and on the ferromagnetic Fe film is suggested to arise from the spin-active Ag/W or Ag/Fe interfaces.

  16. Nonlinear spin-wave excitations at low magnetic bias fields

    PubMed Central

    Bauer, Hans G.; Majchrak, Peter; Kachel, Torsten; Back, Christian H.; Woltersdorf, Georg

    2015-01-01

    Nonlinear magnetization dynamics is essential for the operation of numerous spintronic devices ranging from magnetic memory to spin torque microwave generators. Examples are microwave-assisted switching of magnetic structures and the generation of spin currents at low bias fields by high-amplitude ferromagnetic resonance. Here we use X-ray magnetic circular dichroism to determine the number density of excited magnons in magnetically soft Ni80Fe20 thin films. Our data show that the common model of nonlinear ferromagnetic resonance is not adequate for the description of the nonlinear behaviour in the low magnetic field limit. Here we derive a model of parametric spin-wave excitation, which correctly predicts nonlinear threshold amplitudes and decay rates at high and at low magnetic bias fields. In fact, a series of critical spin-wave modes with fast oscillations of the amplitude and phase is found, generalizing the theory of parametric spin-wave excitation to large modulation amplitudes. PMID:26374256

  17. Spin excitations in antiferromagnetic metallic phase of iron pnictides analyzed with a five-band itinerant model

    NASA Astrophysics Data System (ADS)

    Kaneshita, Eiji; Tohyama, Takami

    2011-03-01

    We investigate the spin wave excitation in the metallic antiferromagnetic phase of iron pnictide superconductors based on calculated neutron scattering spectra by mean-field calculations with a random phase approximation in a five-band itinerant model [E.K. & T.T., RPB 82, 094441 (2010)]. The calculated excitation spectra reproduce well spin-wave dispersions observed in inelastic neutron scattering, with a realistic magnetic moment for CaFe 2 As 2 . A particle-hole gap is found to be crucial to obtain consistent results; we predict the spin wave in LaFeAsO disappears at a lower energy than in CaFe 2 As 2 .

  18. Nonlinear analysis of magnetization dynamics excited by spin Hall effect

    NASA Astrophysics Data System (ADS)

    Taniguchi, Tomohiro

    2015-03-01

    We investigate the possibility of exciting self-oscillation in a perpendicular ferromagnet by the spin Hall effect on the basis of a nonlinear analysis of the Landau-Lifshitz-Gilbert (LLG) equation. In the self-oscillation state, the energy supplied by the spin torque during a precession on a constant energy curve should equal the dissipation due to damping. Also, the current to balance the spin torque and the damping torque in the self-oscillation state should be larger than the critical current to destabilize the initial state. We find that these conditions in the spin Hall system are not satisfied by deriving analytical solutions of the energy supplied by the spin transfer effect and the dissipation due to the damping from the nonlinear LLG equation. This indicates that the self-oscillation of a perpendicular ferromagnet cannot be excited solely by the spin Hall torque.

  19. Excitations from a chiral magnetized state of a frustrated quantum spin liquid

    SciTech Connect

    Garlea, Vasile O; Zheludev, Andrey I; Tsvelik, A.; Regnault, L.-P.; Habicht, Klaus; Kiefer, K.; Roessli, Bertrand

    2009-01-01

    We study excitations in weakly interacting pairs of quantum spin ladders coupled through geometrically frustrated bonds. The ground state is a disordered spin liquid, at high fields replaced by an ordered chiral helimagnetic phase. The spectra observed by high-field inelastic neutron scattering experiments on the prototype compound Sul Cu2Cl4 are qualitatively different from those in the previously studied frustration-free spin liquids. Beyond the critical field Hc = 3.7 T, the soft mode that drives the quantum phase transition spawns two separate excitations: a gapless Goldstone mode and a massive magnon. Additional massive quasiparticles are clearly visible below Hc, but are destroyed in the ordered phase. In their place one observes a sharply bound excitation continuum.

  20. Spin-wave modes and their intense excitation effects in Skyrmion crystals.

    PubMed

    Mochizuki, Masahito

    2012-01-01

    We theoretically study spin-wave modes and their intense excitations activated by microwave magnetic fields in the Skyrmion-crystal phase of insulating magnets by numerically analyzing a two-dimensional spin model using the Landau-Lifshitz-Gilbert equation. Two peaks of spin-wave resonances with frequencies of ∼1  GHz are found for in-plane ac magnetic field where distribution of the out-of-plane spin components circulates around each Skyrmion core. Directions of the circulations are opposite between these two modes, and hence the spectra exhibit a salient dependence on the circular polarization of irradiating microwave. A breathing-type mode is also found for an out-of-plane ac magnetic field. By intensively exciting these collective modes, melting of the Skyrmion crystal accompanied by a redshift of the resonant frequency is achieved within nanoseconds. PMID:22304290

  1. Non-compact local excitations in spin-glasses

    NASA Astrophysics Data System (ADS)

    Lamarcq, J.; Bouchaud, J.-P.; Martin, O. C.; Mézard, M.

    2002-05-01

    We study numerically the local low-energy excitations in the 3d Edwards-Anderson model for spin-glasses. Given the ground state, we determine the lowest-lying connected cluster of flipped spins with a fixed volume containing one given spin. These excitations are not compact, having a fractal dimension close to two, suggesting an analogy with lattice animals. Also, their energy does not grow with their size; the associated exponent is slightly negative whereas the one for compact clusters is positive. These findings call for a modification of the basic hypotheses underlying the droplet model.

  2. Nonlinear spin-wave excitations at low magnetic bias fields

    NASA Astrophysics Data System (ADS)

    Woltersdorf, Georg

    We investigate experimentally and theoretically the nonlinear magnetization dynamics in magnetic films at low magnetic bias fields. Nonlinear magnetization dynamics is essential for the operation of numerous spintronic devices ranging from magnetic memory to spin torque microwave generators. Examples are microwave-assisted switching of magnetic structures and the generation of spin currents at low bias fields by high-amplitude ferromagnetic resonance. In the experiments we use X-ray magnetic circular dichroism to determine the number density of excited magnons in magnetically soft Ni80Fe20 thin films. Our data show that the common Suhl instability model of nonlinear ferromagnetic resonance is not adequate for the description of the nonlinear behavior in the low magnetic field limit. Here we derive a model of parametric spin-wave excitation, which correctly predicts nonlinear threshold amplitudes and decay rates at high and at low magnetic bias fields. In fact, a series of critical spin-wave modes with fast oscillations of the amplitude and phase is found, generalizing the theory of parametric spin-wave excitation to large modulation amplitudes. For these modes, we also find pronounced frequency locking effects that may be used for synchronization purposes in magnonic devices. By using this effect, effective spin-wave sources based on parametric spin-wave excitation may be realized. Our results also show that it is not required to invoke a wave vector-dependent damping parameter in the interpretation of nonlinear magnetic resonance experiments performed at low bias fields.

  3. Excitations of the spin-density wave in pure chromium

    SciTech Connect

    Werner, S.A.; Shirane, G.; Fincher, C.R.; Grier, B.H.

    1981-01-01

    This paper summarizes recent investigations of the magnetic excitations of the spin density wave (SDW) in pure Cr in both the low temperature longitudinally polarized phase (T < 122K) and in the higher temperature transversely polarized phase (122K < T < 312K). In both phases spin wave modes of very high velocity are observed originating from the incommensurate Bragg points. In the transversely polarized SDW phase new additional excitations are observed, centered in reciprocal space at the (1,0,0) commensurate point. These excitations are not affected by a magnetic field. Inelastic scattering in the paramagnetic phase above the Neel point (312K) is observed in a reasonably well localized region of reciprocal space near (1,0,0) indicating that there are spin-spin correlations extending over many bcc unit cells and persisting to temperatures at least as high as 1.7 T/sub N/.

  4. First-principles Calculation of Excited State Spectra in QCD

    SciTech Connect

    Jozef Dudek,Robert Edwards,Michael Peardon,David Richards,Christopher Thomas

    2011-05-01

    Recent progress at understanding the excited state spectra of mesons and baryons is described. I begin by outlining the application of the variational method to compute the spectrum of QCD, and then present results for the excited meson spectrum, with continuum quantum numbers of the states clearly delineated. I emphasise the need to extend the calculation to encompass multi-hadron contributions, and describe a recent calculation of the I=2 pion-pion energy-dependent phase shifts as a precursor to the study of channels with resonant behavior. I conclude with recent results for the low lying baryon spectrum, and the prospects for future calculations.

  5. First-principles Calculation of Excited State Spectra in QCD

    SciTech Connect

    Dudek, Jozef J.; Edwards, Robert G.; Richards, David G.; Thomas, Christopher E.; Peardon, Michael J.

    2011-05-24

    Recent progress at understanding the excited state spectra of mesons and baryons is described. I begin by outlining the application of the variational method to compute the spectrum of QCD, and then present results for the excited meson spectrum, with continuum quantum numbers of the states clearly delineated. I emphasise the need to extend the calculation to encompass multi-hadron contributions, and describe a recent calculation of the I = 2{pi}{pi} energy-dependent phase shifts as a precursor to the study of channels with resonant behavior. I conclude with recent results for the low lying baryon spectrum, and the prospects for future calculations.

  6. Spin radical enhanced magnetocapacitance effect in intermolecular excited states.

    PubMed

    Zang, Huidong; Wang, Jianguo; Li, Mingxing; He, Lei; Liu, Zitong; Zhang, Deqing; Hu, Bin

    2013-11-14

    This article reports the magnetocapacitance effect (MFC) based on both pristine polymer MEH-PPV and its composite system doped with spin radicals (6R-BDTSCSB). We observed that a photoexcitation leads to a significant positive MFC in the pristine MEH-PPV. Moreover, we found that a low doping of spin radicals in polymer MEH-PPV causes a significant change on the MFC signal: an amplitude increase and a line-shape narrowing under light illumination at room temperature. However, no MFC signal was observed under dark conditions in either the pristine MEH-PPV or the radical-doped MEH-PPV. Furthermore, the magnitude increase and line-shape narrowing caused by the doped spin radicals are very similar to the phenomena induced by increasing the photoexcitation intensity. Our studies suggest that the MFC is essentially originated from the intermolecular excited states, namely, intermolecular electron-hole pairs, generated by a photoexcitation in the MEH-PPV. More importantly, by comparing the effects of spin radicals and electrically polar molecules on the MFC magnitude and line shape, we concluded that the doped spin radicals can have the spin interaction with intermolecular excited states and consequently affect the internal spin-exchange interaction within intermolecular excited states in the development of MFC. Clearly, our experimental results indicate that dispersing spin radicals forms a convenient method to enhance the magnetocapacitance effect in organic semiconducting materials. PMID:24144347

  7. Excitations in a Four-Leg Antiferromagnetic Heisenberg Spin Tube,

    SciTech Connect

    Garlea, Vasile O; Zheludev, Andrey I; Regnault, L.-P.; Chung, J.-H.; Qiu, Y.; Boehm, Martin; Habicht, Klaus; Meissner, Michael; Fernandez-Baca, Jaime A

    2008-01-01

    Inelastic neutron scattering is used to investigate magnetic excitations in the quasi-one-dimensional quantum spin-liquid system Cu2Cl4 D8C4SO2. Contrary to previously conjectured models that relied on bond-alternating nearest-neighbor interactions in the spin chains, the dominant interactions are actually next-nearest-neighbor in-chain antiferromagnetic couplings. The appropriate Heisenberg Hamiltonian is equivalent to that of a S 1=2 4-leg spin-tube with almost perfect one dimensionality and no bond alternation. A partial geometric frustration of rung interactions induces a small incommensurability of short-range spin correlations.

  8. Excitations in a four-leg antiferromagnetic Heisenberg spin tube

    SciTech Connect

    Garlea, Vasile O; Zheludev, Andrey I; Regnault, L.-P.; Chung, J.-H.; Qiu, Y.; Boehm, Martin; Habicht, Klaus; Meissner, Michael

    2008-01-01

    Inelastic neutron scattering is used to investigate magnetic excitations in the quasi-one-dimensional quantum spin-liquid system Cu$_2$Cl$_{4}\\cdot$ D$_8$C$_4$SO$_2$. Contrary to previously conjectured models that relied on bond-alternating nearest neighbor interactions in the spin chains, the dominant interactions are actually next-nearest-neighbor in-chain antiferromagnetic couplings. The appropriate Heisenberg Hamiltonian is equivalent to that of a $S=1/2$ 4-leg spin-tube with almost perfect one dimensionality and no bond alternation. A partial geometric frustration of rung interactions induces a small incommensurability of short-range spin correlations.

  9. Excitation Spectra and Brightness Optimization of Two-Photon Excited Probes

    PubMed Central

    Mütze, Jörg; Iyer, Vijay; Macklin, John J.; Colonell, Jennifer; Karsh, Bill; Petrášek, Zdeněk; Schwille, Petra; Looger, Loren L.; Lavis, Luke D.; Harris, Timothy D.

    2012-01-01

    Two-photon probe excitation data are commonly presented as absorption cross section or molecular brightness (the detected fluorescence rate per molecule). We report two-photon molecular brightness spectra for a diverse set of organic and genetically encoded probes with an automated spectroscopic system based on fluorescence correlation spectroscopy. The two-photon action cross section can be extracted from molecular brightness measurements at low excitation intensities, while peak molecular brightness (the maximum molecular brightness with increasing excitation intensity) is measured at higher intensities at which probe photophysical effects become significant. The spectral shape of these two parameters was similar across all dye families tested. Peak molecular brightness spectra, which can be obtained rapidly and with reduced experimental complexity, can thus serve as a first-order approximation to cross-section spectra in determining optimal wavelengths for two-photon excitation, while providing additional information pertaining to probe photostability. The data shown should assist in probe choice and experimental design for multiphoton microscopy studies. Further, we show that, by the addition of a passive pulse splitter, nonlinear bleaching can be reduced—resulting in an enhancement of the fluorescence signal in fluorescence correlation spectroscopy by a factor of two. This increase in fluorescence signal, together with the observed resemblance of action cross section and peak brightness spectra, suggests higher-order photobleaching pathways for two-photon excitation. PMID:22385865

  10. Collective spin excitations in 2D paramagnet with dipole interaction

    NASA Astrophysics Data System (ADS)

    Tsiberkin, Kirill

    2016-02-01

    The collective spin excitations in the unbounded 2D paramagnetic system with dipole interactions are studied. The model Hamiltonian includes Zeeman energy and dipole interaction energy, while the exchange vanishes. The system is placed into a constant uniform magnetic field which is orthogonal to the lattice plane. It provides the equilibrium state with spin ordering along the field direction, and the saturation is reached at zero temperature. We consider the deviations of spin magnetic moments from its equilibrium position along the external field. The Holstein-Primakoff representation is applied to spin operators in low-temperature approximation. When the interaction between the spin waves is negligible and only two-magnon terms are taken into account, the Hamiltonian diagonalisation is possible. We obtain the dispersion relation for spin waves in the square and hexagonal honeycomb lattice. Bose-Einstein statistics determine the average number of spin deviations, and total system magnetization. The lattice structure does not influence on magnetization at the long-wavelength limit. The dependencies of the relative magnetization and longitudinal susceptibility on temperature and external field intensity are found. The internal energy and specific heat of the Bose gas of spin waves are calculated. The collective spin excitations play a significant role in the properties of the paramagnetic system at low temperature and strong external magnetic field.

  11. The Flavor Structure of the Excited Baryon Spectra from Lattice QCD

    SciTech Connect

    Edwards, Robert G.; Mathur, Nilmani; Richards, David G.; Wallace, Stephen J

    2013-03-01

    Excited state spectra are calculated using lattice QCD for baryons that can be formed from $u$, $d$ and $s$ quarks, namely the $N$, $\\Delta$, $\\Lambda$, $\\Sigma$, $\\Xi$ and $\\Omega$ families of baryons. Baryonic operators are constructed from continuum operators that transform as irreducible representations of SU(3)$_F$ symmetry for flavor, SU(4) symmetry for Dirac spins of quarks and O(3) symmetry for orbital angular momenta. Covariant derivatives are used to realize orbital angular momenta. Using the operators, we calculate matrices of correlation functions in order to extract excited states. The resulting lattice spectra have bands of baryonic states with well-defined total spins up to $J=7/2$. Each state can be assigned a dominant flavor symmetry and the counting of states of each flavor and spin reflects $SU(6) \\times O(3)$ symmetry for the lowest negative-parity and positive-parity bands. States with strong hybrid content are identified through the dominance of chromo-magnetic operators.

  12. Thermally excited proton spin-flip laser emission in tokamaks

    SciTech Connect

    Arunasalam, V.; Greene, G.J.

    1993-07-01

    Based on statistical thermodynamic fluctuation arguments, it is shown here for the first time that thermally excited spin-flip laser emission from the fusion product protons can occur in large tokamak devices that are entering the reactor regime of operation. Existing experimental data from TFTR supports this conjecture, in the sense that these measurements are in complete agreement with the predictions of the quasilinear theory of the spin-flip laser.

  13. Spin textures and spin-wave excitations in doped Dirac-Weyl semimetals

    NASA Astrophysics Data System (ADS)

    Araki, Yasufumi; Nomura, Kentaro

    2016-03-01

    We study correlations and magnetic textures of localized spins, doped in three-dimensional Dirac semimetals. An effective field theory for magnetic moments is constructed by integrating out the fermionic degrees of freedom. The spin correlation shows a strong anisotropy, originating from spin-momentum locking of Dirac electrons, in addition to the conventional Heisenberg-like ferromagnetic correlation. The anisotropic spin correlation allows topologically nontrivial magnetic excitation textures such as a transient hedgehog state, as well as the ferromagnetic ground state. The spin-wave dispersion in ferromagnetic Weyl semimetal also becomes anisotropic, being less dispersed perpendicular to the magnetization.

  14. Localized excitation of magnetostatic surface spin waves in yttrium iron garnet by shorted coaxial probe detected via spin pumping and rectification effect

    SciTech Connect

    Soh, Wee Tee Ong, C. K.; Peng, Bin

    2015-04-21

    We demonstrate the localized excitation and dc electrical detection of magnetostatic surface spin waves (MSSWs) in yttrium iron garnet (YIG) by a shorted coaxial probe. Thin films of NiFe and Pt are patterned at different regions onto a common bulk YIG substrate. A shorted coaxial probe is used to excite spin precession locally near various patterned regions. The dc voltages across the corresponding regions are recorded. For excitation of the Pt regions, the dc voltage spectra are dominated by the spin pumping of MSSWs from YIG, where various modes can be clearly distinguished. For the NiFe region, it is also found that spin pumping from MSSWs generated in YIG dominated the spectra, indicating that the spin pumped currents are dissipated into charge currents via the inverse Spin Hall effect (ISHE) in NiFe. For all regions, dc signals from YIG MSSWs are observed to be much stronger than the ferromagnetic resonance (FMR) uniform mode, likely due to the nature of the microwave excitation. The results indicate the potential of this probe for microwave imaging via dc detection of spin dynamics in continuous and patterned films.

  15. Ground and Excited State Spectra of a Quantum Dot

    NASA Astrophysics Data System (ADS)

    Stewart, D. R.; Sprinzak, D.; Patel, S. R.; Marcus, C. M.; Duruoz, C. I.; Harris, J. S.

    1998-03-01

    We present linear and nonlinear magnetoconductance measurements of the ground and excited state spectra for successive electron occupancy in a gate defined lateral quantum dot. Previous measurementsfootnote D.R. Stewart, D. Sprinzak, C.M. Marcus, C.I. Duruoz and J.S. Harris Jr., Science 278, (1997). showed a direct correlation between the mth excited state of the N-electron system and the ground state of the (N+m)-electron system for m up to 4, consistent to a large degree with a single-particle picture. Here we report quantitative deviations of the excited state spectra from the spectrum of ground state magnetoconductances, attributed to many-body interactions in the finite system of N ~200 electrons. We also describe the behaviour of anticrossings in the ground state magnetoconductances. We acknowledge the support of JSEP (DAAH04-94-G-0058), ARO (DAAH04-95-1-0331), ONR-YIP (N00014-94-1-0622) and the NSF-PECASE program. D.S. acknowledges the support of MINERVA grant.

  16. Excitation of propagating spin waves with global uniform microwave fields

    NASA Astrophysics Data System (ADS)

    Au, Y.; Davison, T.; Ahmad, E.; Keatley, P. S.; Hicken, R. J.; Kruglyak, V. V.

    2011-03-01

    We demonstrate a magnonic architecture that converts global free-space uniform microwaves into spin waves propagating in a stripe magnonic waveguide. The architecture is based upon dispersion mismatch between the narrow magnonic waveguide and a wide "antenna" patch, both patterned from the same magnetic film. The spin waves injected into the waveguide travel to distances as large as several tens of micrometers. The antennas can be placed at multiple positions on a magnonic chip and used to excite mutually coherent multiple spin waves for magnonic logic operations. This demonstration paves way for "magnonics" to become a pervasive technology for information processing.

  17. Low-spin excitations in ^100Pd

    NASA Astrophysics Data System (ADS)

    Radeck, D.; Bettermann, L.; Blazhev, A.; Bernards, C.; Dewald, A.; Fransen, C.; Heinze, S.; Jolie, J.; Muecher, D.; Pissulla, T.; Zell, K. O.; Moeller, O.

    2009-10-01

    In the context of investigating collectivity in the A=100 mass region the nucleus ^100Pd was measured at the Cologne Tandem facility using the HORUS and the plunger setups. Detailed data exists for the N=52 isotones and the evolution of collectivity - especially of the symmetric and mixed-symmetric phonon states - was discussed. To extend the knowledge of the evolution in this region it is important to measure the N=54 isotones. Up to now the low-energy part of the excitation spectrum of ^100Pd was known sparsely and only the lifetime of an 8^+ isomer was known. Using the HORUS data the level scheme was extended, clarified and multipole mixing ratios were determined for the first time. The plunger experiment yielded lifetimes of the yrast states up to 12^+1. Both, the experimental excitation spectrum and electric transition strengths, were compared to predictions of theoretical models, i.e. the anharmonic vibrator model, the Interacting Boson Model and the shell model. A candidate for the one-phonon mixed-symmetry excitation 2^+1,ms was identified due to its dominating M1 transition to the symmetric 2^+1 state. The results will be presented and discussed. Supported by DFG, grant Jo 391/3-2 and US DOE DE-FG02-91ER40609.

  18. Nuclear-spin observation of noise spectra in semiconductors

    NASA Astrophysics Data System (ADS)

    Sasaki, Susumu; Yuge, Tatsuro; Nishimori, Masashi; Kawanago, Takashi; Hirayama, Yoshiro

    2013-12-01

    We propose a systematic method of obtaining the spectra of noises that cause the decoherence of spins in solids. Based on this method, we experimentally show that this method can be applied to nuclear spins in semiconductors. We clarify that the spectral intensity must be derived from the long-time tail of the multiple-echo decay. To obtain higher-frequency noise, the inversion-pulse interval must be as short as possible, which required us to employ the alternating-phase Carr-Purcell sequence instead of the widely used Carr-Purcell Meiboom-Gill. For 75As nuclear spin in variously-doped GaAs, we observed a Lorentzian spectrum, instead of the commonly observed 1/f spectrum. This indicates that the nuclear spins are indeed in a coherently-controlled state.

  19. Spin Torque induced anti-vortex excitations

    NASA Astrophysics Data System (ADS)

    Ozbozduman, Kaan; Karakas, Vedat; Arpaci, Sevdenur; Habibioglu, Ali Taha; Gokce, Aisha; Giordano, Anna; Celegato, Federica; Tiberto, Paula; Finocchio, Giovanni; Aktas, Gulen; Ozatay, Ozhan

    Nanodevices that are designed to stimulate the formation of unique magnetic configurations (vortex, anti-vortex, skyrmion etc.) are applicable to spin based technologies, namely, microwave oscillators and magnetic sensors. In this talk, we report the observed dynamic behavior of an anti-vortex, which had not been thoroughly studied due to the complexity in stabilization of the structure, by analyzing its interaction with magnetic field and DC current. Permalloy (Ni81Fe19) based 2x2µm2 asteroid geometry devices, consisting of four tangent circles of equal radii, facilitate the nucleation of an anti-vortex pair at the center with the application of an in-plane AC demagnetizing field and an out of plane magnetic saturation field. Magnetic force microscopy (MFM) data shows that an external magnetic field can rearrange the positions of diagonally located anti-vortex pair. Spin torque effect induces an anti-vortex pair circular motion, known as gyration. The resulting RF signal is measured using the anisotropic magneto-resistance effect (AMR) which indicates a ~250-300 m Ω change in the resistance of our samples. This study will help develop our understanding of the anti-vortex, current and magnetic field interactions for practical on-chip microwave oscillator applications.

  20. Microwave Spectra of Furazan. IV. Rotation Spectra of Vibrationally Excited States of Perdeuterated Furazan

    NASA Astrophysics Data System (ADS)

    Stiefvater, Otto L.

    1990-10-01

    The pure rotation spectra of molecules in 25 vibrationally excited states of perdeuterated furazan, C2D2N2O, have been studied by double resonance modulation (DRM) microwave spectroscopy. Twelve of these spectra have been correlated, -on the basis of relative intensity measurements under DRM -, with fundamental vibrations as previously established by IR spectroscopy. Rotational parameters for these 12 fundamental levels are reported, and the contributions to the effective rotational constants and to the inertia defect of the ground state of d2 -furazan have been determined for 10 modes of vibration.

  1. Two Energy Scales in the Spin Excitations of La2-xSrxCu04

    NASA Astrophysics Data System (ADS)

    Hayden, Stephen

    2007-03-01

    There has recently been considerable progress in electronic quasiparticle spectroscopy of high-Tc superconductors. Angle resolved photoemission and tunnelling indicate that the quasiparticles are strongly coupled to excitations with energies in the range 40-70 meV. The recent debate has focused around phonons being the coupled excitations. The focus on phonons is largely because high-resolution phonon spectra are available and they contain considerable structure. Collective spin excitations are promising candidates for the strongly coupled excitations. However high resolution neutron data in the relevant 40-70 meV energy range have not been available for compounds where the quasiparticle anomalies are observed. In order to fill this gap in our knowledge, we have prepared 50g of single crystals of La1.84Sr0.16CuO4 and carried out a new study of the magnetic excitations over a wide energy range, with considerably better energy resolution than our previous studies, and with good momentum resolution. Experiments were carried out using the MAPS spectrometer at the ISIS spallation neutron source. Our results demonstrate that the magnetic excitations have a two component structure with a low-frequency component strongest around 18 meV and a broader component strongest near 40-70 meV. The second component carries most of the spectral weight and its energy matches structure seen in photoemission and tunnelling spectra in the range 50-90 meV. Thus collective spin excitations may explain features of quasiparticle spectroscopies and are therefore likely to be strongly coupled excitations. The high-frequency excitations are most naturally interpreted as being due to residual antiferromagnetic interactions. [1] e.g. A. Lanzara, Nature 412, p510 (2001) [2] e.g. J Lee et al., Nature 442, p546 (2006)

  2. Microwave Spectra of Furazan. III. Rotation Spectra of Vibrationally Excited States

    NASA Astrophysics Data System (ADS)

    Stiefvater, Otto L.

    1990-10-01

    The pure rotational spectra of molecules in 21 vibrationally excited states of the heterocyclic compound furazan (C2H2N2O) have been detected and studied by DRM microwave spectroscopy. Rotational parameters are reported for the 12 fundamental levels below 1500 cm-1 , and the contri-butions from 10 vibrational modes to the effective rotational constants and to the inertia defect of furazan are calculated.

  3. Propagating spin waves excited by spin-transfer torque: A combined electrical and optical study

    NASA Astrophysics Data System (ADS)

    Madami, M.; Iacocca, E.; Sani, S.; Gubbiotti, G.; Tacchi, S.; Dumas, R. K.; Åkerman, J.; Carlotti, G.

    2015-07-01

    Nanocontact spin-torque oscillators are devices in which the generation of propagating spin waves can be sustained by spin transfer torque. In the present paper, we perform combined electrical and optical measurements in a single experimental setup to systematically investigate the excitation of spin waves by a nanocontact spin-torque oscillator and their propagation in a N i80F e20 extended layer. By using microfocused Brillouin light scattering we observe an anisotropic emission of spin waves, due to the broken symmetry imposed by the inhomogeneous Oersted field generated by the injected current. In particular, spin waves propagate on the side of the nanocontact where the Oersted field and the in-plane component of the applied magnetic field are antiparallel, while propagation is inhibited on the opposite side. Moreover, propagating spin waves are efficiently excited only in a limited frequency range corresponding to wavevectors inversely proportional to the size of the nanocontact. This frequency range obeys the dispersion relation for exchange-dominated spin waves in the far field, as confirmed by micromagnetic simulations of similar devices. The present results have direct consequences for spin wave based applications, such as synchronization, computation, and magnonics.

  4. Low-spin excitations in {sup 100}Pd

    SciTech Connect

    Radeck, D.; Albers, M.; Bernards, C.; Bettermann, L.; Blazhev, A.; Fransen, C.; Heinze, S.; Jolie, J.; Muecher, D.

    2009-01-28

    In recent years collectivity in the mass region around A = 100 has become the focus of increased interest. The N = 52 isotones were investigated in detail and phonon excitations -especially one- and two-phonon mixed-symmetry states--were identified. In order to investigate how vibrator-like behavior and states with mixed-symmetry character evolve with increasing neutron number it is interesting to study the N = 54 isotones. Therefore an experiment to measure the low-spin excitations of {sup 100}Pd was performed at the FN-Tandem accelerator with the HORUS cube spectrometer. Besides the determination of excitation and transition energies and branching ratios, spins and multipole mixing ratios resulted from the {gamma}{gamma} angular correlation analysis. The newly gained data were compared with predictions from theory both from collective models and from shell model.

  5. Spin excitations in a monolayer scanned by a magnetic tip

    NASA Astrophysics Data System (ADS)

    Magiera, M. P.; Brendel, L.; Wolf, D. E.; Nowak, U.

    2009-07-01

    Energy dissipation via spin excitations is investigated for a hard ferromagnetic tip scanning a soft magnetic monolayer. We use the classical Heisenberg model with Landau-Lifshitz-Gilbert (LLG) dynamics including a stochastic field representing finite temperatures. The friction force depends linearly on the velocity (provided it is small enough) for all temperatures. For low temperatures, the corresponding friction coefficient is proportional to the phenomenological damping constant of the LLG equation. This dependence is lost at high temperatures, where the friction coefficient decreases exponentially. These findings can be explained by properties of the spin polarisation cloud dragged along with the tip.

  6. Spin and pseudospin symmetries and the equivalent spectra of relativistic spin-1/2 and spin-0 particles

    SciTech Connect

    Alberto, P.; Castro, A. S. de; Malheiro, M.

    2007-04-15

    We show that the conditions which originate the spin and pseudospin symmetries in the Dirac equation are the same that produce equivalent energy spectra of relativistic spin-1/2 and spin-0 particles in the presence of vector and scalar potentials. The conclusions do not depend on the particular shapes of the potentials and can be important in different fields of physics. When both scalar and vector potentials are spherical, these conditions for isospectrality imply that the spin-orbit and Darwin terms of either the upper component or the lower component of the Dirac spinor vanish, making it equivalent, as far as energy is concerned, to a spin-0 state. In this case, besides energy, a scalar particle will also have the same orbital angular momentum as the (conserved) orbital angular momentum of either the upper or lower component of the corresponding spin-1/2 particle. We point out a few possible applications of this result.

  7. Spin alignment of excited projectiles due to target spin-flip interactions

    NASA Astrophysics Data System (ADS)

    Charity, R. J.; Elson, J. M.; Manfredi, J.; Shane, R.; Sobotka, L. G.; Chajecki, Z.; Coupland, D.; Iwasaki, H.; Kilburn, M.; Lee, Jenny; Lynch, W. G.; Sanetullaev, A.; Tsang, M. B.; Winkelbauer, J.; Youngs, M.; Marley, S. T.; Shetty, D. V.; Wuosmaa, A. H.

    2015-02-01

    The sequential breakup of E /A =65.5 -MeV7Be and E /A =36.6 -MeV6Li projectiles excited through inelastic interactions with 9Be target nuclei has been studied. For events where the target nucleus remained in its ground state, significant alignment of the excited projectile's spin axis parallel or antiparallel to the beam direction was observed. This unusual spin alignment was found to be largely independent of the projectile's scattering angle and it was deduced that the target nucleus has a significant probability of changing its spin orientation during the interaction. It is proposed that the unusual spin alignment is a consequence of the molecular structure of the 9Be nucleus.

  8. Excitation of multiple quantum transitions under magic angle spinning conditions: Adamantane

    NASA Astrophysics Data System (ADS)

    Meier, B. H.; Earl, William L.

    1986-11-01

    A pulse sequence designed for the excitation of multiple quantum transitions in magic angle spinning solid state NMR spectroscopy is presented. It is shown that under the action of the standard time-reversal pulse sequence, the change in the sign of the dipole coupling (which is used to generate the multiple quantum coherences) upon rotation causes the multiple quantum intensity to vanish after each rotor period. This effect is demonstrated both in calculations and in experimental 1H spectra of adamantane. A modification of the time-reversal pulse sequence, which involves switching the phase of the rf pulses every half-rotor period causes the spin part of the Hamiltonian to switch sign in synchrony with the modulation of the spacial part. This allows the creation of multiple quantum coherences in solids with magic angle spinning. The effectiveness of this pulse sequence is demonstrated through calculations and experiments.

  9. Excitation of multiple quantum transitions under magic angle spinning conditions: Adamantane

    SciTech Connect

    Meier, B.H.; Earl, W.L.

    1986-11-01

    A pulse sequence designed for the excitation of multiple quantum transitions in magic angle spinning solid state NMR spectroscopy is presented. It is shown that under the action of the standard time-reversal pulse sequence, the change in the sign of the dipole coupling (which is used to generate the multiple quantum coherences) upon rotation causes the multiple quantum intensity to vanish after each rotor period. This effect is demonstrated both in calculations and in experimental /sup 1/H spectra of adamantane. A modification of the time-reversal pulse sequence, which involves switching the phase of the rf pulses every half-rotor period causes the spin part of the Hamiltonian to switch sign in synchrony with the modulation of the spacial part. This allows the creation of multiple quantum coherences in solids with magic angle spinning. The effectiveness of this pulse sequence is demonstrated through calculations and experiments.

  10. Study of low-spin excitations in 100Pd

    NASA Astrophysics Data System (ADS)

    Radeck, D.; Albers, M.; Bernards, C.; Bettermann, L.; Blazhev, A.; Fransen, C.; Heinze, S.; Jolie, J.; Mücher, D.

    2009-04-01

    In the context of the investigation of collectivity in the A=100 mass region an experiment to measure the low-spin excitations of 100Pd was performed at the Cologne Tandem accelerator with the HORUS cube spectrometer. Besides the determination of excitation and transition energies and branching ratios, data on spins and multipole mixing ratios resulted from the γγ angular correlation analysis. The level scheme was extended and clarified. Nearly 70 γ transitions were identified, thereof 16 for the first time. In addition 11 new energy levels were assigned and 13 multipole mixing ratios were measured for the first time. The newly gained data are compared with theoretical predictions from collective models and the shell model.

  11. Optimization of excitation transfer in a spin chain

    NASA Astrophysics Data System (ADS)

    Gurman, Vladimir I.; Guseva, Irina S.; Fesko, Oles V.

    2016-06-01

    A revised formulation of the problem of fastest transfer of the excitation in a spin chain is considered on the base of Shrödinger equation which Hamiltonian depends linearly on control. It is taken into account that the excitation of the first or last spin means that it has greatest amplitude equal to the chain invariant whereas its phase is undefined and can be considered as an additional control variable. The role of this additional control is analyzed via transformation of the original problem with unbounded linear control to the regular derived problem known from the theory of degenerate problems [1, 2], in the same way as in [2]. The overall procedure is demonstrated in computational experiments with the use of visual examples.

  12. Temperature impact on the spectra of the spin-wave resonance in two-layer magnetic films

    NASA Astrophysics Data System (ADS)

    Zyuzin, A. M.; Bakulin, M. A.; Radaikin, V. V.; Sabaev, S. N.; Yantsen, N. V.

    2016-05-01

    A sharp difference has been revealed in the behavior of the temperature dependences of the spectra of the spin-wave resonance of two-layer films with different parameters of the pinning layers. The calculations have shown that the effect of the disappearance and subsequent appearance of spin-wave modes in the specific temperature ranges was connected with the decrease in the degree of pinning because of the convergence of the fields of uniform resonance in the layers of excitation and pinning of spin fluctuations.

  13. Excitation of chaotic spin waves through modulational instability.

    PubMed

    Wu, Mingzhong; Hagerstrom, Aaron M; Eykholt, Richard; Kondrashov, Alexander; Kalinikos, Boris A

    2009-06-12

    This Letter reports the first experimental demonstration of chaotic excitations through modulational instability for waves with a repulsive nonlinearity. The experiments were carried out for surface spin waves in a magnetic thin film strip in an active feedback ring configuration. At a low ring gain level, one observes the self-generation of one eigenmode. With an increase in the ring gain, one observes the production of additional modes and the onset and enrichment of chaotic behaviors. PMID:19658967

  14. Quantum gates controlled by spin chain soliton excitations

    SciTech Connect

    Cuccoli, Alessandro; Nuzzi, Davide; Vaia, Ruggero; Verrucchi, Paola

    2014-05-07

    Propagation of soliton-like excitations along spin chains has been proposed as a possible way for transmitting both classical and quantum information between two distant parties with negligible dispersion and dissipation. In this work, a somewhat different use of solitons is considered. Solitons propagating along a spin chain realize an effective magnetic field, well localized in space and time, which can be exploited as a means to manipulate the state of an external spin (i.e., a qubit) that is weakly coupled to the chain. We have investigated different couplings between the qubit and the chain, as well as different soliton shapes, according to a Heisenberg chain model. It is found that symmetry properties strongly affect the effectiveness of the proposed scheme, and the most suitable setups for implementing single qubit quantum gates are singled out.

  15. User-friendly software for modeling collective spin wave excitations

    NASA Astrophysics Data System (ADS)

    Hahn, Steven; Peterson, Peter; Fishman, Randy; Ehlers, Georg

    There exists a great need for user-friendly, integrated software that assists in the scientific analysis of collective spin wave excitations measured with inelastic neutron scattering. SpinWaveGenie is a C + + software library that simplifies the modeling of collective spin wave excitations, allowing scientists to analyze neutron scattering data with sophisticated models fast and efficiently. Furthermore, one can calculate the four-dimensional scattering function S(Q,E) to directly compare and fit calculations to experimental measurements. Its generality has been both enhanced and verified through successful modeling of a wide array of magnetic materials. Recently, we have spent considerable effort transforming SpinWaveGenie from an early prototype to a high quality free open source software package for the scientific community. S.E.H. acknowledges support by the Laboratory's Director's fund, ORNL. Work was sponsored by the Division of Scientific User Facilities, Office of Basic Energy Sciences, US Department of Energy, under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC.

  16. Localized spin excitations in an antiferromagnetic spin system with D-M interaction.

    PubMed

    Evangeline Rebecca, T; Latha, M M

    2016-06-01

    The existence of localized spin excitations and spin deviations along the site in a one-dimensional antiferromagnet with Dzyaloshinski-Moriya (D-M) interaction has been studied using quasiclassical approximation. By introducing the Holstein-Primakoff bosonic representation of spin operators, the coherent state ansatz, and the time dependent variational principle, a discrete set of coupled nonlinear partial differential equations governing the dynamics is derived. Employing the multiple-scale method, one, two and three solitary wave solutions are constructed and depicted graphically. PMID:27368781

  17. Local excitations in mean-field spin glasses

    NASA Astrophysics Data System (ADS)

    Krzakala, F.; Parisi, G.

    2004-06-01

    We address the question of geometrical as well as energetic properties of local excitations in mean-field Ising spin glasses. We study analytically the Random Energy Model and numerically a dilute mean-field model, first on tree-like graphs, equivalent to a replica-symmetric computation, and then directly on finite-connectivity random lattices. In the first model, characterized by a discontinuous replica symmetry breaking, we found that the energy of finite-volume excitation is infinite, whereas in the dilute mean-field model, described by a continuous replica symmetry breaking, it slowly decreases with sizes and saturates at a finite value, in contrast with what would be naively expected. The geometrical properties of these excitations are similar to those of lattice animals or branched polymers. We discuss the meaning of these results in terms of replica symmetry breaking and also possible relevance in finite-dimensional systems.

  18. Interaction between spin-wave excitations and pure spin currents in magnetic structures

    NASA Astrophysics Data System (ADS)

    Azevedo, Antonio

    2012-02-01

    The generation of pure spin current (PSC) in magnetic structures has attracted much attention not only for its fundamental importance in spintronics, but also because it opens up potential applications. One of the most exciting aspects of this area is the interplay between spin-waves (SW) and PSC. Here we report experimental results in which the PSC, generated by both spin pumping (SPE) [1] and spin Seebeck (SSE) [2] effects, can exert a spin-transfer torque sufficient to compensate the SW relaxation in yttrium iron garnet (YIG)/non-magnetic structures. By measuring the propagation of SW packets in single-crystal YIG films we were able to observe the amplification of volume and magnetostatic modes (MSW) by both SSE and SHE [3,4]. The excitation and detection of the SW packets is carried out by using a MSW delay line device. In both cases the amplification is attributed to the spin-transfer torque due to PSC generated by SSE as well as SHE. It will also be presented new results in which PSC are simultaneously excited by SSE and SPE effects in YIG films. While the spin current generated by SPE is obtained by exciting the ferromagnetic resonance (FMR) of the YIG film, the spin current due to SSE is created by applying a temperature gradient along the film plane. The effect of the superposition of both spin currents is characterized by measuring the spin Hall voltage (VH) along thin strips of Pt deposited on top of the YIG films. Whereas VH corresponding to the uniform FMR is amplified due the SSE the voltages corresponding to the other magnetostatic spin-wave modes are attenuated [5]. [4pt] [1] Y. Tserkovnyak, et al., Rev. Mod. Phys. 77, 1375 (2005).[0pt] [2] K. Uchida, et al., Nature 455, 778 (2008).[0pt] [3] E. Padr'on-Hern'andez, A. Azevedo, and S. M. Rezende, Phys. Rev. Letts., 107, 197203 (2011).[0pt] [4] E. Padr'on-Hern'andez, A. Azevedo, and S. M. Rezende, Appl. Phys. Letts., 99 (2011) in press.[0pt] [5] G.L. da Silva, L.H. Vilela-Leão, S. M. Rezende and A

  19. Level densities and spin cutoff parameters for 60Co and 62Ni from proton evaporation spectra

    NASA Astrophysics Data System (ADS)

    Voinov, Alexander; Grimes, Steven; Brune, Carl R.; Burger, Alexander; Gorgen, Andreas; Guttormsen, Magne; Larsen, Ann Cecilie; Massey, Tomas; Siem, Sunniva

    2013-10-01

    Prediction of reaction cross sections remains a major problem in applications such as data evaluations or/and astrophysics reaction rate calculations. There is big progress in the development of nuclear reaction codes which now include different reaction mechanisms. However, these codes use many input parameters. The variety of input parameters helps us to describe existing experimental data but it creates problems when it comes to predictions. The uncertainties of the level density and the spin cutoff parameter cause the major concern. The proton spectra from α and lithium induced reactions have been measured and analyzed with the Hauser-Feshbach model. Different input level density models have been tested. The level densities and spin cutoff parameters were obtained with Monte-Carlo technique taking into account known spins of discrete low-lying levels of residual nuclei. It was found that the best description is achieved with the Gilbert and Cameron model functions. Excitation energy dependence of spin cutoff parameters was found to be different for 60Co and 62Ni nuclei. It is inconsistent with Fermi-gas model which is usually used to calculate spin cutoff parameters.

  20. Excited-state Raman spectroscopy with and without actinic excitation: S{sub 1} Raman spectra of trans-azobenzene

    SciTech Connect

    Dobryakov, A. L.; Quick, M.; Ioffe, I. N.; Granovsky, A. A.; Ernsting, N. P.; Kovalenko, S. A.

    2014-05-14

    We show that femtosecond stimulated Raman spectroscopy can record excited-state spectra in the absence of actinic excitation, if the Raman pump is in resonance with an electronic transition. The approach is illustrated by recording S{sub 1} and S{sub 0} spectra of trans-azobenzene in n-hexane. The S{sub 1} spectra were also measured conventionally, upon nπ* (S{sub 0} → S{sub 1}) actinic excitation. The results are discussed and compared to earlier reports.

  1. Doping evolution of spin and charge excitations in the Hubbard model

    SciTech Connect

    Kung, Y. F.; Nowadnick, E. A.; Jia, C. J.; Johnston, S.; Moritz, B.; Scalettar, R. T.; Devereaux, T. P.

    2015-11-05

    We shed light on how electronic correlations vary across the phase diagram of the cuprate superconductors, examining the doping evolution of spin and charge excitations in the single-band Hubbard model using determinant quantum Monte Carlo (DQMC). In the single-particle response, we observe that the effects of correlations weaken rapidly with doping, such that one may expect the random phase approximation (RPA) to provide an adequate description of the two-particle response. In contrast, when compared to RPA, we find that significant residual correlations in the two-particle excitations persist up to 40% hole and 15% electron doping (the range of dopings achieved in the cuprates). Ultimately, these fundamental differences between the doping evolution of single- and multi-particle renormalizations show that conclusions drawn from single-particle processes cannot necessarily be applied to multi-particle excitations. Eventually, the system smoothly transitions via a momentum-dependent crossover into a weakly correlated metallic state where the spin and charge excitation spectra exhibit similar behavior and where RPA provides an adequate description.

  2. Doping evolution of spin and charge excitations in the Hubbard model

    DOE PAGESBeta

    Kung, Y. F.; Nowadnick, E. A.; Jia, C. J.; Johnston, S.; Moritz, B.; Scalettar, R. T.; Devereaux, T. P.

    2015-11-05

    We shed light on how electronic correlations vary across the phase diagram of the cuprate superconductors, examining the doping evolution of spin and charge excitations in the single-band Hubbard model using determinant quantum Monte Carlo (DQMC). In the single-particle response, we observe that the effects of correlations weaken rapidly with doping, such that one may expect the random phase approximation (RPA) to provide an adequate description of the two-particle response. In contrast, when compared to RPA, we find that significant residual correlations in the two-particle excitations persist up to 40% hole and 15% electron doping (the range of dopings achievedmore » in the cuprates). Ultimately, these fundamental differences between the doping evolution of single- and multi-particle renormalizations show that conclusions drawn from single-particle processes cannot necessarily be applied to multi-particle excitations. Eventually, the system smoothly transitions via a momentum-dependent crossover into a weakly correlated metallic state where the spin and charge excitation spectra exhibit similar behavior and where RPA provides an adequate description.« less

  3. Superconductivity and spin excitations in orbitally ordered FeSe

    NASA Astrophysics Data System (ADS)

    Kreisel, Andreas; Mukherjee, Shantanu; Hirschfeld, P. J.; Andersen, B. M.

    We provide a band-structure with low-energy properties consistent with recent photoemission and quantum oscillations measurements on the Fe-based superconductor FeSe, including a mean-field like orbital ordering in the dxz /dyz channel, and show that this model also accounts for the temperature dependence of the measured Knight shift and the spin-relaxation rate. An RPA calculation of the dynamical spin susceptibility yields spin excitations which are peaked at wave vector (π , 0) in the 1-Fe Brillouin zone, with a broad maximum at energies of order a few meV. Furthermore, the superconducting gap structure obtained from spin fluctuation theory exhibits nodes on the electron pockets, consistent with the 'V'-shaped density of states measured by tunneling spectroscopy on this material. The redistribution of spectral weight in the superconducting state creates a (π , 0) ''neutron resonance'' as seen in recent experiments. Comparing to various experimental results, we give predictions for further studies A.K. and B.M.A. acknowledge financial support from a Lundbeckfond fellowship (Grant No. A9318). P.J.H. was partially supported by the Department of Energy under Grant No. DE-FG02-05ER46236.

  4. Thermal Hall Effect of Spin Excitations in a Kagome Magnet.

    PubMed

    Hirschberger, Max; Chisnell, Robin; Lee, Young S; Ong, N P

    2015-09-01

    At low temperatures, the thermal conductivity of spin excitations in a magnetic insulator can exceed that of phonons. However, because they are charge neutral, the spin waves are not expected to display a thermal Hall effect. However, in the kagome lattice, theory predicts that the Berry curvature leads to a thermal Hall conductivity κ(xy). Here we report observation of a large κ(xy) in the kagome magnet Cu(1-3, bdc) which orders magnetically at 1.8 K. The observed κ(xy) undergoes a remarkable sign reversal with changes in temperature or magnetic field, associated with sign alternation of the Chern flux between magnon bands. The close correlation between κ(xy) and κ(xx) firmly precludes a phonon origin for the thermal Hall effect. PMID:26382691

  5. Local excitations of a spin glass in a magnetic field

    NASA Astrophysics Data System (ADS)

    Lamarcq, J.; Bouchaud, J.-P.; Martin, O. C.

    2003-07-01

    We study the minimum energy clusters (MEC) above the ground state for the 3-d Edwards-Anderson Ising spin glass in a magnetic field. For fields B below 0.4, we find that the field has almost no effect on the excitations that we can probe, of volume V⩽64. As found previously for B=0, their energies decrease with V, and their magnetization remains very small (even slightly negative). For larger fields, both the MEC energy and magnetization grow with V, as expected in a paramagnetic phase. However, all results appear to scale as BV (instead of B(V) as expected from droplet arguments), suggesting that the spin glass phase is destroyed by any small field. Finally, the geometry of the MEC is completely insensitive to the field, giving further credence that they are lattice animals, in the presence or the absence of a field.

  6. Spin-transfer torque based damping control of parametrically excited spin waves in a magnetic insulator

    NASA Astrophysics Data System (ADS)

    Lauer, V.; Bozhko, D. A.; Brächer, T.; Pirro, P.; Vasyuchka, V. I.; Serga, A. A.; Jungfleisch, M. B.; Agrawal, M.; Kobljanskyj, Yu. V.; Melkov, G. A.; Dubs, C.; Hillebrands, B.; Chumak, A. V.

    2016-01-01

    The damping of spin waves parametrically excited in the magnetic insulator Yttrium Iron Garnet (YIG) is controlled by a dc current passed through an adjacent normal-metal film. The experiment is performed on a macroscopically sized YIG(100 nm)/Pt(10 nm) bilayer of 4 × 2 mm2 lateral dimensions. The spin-wave relaxation frequency is determined via the threshold of the parametric instability measured by Brillouin light scattering spectroscopy. The application of a dc current to the Pt film leads to the formation of a spin-polarized electron current normal to the film plane due to the spin Hall effect. This spin current exerts a spin transfer torque in the YIG film and, thus, changes the spin-wave damping. Depending on the polarity of the applied dc current with respect to the magnetization direction, the damping can be increased or decreased. The magnitude of its variation is proportional to the applied current. A variation in the relaxation frequency of ± 7.5 % is achieved for an applied dc current density of 5 × 1010 A/m2.

  7. Hydrodynamic study of edge spin-vortex excitations of fractional quantum Hall fluid

    NASA Astrophysics Data System (ADS)

    Rabiu, M.; Mensah, S. Y.; Seini, I. Y.; Abukari, S. S.

    2016-07-01

    We undertake a theoretical study of edge spin-vortex excitations in fractional quantum Hall fluid. This is done in view of quantised Euler hydrodynamics theory. The dispersions of true excitations for fractions within 0 ≤ ν ≤ 1 are simulated which exhibit universal similarities and differences in behaviour. The differences arise from different edge smoothness and spin (pseudo-spin) polarisations, in addition to spin-charge competition. In particular, tuning the spin-charge factor causes coherent spin flipping associated with partial and total polarisations of edge spin-vortices. This observation is tipped as an ideal mechanism for realisation of functional spintronic devices.

  8. Determination of the Cu 2p primary excitation spectra for Cu, Cu2O and CuO

    NASA Astrophysics Data System (ADS)

    Pauly, N.; Tougaard, S.; Yubero, F.

    2014-02-01

    The shape and intensity of photoelectron peaks are strongly affected by extrinsic excitations due to electron transport out of the surface (including bulk and surface effects) and to intrinsic excitations due to the sudden creation of the static core hole. These effects must be included in the theoretical description of the emitted photoelectron spectra. We have calculated the effective energy-differential inelastic electron scattering cross section for XPS, including both surface and core hole effects, within the dielectric response theory by means of the QUEELS-XPS software (QUantitative analysis of Electron Energy Losses at Surfaces for XPS). The full XPS spectrum is then modeled by convoluting this energy loss cross section with the primary excitation spectrum that accounts for all effects which are part of the initial photo-excitation process, i.e. lifetime broadening, spin-orbit coupling, and multiplet splitting. The shape of this primary excitation spectrum is determined by requiring close agreement between the resulting theoretical spectrum and the experimental XPS spectrum. These calculations were performed for Cu 2p peaks of Cu, Cu2O, and CuO. For CuO, we compare the obtained primary excitation spectra with first principle calculations performed with the CTM4XAS software (Charge Transfer Multiplet program for X-ray Absorption Spectroscopy) for the corresponding emissions and we find good quantitative agreement.

  9. Using RIXS to Uncover Elementary Charge and Spin Excitations

    NASA Astrophysics Data System (ADS)

    Jia, Chunjing; Wohlfeld, Krzysztof; Wang, Yao; Moritz, Brian; Devereaux, Thomas P.

    2016-04-01

    Despite significant progress in resonant inelastic x-ray scattering (RIXS) experiments on cuprates at the Cu L -edge, a theoretical understanding of the cross section remains incomplete in terms of elementary excitations and the connection to both charge and spin structure factors. Here, we use state-of-the-art, unbiased numerical calculations to study the low-energy excitations probed by RIXS in the Hubbard model, relevant to the cuprates. The results highlight the importance of scattering geometry, in particular, both the incident and scattered x-ray photon polarization, and they demonstrate that on a qualitative level the RIXS spectral shape in the cross-polarized channel approximates that of the spin dynamical structure factor. However, in the parallel-polarized channel, the complexity of the RIXS process beyond a simple two-particle response complicates the analysis and demonstrates that approximations and expansions that attempt to relate RIXS to less complex correlation functions cannot reproduce the full diversity of RIXS spectral features.

  10. Probing Spin Excitations Using Magneto-Raman Spectroscopy

    NASA Astrophysics Data System (ADS)

    Thirunavukkuarasu, K.; Lu, Z.; Simpson, J.; Walker, A.; Sears, J.; Kim, Y.-J.; Burch, K.; Smirnov, D.

    The presence of a 2D quantum spin liquid state was recently suggested for the spin-orbit coupled Mott insulator α-RuCl3 with a honeycomb lattice.[Phys. Rev. 90, 041112 (2014)] Optical spectroscopy, Raman scattering, specific heat as well as magnetic susceptibility measurements on α-RuCl3 identified elementary excitations due to electronic correlations and spin-orbit coupling.[arXiv:1503.07593, Phys. Rev. Letters 114, 147201 (2015), and Phys. Rev. 91, 144420 (2015)] These observations appear to be consistent with theoretical expectations for Heisenberg-Kitaev model for QSL.[Phys. Rev. 91, 241110 (2015)] The underlying mechanism for the unconventional magnetism in α-RuCl3 was further investigated by probing the effect of external magnetic field on the Raman spectroscopic signatures. Raman scattering experiments were performed at temperatures down to 5 K and magnetic fields up to 10 T. The intensity of strongest A1g phonon was found to decrease with increasing magnetic field strength suggesting the presence of strong magnetic interactions. The experimental observations and its implications will be presented. Current Affiliation: Florida A and M University.

  11. Peak suppression in ESEEM spectra of multinuclear spin systems.

    PubMed

    Stoll, Stefan; Calle, Carlos; Mitrikas, George; Schweiger, Arthur

    2005-11-01

    We have observed a disturbing suppression effect in three-pulse ESEEM and HYSCORE spectra of systems with more than one nucleus coupled to the electron spin. For such systems, the ESEEM signal contains internuclear combination peaks of varying intensity. At the same time, the peaks at the basic ESEEM frequencies are reduced in intensity, up to the point of complete cancellation. For both three-pulse ESEEM and HYSCORE, the amplitude of a peak of a given nucleus depends not only on its modulation depth parameter k and the tau-dependent blind-spot term b, but also on k and b of all other nuclei. Peaks of nuclei with shallow modulations can be strongly suppressed by nuclei with deep modulations. This cross-suppression effect explains the observation that HYSCORE (1)H peaks are often very weak or even undetectable in the presence of strong (14)N peaks. Due to this distortion of intensities, ESEEM spectra have to be analysed very carefully. We present a theoretical analysis of this effect based on the product rules, numerical computations, and illustrative experimental data on Cu(gly)(2). In experiments, the impact of this cross suppression can be alleviated by a proper choice of tau values, remote echo detection, and matched pulses. PMID:16112885

  12. Comparative complexity of emission spectra from ICP, dc, Arc, and spark excitation sources

    SciTech Connect

    Winge, R.K.; DeKalb, E.L.; Fassel, V.A.

    1985-07-01

    A comparison of atomic emission spectra excited in high voltage spark and dc are discharges and in an inductively coupled plasma revealed that the most complex spectra were emitted by the high voltage spark. The dc arc and the inductively coupled plasma yielded spectra of approximately equivalent complexity. These observations are not in accord with the impressions conveyed in the literature.

  13. Enhancement of spin wave excitation by spin currents due to thermal gradient and spin pumping in yttrium iron garnet/Pt

    NASA Astrophysics Data System (ADS)

    da Silva, G. L.; Vilela-Leão, L. H.; Rezende, S. M.; Azevedo, A.

    2013-01-01

    We investigate the interplay between spin currents produced by thermal gradients and spin pumping in hybrid yttrium iron garnet/Pt structures (YIG/Pt). By combining a spin pumping experiment with the application of a temperature gradient, we observe the excitation of local spin wave modes at the YIG/Pt interface. Strong enhancement of these modes was observed when the temperature gradient was applied along one direction and attenuation was observed by reversing the temperature gradient. The results provide support for a recent theoretical proposal, in which some spin wave modes are preferentially excited by spin currents traversing a YIG/Pt interface.

  14. Excited state mass spectra of Λc+ baryon

    NASA Astrophysics Data System (ADS)

    Shah, Zalak; Thakkar, Kaushal; Rai, Ajay Kumar; Vinodkumar, P. C.

    2016-05-01

    The radial and orbital excited state masses of singly charmed Λc+ baryon is calculated using the Hypercentral Constituent Quark Model (hCQM). The first order correction is applied to the confinement coulomb plus power potential. The ground and excited state masses for JP=3/2+ are calculated. Our results are in good agreement with experimental and other theoretical predictions.

  15. Spin-wave excitations induced by spin current in spin-valve structures

    NASA Astrophysics Data System (ADS)

    Liu, Haoliang; Sun, Dali; Zhang, Chuang; Groesbeck, Matthew; Vardeny, Zeev Valy; Department of Physics; Astronomy, University of Utah, Salt Lake City, Utah 84112, USA Team

    2016-03-01

    We have investigated the magnetization dynamics of NiFe/Pt/Co spin-valve structures with different Pt layer thickness, using a broadband ferromagnetic resonance (FMR) and Brillouin light scattering (BLS) at ambient temperature. We found that the Gilbert damping factor, α of the two ferromagnetic (FM) layer films in the spin-valve structure are significantly larger than α of each individual FM layer. We interpret the increase in α in the spin-valve configuration as due to an interaction between the FM layers mediated by the induced spin current through the Pt interlayer when FMR conditions are met for one of the FM. This was verified by BLS of the spin-valve structure, in which the magnons density in the adjacent FM layer is enhanced upon FMR of the other FM layer. We have studied this spin-current-mediated interaction as a function of the Pt interlayer. Work supported by the MURI-AFOSR Grant FA9550-14-1-0037, and the UofU facility center supported by NSF-MRSEC Grant DMR-1121252.

  16. Collective excitations in doped two-leg quantum spin ladders

    NASA Astrophysics Data System (ADS)

    Blumberg, Girsh

    2004-03-01

    Investigation of the charge and spin dynamics of spin 1/2 quasi one-dimensional Sr_14Cu_24O_41 ladder compound has attracting attention because of the critical nature of its magnetic ground state and the relevance to the phase diagram of the high-Tc superconductors. Understanding the competition between the insulating states at low hole concentrations and superconducting pairing at higher hole densities has emerged as a key feature of the problem in cuprates. We use ultra-low frequency Raman spectroscopy as well as linear and nonlinear electrical response over about 10 decades of frequency to identify the insulating state of self-doped Sr_14Cu_24O_41 ladders as a weakly pinned, sliding spin/charge density wave with non-linear conductivity and a giant dielectric response (ɛ1 10^6) that persists to remarkably high temperatures [1]. We also performed structural studies in the density wave state by anomalous X-ray diffraction at the O K- and Cu L- edges. At sharp resonance with O K- pre-edge we observed peak that corresponds to commensurate with the lattice charge density modulation with period of five ladder steps. Intriguingly, the density wave peak intensity drops rapidly when excitation energy is detuned from the pre-edge resonance suggesting that the lattice does not respond to the charge modulation and therefore the density modulation is driven by anti-ferromagnetic interactions. Similar density wave correlations were found in ladders with higher hole concentration that show metallic-like conductivity and are superconducting under pressure. Our results demonstrate that the superconducting state in cuprates is competing with a crystalline charge ordered state and suggest that the transport in metallic ladders, which is similar to transport in underdoped high-Tc cuprates, is driven by a collective electronic response [2]. 1. G. Blumberg et al, Science 297, 584 (2002). 2. A. Gozar et al, PRL91, 087401 (2003); PRL87, 197202 (2001).

  17. Spinning-frequency-dependent linewidths in 1H-decoupled 13C magic-angle spinning NMR spectra

    NASA Astrophysics Data System (ADS)

    Nakai, Toshihito; McDowell, Charles A.

    1994-09-01

    The broadenings observed in 13C MAS NMR spectra, which depend on the sample-spinning speed, were studied, using polycrystalline adamantane. Not only was a monotonic increase of the linewidths with the increase of the spinning frequency observed, but also a novel resonant feature was found. The phenomena were interpreted as originating from rotary-resonance 13C 1H recoupling.

  18. Excitation spectra of disordered dimer magnets near quantum criticality.

    PubMed

    Vojta, Matthias

    2013-08-30

    For coupled-dimer magnets with quenched disorder, we introduce a generalization of the bond-operator method, appropriate to describe both singlet and magnetically ordered phases. This allows for a numerical calculation of the magnetic excitations at all energies across the phase diagram, including the strongly inhomogeneous Griffiths regime near quantum criticality. We apply the method to the bilayer Heisenberg model with bond randomness and characterize both the broadening of excitations and the transfer of spectral weight induced by disorder. Inside the antiferromagnetic phase this model features the remarkable combination of sharp magnetic Bragg peaks and broad magnons, the latter arising from the tendency to localization of low-energy excitations. PMID:24033066

  19. Modeling energy-loss spectra due to phonon excitation

    NASA Astrophysics Data System (ADS)

    Forbes, B. D.; Allen, L. J.

    2016-07-01

    We discuss a fundamental theory of how to calculate the phonon-loss sector of the energy-loss spectrum for electrons scattering from crystalline solids. A correlated model for the atomic motion is used for calculating the vibrational modes. Spectra are calculated for crystalline silicon illuminated by a plane wave and by an atomic-scale focused coherent probe, in which case the spectra depend on probe position. These spectra are also affected by the size of the spectrometer aperture. The correlated model is contrasted with the Einstein model in which atoms in the specimen are assumed to vibrate independently. We also discuss how both the correlated and Einstein models relate to a classical view of the energy-loss process.

  20. Thermally induced excited-state coherent raman spectra of solids

    NASA Astrophysics Data System (ADS)

    Andrews, J. R.; Hochstrasser, R. M.

    1981-09-01

    A difference frequency resonance has been observed for the 747 cm -1 vibration in the first excited singlet state of pentacene in benzoic acid. The resonance is absent at low temperature (4.5 K) and its appearance is exponentially activated with an activation energy of 13.8 cm -1. These observations are compared to theoretical expectations.

  1. High-resolution J-resolved NMR spectra of dilute spins in solids

    NASA Astrophysics Data System (ADS)

    Terao, T.; Miura, H.; Saika, A.

    1981-08-01

    A technique for obtaining J-resolved NMR spectra of dilute spins in solids has been developed. It is based on the observation that a combination of magic-angle irradiation and magic-angle spinning removes dipolar broadening, but leaves indirect spin-spin coupling. A preliminary application of this technique to adamantane clearly reveals the AX (J = 121 Hz) and AX (J = 135 Hz) multiplets in the methylene and methyne 13C spectrum, respectively.

  2. Soliton excitations and stability in a square lattice model of ferromagnetic spin system

    NASA Astrophysics Data System (ADS)

    Latha, M. M.; Anitha, T.

    2015-12-01

    We investigate the nature of nonlinear spin excitations in a square lattice model of ferromagnetic (FM) spin system with bilinear and biquadratic interactions. Using the coherent state ansatz combined with the Holstein-Primakoff (HP) bosonic representation of spin operators, the dynamics is found to be governed by a discrete nonlinear equation which possesses soliton solution. The modulational instability aspects of the soliton excitations are analysed for small perturbations in wave vectors.

  3. Theoretical formalism for collective spin-wave edge excitations in arrays of dipolarly interacting magnetic nanodots

    NASA Astrophysics Data System (ADS)

    Lisenkov, Ivan; Tyberkevych, Vasyl; Nikitov, Sergey; Slavin, Andrei

    2016-06-01

    A general theory of collective spin-wave edge modes in semi-infinite and finite periodic arrays of magnetic nanodots having uniform dynamic magnetization (macrospin approximation) is developed. The theory is formulated using a formalism of multivectors of magnetization dynamics, which allows one to study edge modes in arrays having arbitrarily complex primitive cells and lattice structure. The developed formalism can describe spin-wave edge modes localized both at the physical edges of the array and at the internal "domain walls" separating the array regions existing in different static magnetization states. Using a perturbation theory, in the framework of the developed formalism, it is possible to calculate damping of the edge modes and to describe their excitation by external variable magnetic fields. The theory is illustrated on the following practically important examples: (i) calculation of the FMR absorption in a finite nanodot array having the shape of a right triangle; (ii) calculation of the spectra of nonreciprocal spin-wave edge modes, including the modes at the physical edges of an array and modes at the domain walls inside the array; and (iii) study of the influence of the domain wall modes on the FMR spectrum of an array existing in a nonideal chessboard antiferromagnetic ground state.

  4. Laser-excited fluorescence spectra of atomic uranium

    SciTech Connect

    Wang Songyue; Jin Changtai; Shen Mingtao; Wang Xiulan

    1987-05-01

    Using a dc-supply hollow-cathode lamp as a source of uranium vapor and a rhodamine 6G dye laser to excite the vapor optically, it was simple and convenient to detect fluorescence from uranium atoms at 753.393, 763.175, and 763.954 nm. We give a detailed discussion of how we eliminated the intense background emissions, which were principally due to the lamp.

  5. Spinon excitation spectra of the J1-J2 chain from analytical calculations in the dimer basis and exact diagonalization

    NASA Astrophysics Data System (ADS)

    Lavarélo, Arthur; Roux, Guillaume

    2014-10-01

    The excitation spectrum of the frustrated spin-1/2 Heisenberg chain is reexamined using variational and exact diagonalization calculations. We show that the overlap matrix of the short-range resonating valence bond states basis can be inverted which yields tractable equations for single and two spinons excitations. Older results are recovered and new ones, such as the bond-state dispersion relation and its size with momentum at the Majumdar-Ghosh point are found. In particular, this approach yields a gap opening at J 2 = 0.25 J 1 and an onset of incommensurability in the dispersion relation at J 2 = 9/17 J 1 as in [S. Brehmer et al., J. Phys.: Condens. Matter 10, 1103 (1998)]. These analytical results provide a good support for the understanding of exact diagonalization spectra, assuming an independent spinons picture.

  6. Quantum spin excitations through the metal-to-insulator crossover in YBa2Cu3O6+y

    SciTech Connect

    Li, Shiliang; Yamani, Zahra; Kang, H. J.; Segawa, Kouji; Ando, Y.; Yao, Xin; Mook Jr, Herbert A; Dai, Pengcheng

    2008-01-01

    We use inelastic neutron scattering to study the temperature dependence of the spin excitations of a detwinned superconducting YBa{sub 2}Cu{sub 3}O{sub 6.45} ({Tc}=48 K). In contrast to earlier work on YBa{sub 2}Cu{sub 3}O{sub 6.5} ({Tc}=58 K), where the prominent features in the magnetic spectra consist of a sharp collective magnetic excitation termed 'resonance' and a large ({Dirac_h}{omega}{approx}15 meV) superconducting spin gap, we find that the spin excitations in YBa{sub 2}Cu{sub 3}O{sub 6.45} are gapless and have a much broader resonance. Our detailed mapping of magnetic scattering along the a*/b*-axis directions at different energies reveals that spin excitations are unisotropic and consistent with the 'hourglass-like' dispersion along the a*-axis direction near the resonance, but they are isotropic at lower energies. Since a fundamental change in the low-temperature normal state of YBa{sub 2}Cu{sub 3}O{sub 6+y} when superconductivity is suppressed takes place at y{approx}0.5 with a metal-to-insulator crossover (MIC), where the ground state transforms from a metallic to an insulating-like phase, our results suggest a clear connection between the large change in spin excitations and the MIC. The resonance therefore is a fundamental feature of metallic ground state superconductors and a consequence of high-{Tc} superconductivity.

  7. Nuclear Spin Orientation Dependence of Magnetoconductance: A New Method for Measuring the Spin of Charged Excitations in the QHE

    SciTech Connect

    Bowers, C.R.; Reno, J.L.; Simmons, J.A.; Vitkalov, S.A.

    1998-12-01

    A new method for measuring the spin of the electrically charged ground state excitations m the Q$j~j quantum Hall effect ia proposed and demonstmted for the tirst time in GaAs/AIGaAs nndtiquantum wells. The method is &sed on the nuclear spin orientation dependence of" the 2D dc conductivity y in the quantum Hall regime due to the nuclear hyperfine interaction. As a demonstration of this method the spin of the electrically charged excitations of the ground state is determined at filling factor v = 1.

  8. Mode Locking of Spin Waves Excited by Direct Currents in Microwave Nano-oscillators

    NASA Astrophysics Data System (ADS)

    Rezende, S. M.; de Aguiar, F. M.; Rodríguez-Suárez, R. L.; Azevedo, A.

    2007-02-01

    A spin-wave theory is presented which explains the frequency pulling and mode locking observed when two closely spaced spin-transfer nanometer-scale oscillators with slightly different frequencies are separately driven in the same magnetic thin film by spin-polarized carriers at high direct-current densities. The theory confirms recent experimental evidence that the origin of the phenomena lies in the nonlinear interaction between two overlapping spin waves excited in the magnetic nanostructure.

  9. Equilibrium excited state and emission spectra of molecular aggregates from the hierarchical equations of motion approach

    NASA Astrophysics Data System (ADS)

    Jing, Yuanyuan; Chen, Liping; Bai, Shuming; Shi, Qiang

    2013-01-01

    The hierarchical equations of motion (HEOM) method was applied to calculate the emission spectra of molecular aggregates using the Frenkel exciton model. HEOM equations for the one-exciton excited state were first propagated until equilibration. The reduced density operator and auxiliary density operators (ADOs) were used to characterize the coupled system-bath equilibrium. The dipole-dipole correlation functions were then calculated to obtain the emission spectra of model dimers, and the B850 band of light-harvesting complex II (LH2) in purple bacteria. The effect of static disorder on equilibrium excited state and the emission spectra of LH2 was also explicitly considered. Several approximation schemes, including the high temperature approximation (HTA) of the HEOM, a modified version of the HTA, the stochastic Liouville equation approach, the perturbative time-local and time-nonlocal generalized quantum master equations, were assessed in the calculation of the equilibrium excited state and emission spectra.

  10. Solid-state proton NMR of paramagnetic metal complexes: DANTE spin echoes for selective excitation in inhomogeneously broadened lines

    NASA Astrophysics Data System (ADS)

    Carnevale, Diego; Perez Linde, A. J.; Bauer, Gerald; Bodenhausen, Geoffrey

    2013-08-01

    The paramagnetic complex bis(oxazolinylphenyl)amine-Fe(III)Cl2 is investigated by means of solid-state proton NMR at 18.8 T (800 MHz) using magic-angle spinning at 65 kHz. Spin echoes that are excited and refocused by combs of rotor-synchronized pulses in the manner of 'Delays Alternating with Nutation for Tailored Excitation' (DANTE) allow one to characterize different chemical environments that severely overlap in conventional MAS spectra. Such sequences combine two apparently contradictory features: an overall bandwidth exceeding several MHz, and very selective irradiation of a few kHz within inhomogeneously broadened sidebands. The experimental hyperfine interactions correlate well with DFT calculations.

  11. Stripe phase and double-roton excitations in interacting spin-orbit-coupled spin-1 Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Sun, Kuei; Qu, Chunlei; Xu, Yong; Zhang, Yongping; Zhang, Chuanwei

    Spin-orbit (SO) coupling plays a major role in many important phenomena in condensed matter physics. However, the SO coupling physics in high-spin systems, especially with superfluids, has not been well explored because of the spin half of electrons in solids. In this context, the recent experimental realization of spin-orbit coupling in spin-1 Bose-Einstein condensates (BECs) has opened a completely new avenue for exploring SO-coupled high-spin superfluids. Nevertheless, the experiment has only revealed the single-particle physics of the system. Here, we study the effects of interactions between atoms on the ground states and collective excitations of SO-coupled spin-1 BECs in the presence of a spin-tensor potential. We find that ferromagnetic interaction between atoms can induce a stripe phase exhibiting two modulating patterns. We characterize the phase transitions between different phases using the spin-tensor density as well as the collective dipole motion of the BEC. We show that there exists a new type of double maxon-roton structure in the Bogoliubov-excitation spectrum, attributing to the three band minima of the SO-coupled spin-1 BEC. Our work could motivate further theoretical and experimental study along this direction.

  12. High-energy damping by particle-hole excitations in the spin-wave spectrum of iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Leong, Zhidong; Lee, Wei-Cheng; Lv, Weicheng; Phillips, Philip

    2014-09-01

    Using a degenerate double-exchange model, we investigate the spin excitation spectra of iron pnictides. The model consists of local spin moments on each Fe site, as well as itinerant electrons from the degenerate dxz and dyz orbitals. The local moments interact with each other through antiferromagnetic J1-J2 Heisenberg interactions, and they couple to the itinerant electrons through a ferromagnetic Hund coupling. We employ the fermionic spinon representation for the local moments and perform a generalized random-phase approximation calculation on both spinons and itinerant electrons. We find that in the (π ,0) magnetically ordered state, the spin-wave excitation at (π,π) is pushed to a higher energy due to the presence of itinerant electrons, which is consistent with a previous study using the Holstein-Primakoff transformation. In the paramagnetic state, the particle-hole continuum keeps the collective spin excitation near (π,π) at a higher energy even without any C4 symmetry breaking. The implications for recent high-temperature neutron scattering measurements will be discussed.

  13. Fractionalization, entanglement, and separation: Understanding the collective excitations in a spin-orbital chain

    NASA Astrophysics Data System (ADS)

    Chen, Cheng-Chien; van Veenendaal, Michel; Devereaux, Thomas P.; Wohlfeld, Krzysztof

    2015-04-01

    Using a combined analytical and numerical approach, we study the collective spin and orbital excitations in a spin-orbital chain under a crystal field. Irrespective of the crystal-field strength, these excitations can be universally described by fractionalized fermions. The fractionalization phenomenon persists and contrasts strikingly with the case of a spin chain, where fractionalized spinons cannot be individually observed but confined to form magnons in a strong magnetic field. In the spin-orbital chain, each of the fractional quasiparticles carries both spin and orbital quantum numbers, and the two variables are always entangled in the collective excitations. Our result further shows that the recently reported separation phenomenon occurs when crystal fields fully polarize the orbital degrees of freedom. In this case, however, the spinon and orbiton dynamics are decoupled solely because of a redefinition of the spin and orbital quantum numbers.

  14. Pressure dependence of donor excitation spectra in AlSb

    SciTech Connect

    Hsu, L.; McCluskey, M.D.; Haller, E.E.

    2002-01-16

    We have investigated the behavior of ground to bound excited-state electronic transitions of Se and Te donors in AlSb as a function of hydrostatic pressure. Using broadband far-infrared Fourier transform spectroscopy, we observe qualitatively different behaviors of the electronic transition energies of the two donors. While the pressure derivative of the Te transition energy is small and constant, as might be expected for a shallow donor, the pressure derivatives of the Se transition energies are quadratic and large at low pressures, indicating that Se is actually a deep donor. In addition, at pressures between 30 and 50 kbar, we observe evidence of an anti-crossing between one of the selenium electronic transitions and a two-phonon mode.

  15. Flow angle dependent photoacoustic Doppler power spectra under intensity-modulated continuous wave laser excitation

    NASA Astrophysics Data System (ADS)

    Tong, Yu; Zhao, Hongcai; Fang, Hui; Zhao, Youquan; Yuan, Xiaocong

    2016-02-01

    Photoacoustic Doppler (PAD) power spectra showing an evident Doppler shift represent the major characteristics of the continuous wave-excited or burst wave-excited versions of PAD flow measurements. In this paper, the flow angle dependences of the PAD power spectra are investigated using an experiment setup that was established based on intensity-modulated continuous wave laser excitation. The setup has an overall configuration that is similar to a previously reported configuration, but is more sophisticated in that it accurately aligns the laser illumination with the ultrasound detection process, and in that it picks up the correct sample position. In the analysis of the power spectra data, we find that the background power spectra can be extracted by combining the output signals from the two channels of the lock-in amplifier, which is very useful for identification of the PAD power spectra. The power spectra are presented and analyzed in opposite flow directions, at different flow speeds, and at different flow angles. The power spectra at a 90° flow angle show the unique properties of symmetrical shapes due to PAD broadening. For the other flow angles, the smoothed power spectra clearly show a flow angle cosine relationship.

  16. Spin-wave excitation and propagation in microstructured waveguides of yttrium iron garnet/Pt bilayers

    NASA Astrophysics Data System (ADS)

    Pirro, P.; Brächer, T.; Chumak, A. V.; Lägel, B.; Dubs, C.; Surzhenko, O.; Görnert, P.; Leven, B.; Hillebrands, B.

    2014-01-01

    We present an experimental study of spin-wave excitation and propagation in microstructured waveguides consisting of a 100 nm thick yttrium iron garnet/platinum (Pt) bilayer. The life time of the spin waves is found to be more than an order of magnitude higher than in comparably sized metallic structures, despite the fact that the Pt capping enhances the Gilbert damping. Utilizing microfocus Brillouin light scattering spectroscopy, we reveal the spin-wave mode structure for different excitation frequencies. An exponential spin-wave amplitude decay length of 31 μm is observed which is a significant step towards low damping, insulator based micro-magnonics.

  17. Spin-wave excitation and propagation in microstructured waveguides of yttrium iron garnet/Pt bilayers

    SciTech Connect

    Pirro, P.; Chumak, A. V.; Lägel, B.; Leven, B.; Hillebrands, B.; Brächer, T.; Dubs, C.; Surzhenko, O.; Görnert, P.

    2014-01-06

    We present an experimental study of spin-wave excitation and propagation in microstructured waveguides consisting of a 100 nm thick yttrium iron garnet/platinum (Pt) bilayer. The life time of the spin waves is found to be more than an order of magnitude higher than in comparably sized metallic structures, despite the fact that the Pt capping enhances the Gilbert damping. Utilizing microfocus Brillouin light scattering spectroscopy, we reveal the spin-wave mode structure for different excitation frequencies. An exponential spin-wave amplitude decay length of 31 μm is observed which is a significant step towards low damping, insulator based micro-magnonics.

  18. Using Markov models to simulate electron spin resonance spectra from molecular dynamics trajectories.

    PubMed

    Sezer, Deniz; Freed, Jack H; Roux, Benoit

    2008-09-01

    Simulating electron spin resonance (ESR) spectra directly from molecular dynamics simulations of a spin-labeled protein necessitates a large number (hundreds or thousands) of relatively long (hundreds of nanoseconds) trajectories. To meet this challenge, we explore the possibility of constructing accurate stochastic models of the spin label dynamics from atomistic trajectories. A systematic, two-step procedure, based on the probabilistic framework of hidden Markov models, is developed to build a discrete-time Markov chain process that faithfully captures the internal spin label dynamics on time scales longer than about 150 ps. The constructed Markov model is used both to gain insight into the long-lived conformations of the spin label and to generate the stochastic trajectories required for the simulation of ESR spectra. The methodology is illustrated with an application to the case of a spin-labeled poly alanine alpha helix in explicit solvent. PMID:18698714

  19. Doping dependence of spin excitations and its correlations with high-temperature superconductivity in iron pnictides

    PubMed Central

    Wang, Meng; Zhang, Chenglin; Lu, Xingye; Tan, Guotai; Luo, Huiqian; Song, Yu; Wang, Miaoyin; Zhang, Xiaotian; Goremychkin, E.A.; Perring, T.G.; Maier, T.A.; Yin, Zhiping; Haule, Kristjan; Kotliar, Gabriel; Dai, Pengcheng

    2013-01-01

    High-temperature superconductivity in iron pnictides occurs when electrons and holes are doped into their antiferromagnetic parent compounds. Since spin excitations may be responsible for electron pairing and superconductivity, it is important to determine their electron/hole-doping evolution and connection with superconductivity. Here we use inelastic neutron scattering to show that while electron doping to the antiferromagnetic BaFe2As2 parent compound modifies the low-energy spin excitations and their correlation with superconductivity (<50 meV) without affecting the high-energy spin excitations (>100 meV), hole-doping suppresses the high-energy spin excitations and shifts the magnetic spectral weight to low-energies. In addition, our absolute spin susceptibility measurements for the optimally hole-doped iron pnictide reveal that the change in magnetic exchange energy below and above Tc can account for the superconducting condensation energy. These results suggest that high-Tc superconductivity in iron pnictides is associated with both the presence of high-energy spin excitations and a coupling between low-energy spin excitations and itinerant electrons. PMID:24301219

  20. Observations of thermally excited ferromagnetic resonance on spin torque oscillators having a perpendicularly magnetized free layer

    SciTech Connect

    Tamaru, S. Kubota, H.; Yakushiji, K.; Konoto, M.; Nozaki, T.; Fukushima, A.; Imamura, H.; Taniguchi, T.; Arai, H.; Tsunegi, S.; Yuasa, S.; Suzuki, Y.

    2014-05-07

    Measurements of thermally excited ferromagnetic resonance were performed on spin torque oscillators having a perpendicularly magnetized free layer and in-plane magnetized reference layer (abbreviated as PMF-STO in the following) for the purpose of obtaining magnetic properties in the PMF-STO structure. The measured spectra clearly showed a large main peak and multiple smaller peaks on the high frequency side. A Lorentzian fit on the main peak yielded Gilbert damping factor of 0.0041. The observed peaks moved in proportion to the out-of-plane bias field. From the slope of the main peak frequency as a function of the bias field, Lande g factor was estimated to be about 2.13. The mode intervals showed a clear dependence on the diameter of the PMF-STOs, i.e., intervals are larger for a smaller diameter. These results suggest that the observed peaks should correspond to eigenmodes of lateral spin wave resonance in the perpendicularly magnetized free layer.

  1. Observations of thermally excited ferromagnetic resonance on spin torque oscillators having a perpendicularly magnetized free layer

    NASA Astrophysics Data System (ADS)

    Tamaru, S.; Kubota, H.; Yakushiji, K.; Konoto, M.; Nozaki, T.; Fukushima, A.; Imamura, H.; Taniguchi, T.; Arai, H.; Tsunegi, S.; Yuasa, S.; Suzuki, Y.

    2014-05-01

    Measurements of thermally excited ferromagnetic resonance were performed on spin torque oscillators having a perpendicularly magnetized free layer and in-plane magnetized reference layer (abbreviated as PMF-STO in the following) for the purpose of obtaining magnetic properties in the PMF-STO structure. The measured spectra clearly showed a large main peak and multiple smaller peaks on the high frequency side. A Lorentzian fit on the main peak yielded Gilbert damping factor of 0.0041. The observed peaks moved in proportion to the out-of-plane bias field. From the slope of the main peak frequency as a function of the bias field, Lande g factor was estimated to be about 2.13. The mode intervals showed a clear dependence on the diameter of the PMF-STOs, i.e., intervals are larger for a smaller diameter. These results suggest that the observed peaks should correspond to eigenmodes of lateral spin wave resonance in the perpendicularly magnetized free layer.

  2. Driving Spin Excitations by Hydrostatic Pressure in BiFeO(3).

    PubMed

    Buhot, J; Toulouse, C; Gallais, Y; Sacuto, A; de Sousa, R; Wang, D; Bellaiche, L; Bibes, M; Barthélémy, A; Forget, A; Colson, D; Cazayous, M; Measson, M-A

    2015-12-31

    Optical spectroscopy has been combined with computational and theoretical techniques to show how the spin dynamics in the model multiferroic BiFeO(3) responds to the application of hydrostatic pressure and its corresponding series of structural phase transitions from R3c to the Pnma phases. As pressure increases, multiple spin excitations associated with noncollinear cycloidal magnetism collapse into two excitations, which show jump discontinuities at some of the ensuing crystal phase transitions. The effective Hamiltonian approach provides information on the electrical polarization and structural changes of the oxygen octahedra through the successive structural phases. The extracted parameters are then used in a Ginzburg-Landau model to reproduce the evolution with pressure of the spin wave excitations observed at low energy, and we demonstrate that the structural phases and the magnetic anisotropy drive and control the spin excitations. PMID:26765020

  3. Deviation from exponential decay for spin waves excited with a coplanar waveguide antenna

    NASA Astrophysics Data System (ADS)

    Birt, Daniel R.; An, Kyongmo; Tsoi, Maxim; Tamaru, Shingo; Ricketts, David; Wong, Kin L.; Khalili Amiri, Pedram; Wang, Kang L.; Li, Xiaoqin

    2012-12-01

    We have investigated the propagation of surface spin waves in a Permalloy thin film excited by an asymmetric coplanar antenna. A surprising oscillatory behavior superimposed on the exponential decay is observed in the spin wave intensity mapped with the micro-Brillouin light scattering technique. The oscillations can be modeled as the interference between a propagating spin wave and a background magnetization with spatially uniform phase. We use a simple closed-form equation that includes both contributions to fit our experimental results. From the fit results, we extract the spin wave propagation length and the spin wave vector in a frequency range limited by the antenna bandwidth.

  4. Low-energy electrodynamics of novel spin excitations in the quantum spin ice Yb₂Ti₂O₇.

    PubMed

    Pan, LiDong; Kim, Se Kwon; Ghosh, A; Morris, Christopher M; Ross, Kate A; Kermarrec, Edwin; Gaulin, Bruce D; Koohpayeh, S M; Tchernyshyov, Oleg; Armitage, N P

    2014-01-01

    In condensed matter systems, formation of long-range order (LRO) is often accompanied by new excitations. However, in many geometrically frustrated magnetic systems, conventional LRO is suppressed, while non-trivial spin correlations are still observed. A natural question to ask is then what is the nature of the excitations in this highly correlated state without broken symmetry? Frequently, applying a symmetry breaking field stabilizes excitations whose properties reflect certain aspects of the anomalous state without LRO. Here we report a THz spectroscopy study of novel excitations in quantum spin ice Yb2Ti2O7 under a <001> directed magnetic field. At large positive fields, both right- and left-handed magnon and two-magnon-like excitations are observed. The g-factors of these excitations are dramatically enhanced in the low-field limit, showing a crossover of these states into features consistent with the quantum string-like excitations proposed to exist in quantum spin ice in small <001> fields. PMID:25233136

  5. Detection of nanoscale electron spin resonance spectra demonstrated using nitrogen-vacancy centre probes in diamond

    NASA Astrophysics Data System (ADS)

    Hall, L. T.; Kehayias, P.; Simpson, D. A.; Jarmola, A.; Stacey, A.; Budker, D.; Hollenberg, L. C. L.

    2016-01-01

    Electron spin resonance (ESR) describes a suite of techniques for characterizing electronic systems with applications in physics, chemistry, and biology. However, the requirement for large electron spin ensembles in conventional ESR techniques limits their spatial resolution. Here we present a method for measuring ESR spectra of nanoscale electronic environments by measuring the longitudinal relaxation time of a single-spin probe as it is systematically tuned into resonance with the target electronic system. As a proof of concept, we extracted the spectral distribution for the P1 electronic spin bath in diamond by using an ensemble of nitrogen-vacancy centres, and demonstrated excellent agreement with theoretical expectations. As the response of each nitrogen-vacancy spin in this experiment is dominated by a single P1 spin at a mean distance of 2.7 nm, the application of this technique to the single nitrogen-vacancy case will enable nanoscale ESR spectroscopy of atomic and molecular spin systems.

  6. Ultrafast spin-transfer torque driven by femtosecond pulsed-laser excitation.

    PubMed

    Schellekens, A J; Kuiper, K C; de Wit, R R J C; Koopmans, B

    2014-01-01

    Spin currents have an important role in many proposed spintronic devices, as they govern the switching process of magnetic bits in random access memories or drive domain wall motion in magnetic shift registers. The generation of these spin currents has to be fast and energy efficient for realization of these envisioned devices. Recently it has been shown that femtosecond pulsed-laser excitation of thin magnetic films creates intense and ultrafast spin currents. Here we utilize this method to change the orientation of the magnetization in a magnetic bilayer by spin-transfer torque on sub-picosecond timescales. By analysing the dynamics of the magnetic bilayer after laser excitation, the rich physics governing ultrafast spin-transfer torque are elucidated opening up new pathways to ultrafast magnetization reversal, but also providing a new method to quantify optically induced spin currents generated on femtosecond timescales. PMID:25007881

  7. Collective Character of Spin Excitations in a System of Mn2+ Spins Coupled to a Two-Dimensional Electron Gas

    NASA Astrophysics Data System (ADS)

    Teran, F. J.; Potemski, M.; Maude, D. K.; Plantier, D.; Hassan, A. K.; Sachrajda, A.; Wilamowski, Z.; Jaroszynski, J.; Wojtowicz, T.; Karczewski, G.

    2003-08-01

    We have studied the low energy spin excitations in n-type CdMnTe based dilute magnetic semiconductor quantum wells. For magnetic fields for which the energies for the excitation of free carriers and Mn spins are almost identical, an anomalously large Knight shift is observed. Our findings suggest the existence of a magnetic-field-induced ferromagnetic order in these structures, which is in agreement with recent theoretical predictions [

    J. König and A. H. MacDonald, Phys. Rev. Lett.PRLTAO0031-9007 91, 077202 (2003)
    ].

  8. Molecular dynamics in paramagnetic materials as studied by magic-angle spinning 2H NMR spectra.

    PubMed

    Mizuno, Motohiro; Suzuki, You; Endo, Kazunaka; Murakami, Miwa; Tansho, Masataka; Shimizu, Tadashi

    2007-12-20

    A magic-angle spinning (MAS) 2H NMR experiment was applied to study the molecular motion in paramagnetic compounds. The temperature dependences of 2H MAS NMR spectra were measured for paramagnetic [M(H2O)6][SiF6] (M=Ni2+, Mn2+, Co2+) and diamagnetic [Zn(H2O)6][SiF6]. The paramagnetic compounds exhibited an asymmetric line shape in 2H MAS NMR spectra because of the electron-nuclear dipolar coupling. The drastic changes in the shape of spinning sideband patterns and in the line width of spinning sidebands due to the 180 degrees flip of water molecules and the reorientation of [M(H2O)6]2+ about its C3 axis were observed. In the paramagnetic compounds, paramagnetic spin-spin relaxation and anisotropic g-factor result in additional linebroadening of each of the spinning sidebands. The spectral simulation of MAS 2H NMR, including the effects of paramagnetic shift and anisotropic spin-spin relaxation due to electron-nuclear dipolar coupling and anisotropic g-factor, was performed for several molecular motions. Information about molecular motions in the dynamic range of 10(2) s(-1)spectra when these paramagnetic effects are taken into account. PMID:18027914

  9. Semiclassical excited-state signatures of quantum phase transitions in spin chains with variable-range interactions

    NASA Astrophysics Data System (ADS)

    Gessner, Manuel; Bastidas, Victor Manuel; Brandes, Tobias; Buchleitner, Andreas

    2016-04-01

    We study the excitation spectrum of a family of transverse-field spin chain models with variable interaction range and arbitrary spin S , which in the case of S =1 /2 interpolates between the Lipkin-Meshkov-Glick and the Ising model. For any finite number N of spins, a semiclassical energy manifold is derived in the large-S limit employing bosonization methods, and its geometry is shown to determine not only the leading-order term but also the higher-order quantum fluctuations. Based on a multiconfigurational mean-field ansatz, we obtain the semiclassical backbone of the quantum spectrum through the extremal points of a series of one-dimensional energy landscapes—each one exhibiting a bifurcation when the external magnetic field drops below a threshold value. The obtained spectra become exact in the limit of vanishing or very strong external, transverse magnetic fields. Further analysis of the higher-order corrections in 1 /√{2 S } enables us to analytically study the dispersion relations of spin-wave excitations around the semiclassical energy levels. Within the same model, we are able to investigate quantum bifurcations, which occur in the semiclassical (S ≫1 ) limit, and quantum phase transitions, which are observed in the thermodynamic (N →∞ ) limit.

  10. Spin excitations and correlations in scanning tunneling spectroscopy

    NASA Astrophysics Data System (ADS)

    Ternes, Markus

    2015-06-01

    In recent years inelastic spin-flip spectroscopy using a low-temperature scanning tunneling microscope has been a very successful tool for studying not only individual spins but also complex coupled systems. When these systems interact with the electrons of the supporting substrate correlated many-particle states can emerge, making them ideal prototypical quantum systems. The spin systems, which can be constructed by arranging individual atoms on appropriate surfaces or embedded in synthesized molecular structures, can reveal very rich spectral features. Up to now the spectral complexity has only been partly described. This manuscript shows that perturbation theory enables one to describe the tunneling transport, reproducing the differential conductance with surprisingly high accuracy. Well established scattering models, which include Kondo-like spin-spin and potential interactions, are expanded to enable calculation of arbitrary complex spin systems in reasonable time scale and the extraction of important physical properties. The emergence of correlations between spins and, in particular, between the localized spins and the supporting bath electrons are discussed and related to experimentally tunable parameters. These results might stimulate new experiments by providing experimentalists with an easily applicable modeling tool.

  11. Effects of Rapid Spin on the Spectra and Pulse Profiles of Neutron Stars

    NASA Astrophysics Data System (ADS)

    Ozel, Feryal; Psaltis, Dimitrios; Baubock, Michi; Chakrabarty, Deepto; Morsink, Sharon

    2014-08-01

    A large number of sources that are prime targets for determining neutron star masses and radii spin at 300-700 Hz. At these high spin frequencies, neutron stars become oblate and their spacetime acquires a significant quadrupole moment. In this talk, I will present the rotational broadening and distortion of thermal and line spectra due to these effects. I will also discuss the asymmetry and the energy dependence introduced by the stellar spin to X-ray pulse profiles. I will conclude by describing ways to mitigate and/or exploit these rapid spin effects when measuring neutron star radii.

  12. Homodyne-detected ferromagnetic resonance of in-plane magnetized nanocontacts: Composite spin-wave resonances and their excitation mechanism

    NASA Astrophysics Data System (ADS)

    Fazlali, Masoumeh; Dvornik, Mykola; Iacocca, Ezio; Dürrenfeld, Philipp; Haidar, Mohammad; Åkerman, Johan; Dumas, Randy K.

    2016-04-01

    This work provides a detailed investigation of the measured in-plane field-swept homodyne-detected ferromagnetic resonance (FMR) spectra of an extended Co/Cu/NiFe pseudo-spin-valve stack using a nanocontact (NC) geometry. The magnetodynamics are generated by a pulse-modulated microwave current, and the resulting rectified dc mixing voltage, which appears across the NC at resonance, is detected using a lock-in amplifier. Most notably, we find that the measured spectra of the NiFe layer are composite in nature and highly asymmetric, consistent with the broadband excitation of multiple modes. Additionally, the data must be fit with two Lorentzian functions in order to extract a reasonable value for the Gilbert damping of the NiFe. Aided by micromagnetic simulations, we conclude that (i) for in-plane fields the rf Oersted field in the vicinity of the NC plays the dominant role in generating the observed spectra, (ii) in addition to the FMR mode, exchange-dominated spin waves are also generated, and (iii) the NC diameter sets the mean wave vector of the exchange-dominated spin wave, in good agreement with the dispersion relation.

  13. Comparative analysis of the optical spectra of the holmium atom excited by electron impact and ionic bombardment

    SciTech Connect

    Vasileva, E.K.; Morozov, S.N.; Ryskin, B.V.

    1988-02-01

    A comparative analysis of the optical spectra of holmium excited by electron impact and ionic bombardment is given. It is shown that under ionic bombardment, the probability of excitation of screened transitions is significantly higher than under electron impact.

  14. Study of two-photon excitation spectra of organic compounds absorbing in the UV region

    SciTech Connect

    Babenko, V A; Sychev, Andrei A

    2004-12-31

    A method is proposed for recording two-photon excitation (TPE) spectra of organic compounds with the help of picosecond pulses from a dye laser tunable in the range from 550 to 640 nm. The TPE spectra are obtained for organic scintillators and drugs: paraterphenyl in liquid and solid phases, stilbene single crystal and Streptocid powder, having a one-photon absorption band in the region from 270 to 350 nm. It is shown that the vibronic structure in the TPE spectra of these compounds is independent of their aggregate state and is an individual characteristic of each of the compounds. (active media)

  15. Excitation spectra and correlation functions of quantum Su-Schrieffer-Heeger models

    NASA Astrophysics Data System (ADS)

    Weber, Manuel; Assaad, Fakher F.; Hohenadler, Martin

    2015-06-01

    We study one-dimensional Su-Schrieffer-Heeger (SSH) models with quantum phonons using a continuous-time quantum Monte Carlo method. Within statistical errors, we obtain identical results for the SSH model with acoustic phonons, and a related model with a coupling to an optical bond phonon mode. Based on this agreement, we first study the Peierls metal-insulator transition of the spinless SSH model, and relate it to the Kosterlitz-Thouless transition of a spinless Luttinger liquid. In the Peierls phase, the spectral functions reveal the single-particle and charge gap, and a central peak related to long-range order. For the spinful SSH model, which has a dimerized ground state for any nonzero coupling, we reveal a symmetry-related degeneracy of spin and charge excitations, and the expected spin and charge gaps as well as a central peak. Finally, we study the SSH-U V model with electron-phonon and electron-electron interaction. We observe a Mott phase with critical spin and bond correlations at weak electron-phonon coupling, and a Peierls phase with gapped spin excitations at strong coupling. We relate our findings to the extended Hubbard model, and discuss the physical origin of the agreement between optical and acoustic phonons.

  16. Investigation of the spectra of luminescence and Raman scattering in water and chlorophyll "a" excited by femtosecond laser pulses

    NASA Astrophysics Data System (ADS)

    Biryukova, Yu. S.; Ilyin, A. A.; Golik, S. S.; Mayor, A. Y.

    2015-11-01

    The Raman spectra of femtosecond laser pulses in distilled and tap water, and luminescence spectra of aqueous solutions containing dissolved organic matter, chlorophyll "a" and biological objects excited by ultra-short laser pulses was investigated.

  17. Fluorescence, Absorption, and Excitation Spectra of Polycyclic Aromatic Hydrocarbons as a Tool for Quantitative Analysis

    ERIC Educational Resources Information Center

    Rivera-Figueroa, A. M.; Ramazan, K. A.; Finlayson-Pitts, B. J.

    2004-01-01

    A quantitative and qualitative study of the interplay between absorption, fluorescence, and excitation spectra of pollutants called polycyclic aromatic hydrocarbons (PAHs) is conducted. The study of five PAH displays the correlation of the above-mentioned properties along with the associated molecular changes.

  18. Discernment of lint trash in raw cotton using multivariate analysis of excitation-emission luminescence spectra

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Excitation-Emission luminescence spectra of basic (pH 12.5) phosphate buffer solution extracts were used to distinguish among botanical components of trash within seed cotton. All components were separated from whole plants removed from a field in southern New Mexico. Unfolded Principal Component An...

  19. Application of multi-way data analysis on excitation-emission spectra for plant identification

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The ability to distinguish among diets fed to Damascus goats using excitation-emission luminescence spectra was investigated. These diets consisted of Medicago sativa L. (Alfalfa), Trifolium spp (Clover), Pistacia lentiscus (P. lentiscus), Phyllirea latifolia (P. latifolia), and Pinus brutia (P. bru...

  20. Spin excitations in systems with hopping electron transport and strong position disorder in a large magnetic field.

    PubMed

    Shumilin, A V

    2016-10-01

    We discuss the spin excitations in systems with hopping electron conduction and strong position disorder. We focus on the problem in a strong magnetic field when the spin Hamiltonian can be reduced to the effective single-particle Hamiltonian and treated with conventional numerical technics. It is shown that in a 3D system with Heisenberg exchange interaction the spin excitations have a delocalized part of the spectrum even in the limit of strong disorder, thus leading to the possibility of the coherent spin transport. The spin transport provided by the delocalized excitations can be described by a diffusion coefficient. Non-homogenous magnetic fields lead to the Anderson localization of spin excitations while anisotropy of the exchange interaction results in the Lifshitz localization of excitations. We discuss the possible effect of the additional exchange-driven spin diffusion on the organic spin-valve devices. PMID:27484892

  1. Spin dynamics of an individual Cr atom in a semiconductor quantum dot under optical excitation

    NASA Astrophysics Data System (ADS)

    Lafuente-Sampietro, A.; Utsumi, H.; Boukari, H.; Kuroda, S.; Besombes, L.

    2016-08-01

    We studied the spin dynamics of a Cr atom incorporated in a II-VI semiconductor quantum dot using photon correlation techniques. We used recently developed singly Cr-doped CdTe/ZnTe quantum dots to access the spin of an individual magnetic atom. Auto-correlation of the photons emitted by the quantum dot under continuous wave optical excitation reveals fluctuations of the localized spin with a timescale in the 10 ns range. Cross-correlation gives quantitative transfer time between Cr spin states. A calculation of the time dependence of the spin levels population in Cr-doped quantum dots shows that the observed spin dynamics is dominated by the exciton-Cr interaction. These measurements also provide a lower bound in the 20 ns range for the intrinsic Cr spin relaxation time.

  2. Existence of an exotic torus configuration in high-spin excited states of 40Ca.

    PubMed

    Ichikawa, T; Maruhn, J A; Itagaki, N; Matsuyanagi, K; Reinhard, P-G; Ohkubo, S

    2012-12-01

    We investigate the possibility of the existence of the exotic torus configuration in the high-spin excited states of (40)Ca. We here consider the spin alignments about the symmetry axis. To this end, we use a three-dimensional cranked Skyrme Hartree-Fock method and search for stable single-particle configurations. We find one stable state with the torus configuration at the total angular momentum J=60 ħ and an excitation energy of about 170 MeV in all calculations using various Skyrme interactions. The total angular momentum J=60 ħ consists of aligned 12 nucleons with the orbital angular momenta Λ=+4, +5, and +6 for spin-up or -down neutrons and protons. The obtained results strongly suggest that a macroscopic amount of circulating current breaking the time-reversal symmetry emerges in the high-spin excited state of (40)Ca. PMID:23368188

  3. Microwave excitation of spin wave beams in thin ferromagnetic films.

    PubMed

    Gruszecki, P; Kasprzak, M; Serebryannikov, A E; Krawczyk, M; Śmigaj, W

    2016-01-01

    An inherent element of research and applications in photonics is a beam of light. In magnonics, which is the magnetic counterpart of photonics, where spin waves are used instead of electromagnetic waves to transmit and process information, the lack of a beam source limits exploration. Here, we present an approach enabling generation of narrow spin wave beams in thin homogeneous nanosized ferromagnetic films by microwave current. We show that the desired beam-type behavior can be achieved with the aid of a properly designed coplanar waveguide transducer generating a nonuniform microwave magnetic field. We test this idea using micromagnetic simulations, confirming numerically that the resulting spin wave beams propagate over distances of several micrometers. The proposed approach requires neither inhomogeneity of the ferromagnetic film nor nonuniformity of the biasing magnetic field. It can be generalized to different magnetization configurations and yield multiple spin wave beams of different width at the same frequency. PMID:26971711

  4. Microwave excitation of spin wave beams in thin ferromagnetic films

    NASA Astrophysics Data System (ADS)

    Gruszecki, P.; Kasprzak, M.; Serebryannikov, A. E.; Krawczyk, M.; Śmigaj, W.

    2016-03-01

    An inherent element of research and applications in photonics is a beam of light. In magnonics, which is the magnetic counterpart of photonics, where spin waves are used instead of electromagnetic waves to transmit and process information, the lack of a beam source limits exploration. Here, we present an approach enabling generation of narrow spin wave beams in thin homogeneous nanosized ferromagnetic films by microwave current. We show that the desired beam-type behavior can be achieved with the aid of a properly designed coplanar waveguide transducer generating a nonuniform microwave magnetic field. We test this idea using micromagnetic simulations, confirming numerically that the resulting spin wave beams propagate over distances of several micrometers. The proposed approach requires neither inhomogeneity of the ferromagnetic film nor nonuniformity of the biasing magnetic field. It can be generalized to different magnetization configurations and yield multiple spin wave beams of different width at the same frequency.

  5. Microwave excitation of spin wave beams in thin ferromagnetic films

    PubMed Central

    Gruszecki, P.; Kasprzak, M.; Serebryannikov, A. E.; Krawczyk, M.; Śmigaj, W.

    2016-01-01

    An inherent element of research and applications in photonics is a beam of light. In magnonics, which is the magnetic counterpart of photonics, where spin waves are used instead of electromagnetic waves to transmit and process information, the lack of a beam source limits exploration. Here, we present an approach enabling generation of narrow spin wave beams in thin homogeneous nanosized ferromagnetic films by microwave current. We show that the desired beam-type behavior can be achieved with the aid of a properly designed coplanar waveguide transducer generating a nonuniform microwave magnetic field. We test this idea using micromagnetic simulations, confirming numerically that the resulting spin wave beams propagate over distances of several micrometers. The proposed approach requires neither inhomogeneity of the ferromagnetic film nor nonuniformity of the biasing magnetic field. It can be generalized to different magnetization configurations and yield multiple spin wave beams of different width at the same frequency. PMID:26971711

  6. Collective nature of spin excitations in superconducting cuprates probed by resonant inelastic X-ray scattering.

    PubMed

    Minola, M; Dellea, G; Gretarsson, H; Peng, Y Y; Lu, Y; Porras, J; Loew, T; Yakhou, F; Brookes, N B; Huang, Y B; Pelliciari, J; Schmitt, T; Ghiringhelli, G; Keimer, B; Braicovich, L; Le Tacon, M

    2015-05-29

    We used resonant inelastic x-ray scattering (RIXS) with and without analysis of the scattered photon polarization, to study dispersive spin excitations in the high temperature superconductor YBa_{2}Cu_{3}O_{6+x} over a wide range of doping levels (0.1≤x≤1). The excitation profiles were carefully monitored as the incident photon energy was detuned from the resonant condition, and the spin excitation energy was found to be independent of detuning for all x. These findings demonstrate that the largest fraction of the spin-flip RIXS profiles in doped cuprates arises from magnetic collective modes, rather than from incoherent particle-hole excitations as recently suggested theoretically [Benjamin et al. Phys. Rev. Lett. 112, 247002 (2014)]. Implications for the theoretical description of the electron system in the cuprates are discussed. PMID:26066453

  7. Modification of Optical Properties of Seawater Exposed to Oil Contaminants Based on Excitation-Emission Spectra

    NASA Astrophysics Data System (ADS)

    Baszanowska, E.; Otremba, Z.

    2015-10-01

    The optical behaviour of seawater exposed to a residual amount of oil pollution is presented and a comparison of the fluorescence spectra of oil dissolved in both n-hexane and seawater is discussed based on excitation-emission spectra. Crude oil extracted from the southern part of the Baltic Sea was used to characterise petroleum properties after contact with seawater. The wavelength-independent fluorescence maximum for natural seawater and seawater artificially polluted with oil were determined. Moreover, the specific excitation-emission peaks for natural seawater and polluted water were analysed to identify the natural organic matter composition. It was found that fluorescence spectra identification is a promising method to detect even an extremely low concentration of petroleum residues directly in the seawater. In addition, alien substances disturbing the fluorescence signatures of natural organic substances in a marine environment is also discussed.

  8. Spin-wave excitation by direct current in obliquely magnetized nanostructures

    NASA Astrophysics Data System (ADS)

    Rodríguez-Suárez, R. L.; Azevedo, A.; de Aguiar, F. M.; Rezende, S. M.

    2009-09-01

    The magnetization dynamics of magnetic nanostructures magnetized at an arbitrary out-of-plane angle is investigated with the spin-wave formalism. The magnetic excitations driven by a spin-polarized direct current are considered to be standing spin-wave modes appropriate for nanopillar structures. The spin waves grow exponentially above a certain critical value of the current density and their post-threshold nonlinear dynamics leads to magnetization oscillations in the microwave range. Due to demagnetizing fields, the current-driven excitation strongly depends on the direction of the applied external magnetic field. In order to calculate the microwave oscillation frequency we derive an equation of motion for the spin-wave amplitude as a function of the out-of-plane angle of the applied field. The results are compared with recent experimental data as well as with another theoretical approach.

  9. Mechanism for nuclear and electron spin excitation by radio frequency current

    NASA Astrophysics Data System (ADS)

    Müllegger, Stefan; Rauls, Eva; Gerstmann, Uwe; Tebi, Stefano; Serrano, Giulia; Wiespointner-Baumgarthuber, Stefan; Schmidt, Wolf Gero; Koch, Reinhold

    2015-12-01

    Recent radio frequency scanning tunneling spectroscopy (rf-STS) experiments have demonstrated nuclear and electron spin excitations up to ±12 ℏ in a single molecular spin quantum dot (qudot). Despite the profound experimental evidence, the observed independence of the well-established dipole selection rules is not described by existing theory of magnetic resonance—pointing to a new excitation mechanism. Here we solve the puzzle of the underlying mechanism by discussing the relevant mechanistic steps. At the heart of the mechanism, periodic transient charging and electric polarization due to the rf-modulated tunneling process cause a periodic asymmetric deformation of the adsorbed qudot, enabling efficient spin transitions via spin-phonon-like coupling. The mechanism has general relevance for a broad variety of different spin qudots exhibiting internal mechanical degrees of freedom (organic molecules, doped semiconductor qudots, nanocrystals, etc.).

  10. Spin filtering neutrons with a proton target dynamically polarized using photo-excited triplet states

    NASA Astrophysics Data System (ADS)

    Haag, M.; van den Brandt, B.; Eichhorn, T. R.; Hautle, P.; Wenckebach, W. Th.

    2012-06-01

    In a test of principle a neutron spin filter has been built, which is based on dynamic nuclear polarization (DNP) using photo-excited triplet states. This DNP method has advantages over classical concepts as the requirements for cryogenic equipment and magnets are much relaxed: the spin filter is operated in a field of 0.3 T at a temperature of about 100 K and has performed reliably over periods of several weeks. The neutron beam was also used to analyze the polarization of the target employed as a spin filter. We obtained an independent measurement of the proton spin polarization of ˜0.13 in good agreement with the value determined with NMR. Moreover, the neutron beam was used to measure the proton spin polarization as a function of position in the naphthalene sample. The polarization was found to be homogeneous, even at low laser power, in contradiction to existing models describing the photo-excitation process.

  11. Excitations in a spin-polarized two-dimensional electron gas

    NASA Astrophysics Data System (ADS)

    Kreil, Dominik; Hobbiger, Raphael; Drachta, Jürgen T.; Böhm, Helga M.

    2015-11-01

    A remarkably long-lived spin plasmon may exist in two-dimensional electron liquids with imbalanced spin-up and spin-down population. The predictions for this interesting mode by Agarwal et al. [Phys. Rev. B 90, 155409 (2014), 10.1103/PhysRevB.90.155409] are based on the random phase approximation. Here, we show how to account for spin-dependent correlations from known ground-state pair correlation functions and study the consequences on the various spin-dependent longitudinal response functions. The spin-plasmon dispersion relation and its critical wave vector for Landau damping by minority spins turn out to be significantly lower. We further demonstrate that spin-dependent effective interactions imply a rich structure in the excitation spectrum of the partially spin-polarized system. Most notably, we find a "magnetic antiresonance," where the imaginary part of both, the spin-spin as well as the density-spin response function vanish. The resulting minimum in the double-differential cross section is awaiting experimental confirmation.

  12. Current-induced magnetization excitation in a pseudo-spin-valve with in-plane anisotropy

    NASA Astrophysics Data System (ADS)

    Guo, Jie; Jalil, Mansoor Bin Abdul; Tan, Seng Ghee

    2008-05-01

    We study the magnetization dynamics of a pseudo-spin-valve structure with in-plane anisotropy, which is induced by the passage of a perpendicular-to-plane spin-polarized current. The magnetization dynamics is described by a modified Landau-Lifshitz-Gilbert (LLG) equation, which incorporates two spin torque terms. The simulation results reveal two magnetization excitation modes: (a) complete magnetization reversal and (b) persistent spin precession. The existence of these dual modes may be explained in terms of the competition between the four terms of the modified LLG equation. Our results give indications to the optimal operating conditions for current-induced magnetization dynamics for possible device applications.

  13. Spin excitations in ferromagnetic Ni: Electrons and neutrons as a probe

    SciTech Connect

    Hong, Jisang; Mills, D. L.

    2000-01-01

    We present theoretical calculations of the contribution to the spin polarized electron energy loss spectrum of ferromagnetic Ni. We find, save for the wave-vector transfer near the center of the Brillouin zone, the spin-wave loss feature is obscured by low-lying Stoner excitations, in contrast to Fe. Our calculations, and earlier work, show that in inelastic neutron-scattering studies of spin waves in Ni, the spin-wave loss peak dominates. The physical reason for this difference is discussed. (c) 2000 The American Physical Society.

  14. Spin-vibronic quantum dynamics for ultrafast excited-state processes.

    PubMed

    Eng, Julien; Gourlaouen, Christophe; Gindensperger, Etienne; Daniel, Chantal

    2015-03-17

    Ultrafast intersystem crossing (ISC) processes coupled to nuclear relaxation and solvation dynamics play a central role in the photophysics and photochemistry of a wide range of transition metal complexes. These phenomena occurring within a few hundred femtoseconds are investigated experimentally by ultrafast picosecond and femtosecond transient absorption or luminescence spectroscopies, and optical laser pump-X-ray probe techniques using picosecond and femtosecond X-ray pulses. The interpretation of ultrafast structural changes, time-resolved spectra, quantum yields, and time scales of elementary processes or transient lifetimes needs robust theoretical tools combining state-of-the-art quantum chemistry and developments in quantum dynamics for solving the electronic and nuclear problems. Multimode molecular dynamics beyond the Born-Oppenheimer approximation has been successfully applied to many small polyatomic systems. Its application to large molecules containing a transition metal atom is still a challenge because of the nuclear dimensionality of the problem, the high density of electronic excited states, and the spin-orbit coupling effects. Rhenium(I) α-diimine carbonyl complexes, [Re(L)(CO)3(N,N)](n+) are thermally and photochemically robust and highly flexible synthetically. Structural variations of the N,N and L ligands affect the spectroscopy, the photophysics, and the photochemistry of these chromophores easily incorporated into a complex environment. Visible light absorption opens the route to a wide range of applications such as sensors, probes, or emissive labels for imaging biomolecules. Halide complexes [Re(X)(CO)3(bpy)] (X = Cl, Br, or I; bpy = 2,2'-bipyridine) exhibit complex electronic structure and large spin-orbit effects that do not correlate with the heavy atom effects. Indeed, the (1)MLCT → (3)MLCT intersystem crossing (ISC) kinetics is slower than in [Ru(bpy)3](2+) or [Fe(bpy)3](2+) despite the presence of a third-row transition metal

  15. Correlations between metal spin states and vibrational spectra of a trinuclear Fe(II) complex exhibiting spin crossover

    NASA Astrophysics Data System (ADS)

    Gerasimova, Tatiana P.; Katsyuba, Sergey A.; Lavrenova, Ludmila G.; Pelmenschikov, Vladimir; Kaupp, Martin

    2015-12-01

    Combined IR spectroscopic/quantum-chemical analysis of a 4-propyl-1,2,4-triazole trinuclear Fe(II) complex capable of reversible thermal spin crossover has revealed mid-IR bands of the ligand sensitive to the Fe(II) spin state. The character of the correlations found between the intensity and peak position of the triazole bands and the spin state of the metal center depends neither on the identity of the metal nor on the nuclearity of the complex. The found spectral correlations therefore allow analysis of various similar complexes. This is illustrated by the example of experimental IR spectra reported earlier for Fe(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes with triazole ligands. Quantum-chemical IR spectral simulations further suggest that certain ligand bands vary between the states with the same total molecular spin, but different distribution of the spin density between the metal centers. However these variations are too subtle to discriminate between the spin transitions of the central and peripheral Fe(II) ions. The experimentally revealed mid-IR markers are therefore conclusive only for the total molecular spin.

  16. Lifetime-vibrational interference effects in resonantly excited x-ray emission spectra of CO

    SciTech Connect

    Skytt, P.; Glans, P.; Gunnelin, K.

    1997-04-01

    The parity selection rule for resonant X-ray emission as demonstrated for O{sub 2} and N{sub 2} can be seen as an effect of interference between coherently excited degenerate localized core states. One system where the core state degeneracy is not exact but somewhat lifted was previously studied at ALS, namely the resonant X-ray emission of amino-substituted benzene (aniline). It was shown that the X-ray fluorescence spectrum resulting from excitation of the C1s at the site of the {open_quotes}aminocarbon{close_quotes} could be described in a picture separating the excitation and the emission processes, whereas the spectrum corresponding to the quasi-degenerate carbons could not. Thus, in this case it was necessary to take interference effects between the quasi-degenerate intermediate core excited states into account in order to obtain agreement between calculations and experiment. The different vibrational levels of core excited states in molecules have energy splittings which are of the same order of magnitude as the natural lifetime broadening of core excitations in the soft X-ray range. Therefore, lifetime-vibrational interference effects are likely to appear and influence the band shapes in resonant X-ray emission spectra. Lifetime-vibrational interference has been studied in non-resonant X-ray emission, and in Auger spectra. In this report the authors discuss results of selectively excited soft X-ray fluorescence spectra of molecules, where they focus on lifetime-interference effects appearing in the band shapes.

  17. Tunable short-wavelength spin wave excitation from pinned magnetic domain walls

    PubMed Central

    Van de Wiele, Ben; Hämäläinen, Sampo J.; Baláž, Pavel; Montoncello, Federico; van Dijken, Sebastiaan

    2016-01-01

    Miniaturization of magnonic devices for wave-like computing requires emission of short-wavelength spin waves, a key feature that cannot be achieved with microwave antennas. In this paper, we propose a tunable source of short-wavelength spin waves based on highly localized and strongly pinned magnetic domain walls in ferroelectric-ferromagnetic bilayers. When driven into oscillation by a microwave spin-polarized current, the magnetic domain walls emit spin waves with the same frequency as the excitation current. The amplitude of the emitted spin waves and the range of attainable excitation frequencies depend on the availability of domain wall resonance modes. In this respect, pinned domain walls in magnetic nanowires are particularly attractive. In this geometry, spin wave confinement perpendicular to the nanowire axis produces a multitude of domain wall resonances enabling efficient spin wave emission at frequencies up to 100 GHz and wavelengths down to 20 nm. At high frequency, the emission of spin waves in magnetic nanowires becomes monochromatic. Moreover, pinning of magnetic domain wall oscillators onto the same ferroelectric domain boundary in parallel nanowires guarantees good coherency between spin wave sources, which opens perspectives towards the realization of Mach-Zehnder type logic devices and sensors. PMID:26883893

  18. Tunable short-wavelength spin wave excitation from pinned magnetic domain walls.

    PubMed

    Van de Wiele, Ben; Hämäläinen, Sampo J; Baláž, Pavel; Montoncello, Federico; van Dijken, Sebastiaan

    2016-01-01

    Miniaturization of magnonic devices for wave-like computing requires emission of short-wavelength spin waves, a key feature that cannot be achieved with microwave antennas. In this paper, we propose a tunable source of short-wavelength spin waves based on highly localized and strongly pinned magnetic domain walls in ferroelectric-ferromagnetic bilayers. When driven into oscillation by a microwave spin-polarized current, the magnetic domain walls emit spin waves with the same frequency as the excitation current. The amplitude of the emitted spin waves and the range of attainable excitation frequencies depend on the availability of domain wall resonance modes. In this respect, pinned domain walls in magnetic nanowires are particularly attractive. In this geometry, spin wave confinement perpendicular to the nanowire axis produces a multitude of domain wall resonances enabling efficient spin wave emission at frequencies up to 100 GHz and wavelengths down to 20 nm. At high frequency, the emission of spin waves in magnetic nanowires becomes monochromatic. Moreover, pinning of magnetic domain wall oscillators onto the same ferroelectric domain boundary in parallel nanowires guarantees good coherency between spin wave sources, which opens perspectives towards the realization of Mach-Zehnder type logic devices and sensors. PMID:26883893

  19. Tunable short-wavelength spin wave excitation from pinned magnetic domain walls

    NASA Astrophysics Data System (ADS)

    van de Wiele, Ben; Hämäläinen, Sampo J.; Baláž, Pavel; Montoncello, Federico; van Dijken, Sebastiaan

    2016-02-01

    Miniaturization of magnonic devices for wave-like computing requires emission of short-wavelength spin waves, a key feature that cannot be achieved with microwave antennas. In this paper, we propose a tunable source of short-wavelength spin waves based on highly localized and strongly pinned magnetic domain walls in ferroelectric-ferromagnetic bilayers. When driven into oscillation by a microwave spin-polarized current, the magnetic domain walls emit spin waves with the same frequency as the excitation current. The amplitude of the emitted spin waves and the range of attainable excitation frequencies depend on the availability of domain wall resonance modes. In this respect, pinned domain walls in magnetic nanowires are particularly attractive. In this geometry, spin wave confinement perpendicular to the nanowire axis produces a multitude of domain wall resonances enabling efficient spin wave emission at frequencies up to 100 GHz and wavelengths down to 20 nm. At high frequency, the emission of spin waves in magnetic nanowires becomes monochromatic. Moreover, pinning of magnetic domain wall oscillators onto the same ferroelectric domain boundary in parallel nanowires guarantees good coherency between spin wave sources, which opens perspectives towards the realization of Mach-Zehnder type logic devices and sensors.

  20. Investigation of autoionization spectra of Sm atoms using an isolated-core excitation method

    NASA Astrophysics Data System (ADS)

    Qin, Wen-Jie; Dai, Chang-Jian; Xiao, Ying; Zhao, Hong-Ying

    2009-05-01

    Using the isolated-core-excitation scheme and three-step laser resonance ionization spectroscopy approach, this paper, for the first time, has systematically investigated the autoionization spectra of atomic Sm, belonging to the 4f66pnl and 4f55d6snl (l = 0,2) configurations. In the experiment, the first two tunable dye lasers are employed to excite the Sm atom from its initial state to the different 4f66snl bound Rydberg states, then the third dye laser is scanned to drive the atom to the doubly-excited autoionizing states. With the above excitation scheme, the measured transition profiles of the autoionizing states are nearly symmetric, from which the level energies and widths can be easily obtained.

  1. Absorption and luminescence excitation spectra of ClF in the Vac UV region

    NASA Astrophysics Data System (ADS)

    Alekseev, Vadim A.; Schwentner, Nikolaus

    2010-07-01

    Absorption and luminescence excitation spectra of ClF are recorded in the vacuum ultraviolet employing synchrotron radiation. A broad band (120-130 nm) due to transition to the ion-pair state E(0 +) and sparse transitions to Rydberg states are observed. All Rydberg states are predissociated and their excitation yields no luminescence. Perturbations by the 4 sσ1Π 1 and 4p π1Σ + Rydberg states result in characteristic dips in the E(0 +) state luminescence excitation spectrum. Excitation above the Cl∗ + F dissociation threshold results in luminescence from ion-pair states of ClF or Cl 2 populated in reaction of Cl∗ with ClF or Cl 2.

  2. Isotropic Spin Trap EPR Spectra Simulation by Fast Fourier Transform (FFT)

    NASA Astrophysics Data System (ADS)

    Laachir, S.; Moussetad, M.; Adhiri, R.; Fahli, A.

    2005-03-01

    The detection and investigation of free radicals forming in living systems became possible due to the introduction of the method of spin traps. In this work, the electron spin resonance (ESR) spectra of DMPO/HO(.) and MGD-Fe-NO adducts are reproduced by simulation, based on the Fast Fourier Transform (FFT). The calculated spectral parameters as the hyperfine coupling constants, agree reasonably with the experimental data and the results are discussed.

  3. Distribution of tempo-dichlorotriazine spin label on immunoglobulin molecule. Interpretation of ESR spectra

    SciTech Connect

    Nezlin, R.

    1986-03-05

    Spin label TEMPO-dichlorotriazine (DT) has been used previously for determination of the rotational relaxation times of immunoglobulin (Ig) molecules and evaluation of their flexibility. Well defined outer wide extrema as well as sharp inner extrema are characteristic for ESR spectra of spin labeled Ig molecules. Such patterns of the spectrum can be accounted for either by the existence of the spin label in two states, one corresponding to its rapid and another to its restricted rotation or by varying environments of the spin label located in different areas of the Ig molecule. To choose between these possibilities, the distribution of /sup 14/C-TEMPO-DT on human IgG1(k) was studied. The same amount of the label per mg of protein was found in H and L chains as well as in the Fab fragment, and a smaller amount in the pFc'. The label was detected in most of the L chain tryptic peptides. Thus, the spin label is distributed nearly uniformly on IgG molecule, which is due to the regular distribution of amino acid residues reacted with the spin label. ESR spectra can be interpreted as a sum of individual spectra.

  4. Current-Induced Dynamics in Antiferromagnetic Metal: Domain Wall Dynamics and Spin Wave Excitation

    NASA Astrophysics Data System (ADS)

    Cheng, Ran; Niu, Qian

    2013-03-01

    When a spin-polarized current flows through a ferromagnetic (FM) metal, angular momentum is transferred to the magnetization via spin transfer torque. However, corresponding theory is absent in antiferromagnetic (AFM) metals due to the absence of spin conservation. We solve this problem via effective gauge theory without the necessity of spin conservation. By identifying the adiabatic dynamics of conduction electrons as a non-Abelian gauge theory on degenerate band, we derive the AFM version of Landau-Lifshitz-Gilbert equation with current-induced dynamics from a microscopic point of view. Quite different from its FM counterpart, current-induced dynamics in AFM materials does not behave as a torque, but a driving force triggering second order derivative of local staggered order with respect to time. Its physical consequences are studied in two examples: 1. A domain wall is accelerated to a terminal velocity without a Walker's threshold; 2. A sufficiently large spin current will generate spin wave excitation.

  5. Mass-number and excitation-energy dependence of the spin cutoff parameter

    NASA Astrophysics Data System (ADS)

    Grimes, S. M.; Voinov, A. V.; Massey, T. N.

    2016-07-01

    The spin cutoff parameter determining the nuclear level density spin distribution ρ (J ) is defined through the spin projection as 1 /2 or equivalently for spherical nuclei, ( 3 ) 1 /2. It is needed to divide the total level density into levels as a function of J . To obtain the total level density at the neutron binding energy from the s -wave resonance count, the spin cutoff parameter is also needed. The spin cutoff parameter has been calculated as a function of excitation energy and mass with a super-conducting Hamiltonian. Calculations have been compared with two commonly used semiempirical formulas. A need for further measurements is also observed. Some complications for deformed nuclei are discussed. The quality of spin cut off parameter data derived from isomeric ratio measurement is examined.

  6. Cotunneling spectroscopy and the properties of excited-state spin manifolds of Mn12 single molecule magnets

    NASA Astrophysics Data System (ADS)

    Rostamzadeh Renani, Fatemeh; Kirczenow, George

    2014-10-01

    We study charge transport through single molecule magnet (SMM) junctions in the cotunneling regime as a tool for investigating the properties of the excited-state manifolds of neutral Mn12 SMs. This study is motivated by a recent transport experiment [S. Kahle et al., Nano Lett. 12, 518 (2012), 10.1021/nl204141z] that probed the details of the magnetic and electronic structure of Mn12 SMMs beyond the ground-state spin manifold. A giant spin Hamiltonian and master equation approach is used to explore theoretically the cotunneling transport through Mn12-Ac SMM junctions. We identify SMM transitions that can account for both the strong and weak features of the experimental differential conductance spectra. We find the experimental results to imply that the excited spin-state manifolds of the neutral SMM have either different anisotropy constants or different g factors in comparison with its ground-state manifold. However, the latter scenario accounts best for the experimental data.

  7. Excitation-emission spectra and fluorescence quantum yields for fresh and aged biogenic secondary organic aerosols

    SciTech Connect

    Lee, Hyun Ji; Laskin, Alexander; Laskin, Julia; Nizkorodov, Sergey A.

    2013-05-10

    Certain biogenic secondary organic aerosols (SOA) become absorbent and fluorescent when exposed to reduced nitrogen compounds such as ammonia, amines and their salts. Fluorescent SOA may potentially be mistaken for biological particles by detection methods relying on fluorescence. This work quantifies the spectral distribution and effective quantum yields of fluorescence of SOA generated from two monoterpenes, limonene and a-pinene, and two different oxidants, ozone (O3) and hydroxyl radical (OH). The SOA was generated in a smog chamber, collected on substrates, and aged by exposure to ~100 ppb ammonia vapor in air saturated with water vapor. Absorption and excitation-emission matrix (EEM) spectra of aqueous extracts of aged and control SOA samples were measured, and the effective absorption coefficients and fluorescence quantum yields (~0.005 for 349 nm excitation) were determined from the data. The strongest fluorescence for the limonene-derived SOA was observed for excitation = 420+- 50 nm and emission = 475 +- 38 nm. The window of the strongest fluorescence shifted to excitation = 320 +- 25 nm and emission = 425 +- 38 nm for the a-pinene-derived SOA. Both regions overlap with the excitation-emission matrix (EEM) spectra of some of the fluorophores found in primary biological aerosols. Our study suggests that, despite the low quantum yield, the aged SOA particles should have sufficient fluorescence intensities to interfere with the fluorescence detection of common bioaerosols.

  8. The 5p autoionization spectra of Ba atoms excited by electron impact: identification of lines

    NASA Astrophysics Data System (ADS)

    Hrytsko, V.; Kerevičius, G.; Kupliauskienė, A.; Borovik, A.

    2016-07-01

    The ejected-electron spectra corresponding to the radiationless decay of 5p5 {n}1{l}1{n}2{l}2{n}3{l}3 states in Ba atoms have been measured precisely for different incident electron energies ranging from the appearance of the first autoionizing line at 15.68 eV up to 140 eV. The spectra have been obtained at an observation angle of 54.7° and with incident-electron and ejected-electron energy resolutions of 0.2 eV and 0.07 eV, respectively. In total, 63 lines with excitation thresholds below 22 eV have been observed between 9.8 and 16.6 eV ejected-electron kinetic energy. Based on measured excitation energies, intensity behavior of lines, calculated excitation energies, cross sections and decay rates of states in 5p56s{}2{nl}, 5p55d{}2{nl} and 5p55d6snl configurations, assignments for all 63 lines are proposed. The excitation and decay processes for classified autoionizing states have been examined and compared with existing data. The excitation threshold of the 5{{{p}}}6 subshell has been established at 15.61 ± 0.05 eV.

  9. Spin Excitations and Phonon Anomaly in Quasi-1D Spiral Magneti CuBr2

    NASA Astrophysics Data System (ADS)

    Li, Yuan; Wang, Chong; Yu, Daiwei; Wang, Lichen; Wang, Fa; Iida, Kazuki; Kamazawa, Kazuya; Wakimoto, Shuichi

    CuBr2 can be considered as a model quasi-one-dimensional (quasi-1D) spin-1/2 magnet, in which the frustrating ferromagnetic nearest-neighbor and antiferromagnetic next-nearest-neighbor exchange interactions give rise to a cycloidal magnetic order below TN = 73 K. The removal of inversion symmetry by the magnetic order also makes the material a type-II multiferroic system with a remarkably simple crystal structure. Using time-of-flight inelastic neutron scattering spectroscopy, we have determined the spin-wave as well as phonon spectra throughout the entire Brillouin zone. The spin-wave spectrum exhibits pronounced anisotropy and magnon damping, consistent with the material's quasi-1D nature and the non-colinear spin structure. The phonon spectrum exhibits dramatic discontinuities in the dispersion across the quasi-1D magnetic wave vector, indicative of strong magnetoelastic coupling and possibly of a spin-orbital texture that comes along with the spin correlations.

  10. Time-resolved and energy-dispersed spin excitation in ferromagnets and clusters under influence of femtosecond laser pulses

    NASA Astrophysics Data System (ADS)

    Hartenstein, T.; Lefkidis, G.; Hübner, W.; Zhang, G. P.; Bai, Y.

    2009-04-01

    When an ultrafast laser impinges a magnetic material, it excites charge and then, via spin-orbit-coupling, spin. This holds great promise for the future magnetic storage. However, the coupling of the two dynamics is far from clear, which hampers the experimental effort in femtosecond magnetism. Since not every excitation induces the same spin excitation, a clear understanding of the correlation between charge and spin is crucial. In this paper we investigate in a complete first-principles manner the energy dispersion of the spin-moment change in ferromagnetic Ni and the effect of the distance between the magnetic centers upon the spin localization and local-spin-flip times in metallic chains. Thus we establish the missing link between the spin-momentum change and the density-of-states change, and derive rules-of-thumb for localized spin manipulation.

  11. Observing spin excitations in 3 d transition-metal adatoms on Pt(111) with inelastic scanning tunneling spectroscopy: A first-principles perspective

    NASA Astrophysics Data System (ADS)

    Schweflinghaus, Benedikt; dos Santos Dias, Manuel; Lounis, Samir

    2016-01-01

    Spin excitations in atomic-scale nanostructures have been investigated with inelastic scanning tunneling spectroscopy, sometimes with conflicting results. In this work, we present a theoretical viewpoint on a recent experimental controversy regarding the spin excitations of Co adatoms on Pt(111). While one group [Balashov et al., Phys. Rev. Lett. 102, 257203 (2009), 10.1103/PhysRevLett.102.257203] claims to have detected them, another group reported their observation only after the hydrogenation of the Co adatom [Dubout et al., Phys. Rev. Lett. 114, 106807 (2015), 10.1103/PhysRevLett.114.106807]. Utilizing time-dependent density functional theory in combination with many-body perturbation theory, we demonstrate that, although inelastic spin excitations are possible for Cr, Mn, Fe, and Co adatoms, their efficiency differs. While the excitation signature is less pronounced for Mn and Co adatoms, it is larger for Cr and Fe adatoms. We find that the tunneling matrix elements or the tunneling cross-section related to the nature and symmetry of the relevant electronic states are more favorable for triggering the spin excitations in Fe than in Co. An enhancement of the tunneling and of the inelastic spectra is possible by attaching hydrogen to the adatom at the appropriate position.

  12. Direct observation of dynamic modes excited in a magnetic insulator by pure spin current.

    PubMed

    Demidov, V E; Evelt, M; Bessonov, V; Demokritov, S O; Prieto, J L; Muñoz, M; Ben Youssef, J; Naletov, V V; de Loubens, G; Klein, O; Collet, M; Bortolotti, P; Cros, V; Anane, A

    2016-01-01

    Excitation of magnetization dynamics by pure spin currents has been recently recognized as an enabling mechanism for spintronics and magnonics, which allows implementation of spin-torque devices based on low-damping insulating magnetic materials. Here we report the first spatially-resolved study of the dynamic modes excited by pure spin current in nanometer-thick microscopic insulating Yttrium Iron Garnet disks. We show that these modes exhibit nonlinear self-broadening preventing the formation of the self-localized magnetic bullet, which plays a crucial role in the stabilization of the single-mode magnetization oscillations in all-metallic systems. This peculiarity associated with the efficient nonlinear mode coupling in low-damping materials can be among the main factors governing the interaction of pure spin currents with the dynamic magnetization in high-quality magnetic insulators. PMID:27608533

  13. Direct observation of dynamic modes excited in a magnetic insulator by pure spin current

    PubMed Central

    Demidov, V. E.; Evelt, M.; Bessonov, V.; Demokritov, S. O.; Prieto, J. L.; Muñoz, M.; Ben Youssef, J.; Naletov, V. V.; de Loubens, G.; Klein, O.; Collet, M.; Bortolotti, P.; Cros, V.; Anane, A.

    2016-01-01

    Excitation of magnetization dynamics by pure spin currents has been recently recognized as an enabling mechanism for spintronics and magnonics, which allows implementation of spin-torque devices based on low-damping insulating magnetic materials. Here we report the first spatially-resolved study of the dynamic modes excited by pure spin current in nanometer-thick microscopic insulating Yttrium Iron Garnet disks. We show that these modes exhibit nonlinear self-broadening preventing the formation of the self-localized magnetic bullet, which plays a crucial role in the stabilization of the single-mode magnetization oscillations in all-metallic systems. This peculiarity associated with the efficient nonlinear mode coupling in low-damping materials can be among the main factors governing the interaction of pure spin currents with the dynamic magnetization in high-quality magnetic insulators. PMID:27608533

  14. Spin wave excitation in yttrium iron garnet films with micron-sized antennas

    SciTech Connect

    Khivintsev, Y. V. Filimonov, Y. A.; Nikitov, S. A.

    2015-02-02

    In this paper, we explore spin waves excitation in monolithic structures based on yttrium iron garnet (YIG) films with micro-sized antennas. Samples based on plain and patterned YIG film were fabricated and tested for tangential bias field geometries. We observed spin wave excitation and propagation with wave numbers up to 3.5 × 10{sup 4} rad/cm. The corresponding wavelength is thus shorter more than by one order of magnitude compared to previous experiments with such films. For the sample with a periodic array of nanotrenches, we observed the effect of the shape anisotropy resulting in the shift of the spin wave propagation band in comparison to the unpatterned YIG film. Our results are very promising for the exploitation of short spin waves in YIG and provide great opportunity for significant miniaturization of YIG film based microwave devices.

  15. Ground Band and Excited Band of Spin-1 BEC in Cigar Shaped Laser Trap

    NASA Astrophysics Data System (ADS)

    Pang, Wei; Li, Zhi-Bing; Bao, Cheng-Guang

    2007-10-01

    The wavefunctions that conserve the total spin are constructed for the fully condensed states and the states with one particle excited. A set of equations are deduced for the spatial longitudinal wavefunctions and the chemical potentials. These equations are solved numerically for 23Na and 87Rb condensates. The deformed trap shows significant effects on the spectrum. This implies that the spin effect of the spinor BEC are more easily detected in an optical trap of larger aspect ratio.

  16. Singlet-to-Triplet Excitations in the Unconventional Spin-Peierls System TiOBr

    SciTech Connect

    Clancy, James P; Gaulin, Bruce D.; Adams, Carl P; Granroth, Garrett E; Kolesnikov, Alexander I; Sherline, Todd E; Chou, F. C.

    2011-01-01

    We have performed time-of-flight neutron scattering measurements on powder samples of the unconventional spin-Peierls compound TiOBr using the fine-resolution Fermi chopper spectrometer (SEQUOIA) at the SNS. These measurements reveal two branches of magnetic excitations within the commensurate and incommensurate spin-Peierls phases, which we associate with n = 1 and n = 2 triplet excitations out of the singlet ground state. These measurements represent the first direct measure of the singlet-triplet energy gap in TiOBr, which is found to have a value of Eg 21 meV.

  17. Singlet-Triplet Excitations in the Unconventional Spin-Peierls TiOBr Compound

    NASA Astrophysics Data System (ADS)

    Clancy, J. P.; Gaulin, B. D.; Adams, C. P.; Granroth, G. E.; Kolesnikov, A. I.; Sherline, T. E.; Chou, F. C.

    2011-03-01

    We have performed time-of-flight neutron scattering measurements on powder samples of the unconventional spin-Peierls compound TiOBr using the fine-resolution Fermi chopper spectrometer (SEQUOIA) at the Spallation Neutron Source at Oak Ridge National Laboratory. These measurements reveal two branches of magnetic excitations within the commensurate and incommensurate spin-Peierls phases, which we associate with n=1 and n=2 triplet excitations out of the singlet ground state. These results represent the first direct measurement of the singlet-triplet energy gap in TiOBr, which has a value of Eg=21.2±1.0meV.

  18. Controlling the Excited-State Dynamics of Nuclear Spin Isomers Using the Dynamic Stark Effect.

    PubMed

    Waldl, Maria; Oppel, Markus; González, Leticia

    2016-07-14

    Stark control of chemical reactions uses intense laser pulses to distort the potential energy surfaces of a molecule, thus opening new chemical pathways. We use the concept of Stark shifts to convert a local minimum into a local maximum of the potential energy surface, triggering constructive and destructive wave-packet interferences, which then induce different dynamics on nuclear spin isomers in the electronically excited state of a quinodimethane derivative. Model quantum-dynamical simulations on reduced dimensionality using optimized ultrashort laser pulses demonstrate a difference of the excited-state dynamics of two sets of nuclear spin isomers, which ultimately can be used to discriminate between these isomers. PMID:26840424

  19. Theory of optical excitation spectra and depolarization dynamics in bilayer WS2 from the viewpoint of excimers

    NASA Astrophysics Data System (ADS)

    Yu, T.; Wu, M. W.

    2014-07-01

    We investigate the optical excitation spectra and the photoluminescence depolarization dynamics in bilayer WS2. A different understanding of the optical excitation spectra in the recent photoluminescence experiment by Zhu et al. (arXiv:1403.6224) in bilayer WS2 is proposed. In the experiment, four excitations (1.68, 1.93, 1.99, and 2.37 eV) are observed and identified to be the indirect exciton for the Γ valley, trion, A exciton, and B exciton excitations, respectively, with the redshift for the A exciton energy measured to be 30˜50 meV when the sample synthesized from monolayer to bilayer. According to our study, by considering that there exist both the intralayer and charge-transfer excitons in the bilayer WS2, with interlayer hopping of the hole, there exists an excimer state composed by the superposition of the intralayer and charge-transfer exciton states. Accordingly, we show that the four optical excitations in the bilayer WS2 are the A charge-transfer exciton, A' excimer, B' excimer, and B intralayer exciton states, respectively, with the calculated resonance energies showing good agreement with the experiment. In our picture, the speculated indirect exciton, which involves a high-order phonon absorption/emission process, is not necessary. Furthermore, the binding energy for the excimer state is calculated to be 40 meV, providing reasonable explanation for the experimentally observed energy redshift of the A exciton. Based on the excimer states, we further derive the exchange interaction Hamiltonian. Then the photoluminescence depolarization dynamics due to the electron-hole exchange interaction is studied in the pump-probe setup by the kinetic spin Bloch equations. We find that there is always a residual photoluminescence polarization that is exactly half of the initial one, lasting for an infinitely long time, which is robust against the initial energy broadening and strength of the momentum scattering. This large steady-state photoluminescence

  20. Lifetime measurement of excited low-spin states via the (p, p‧ γ) reaction

    NASA Astrophysics Data System (ADS)

    Hennig, A.; Derya, V.; Mineva, M. N.; Petkov, P.; Pickstone, S. G.; Spieker, M.; Zilges, A.

    2015-09-01

    In this paper a method for lifetime measurements in the sub-picosecond regime via the Doppler-shift attenuation method (DSAM) following the inelastic proton scattering reaction is presented. In a pioneering experiment we extracted the lifetimes of 30 excited low-spin states of 96Ru, taking advantage of the coincident detection of scattered protons and de-exciting γ-rays as well as the large number of particle and γ-ray detectors provided by the SONIC@HORUS setup at the University of Cologne. The large amount of new experimental data shows that this technique is suited for the measurement of lifetimes of excited low-spin states, especially for isotopes with a low isotopic abundance, where (n ,n‧ γ) or - in case of investigating dipole excitations - (γ ,γ‧) experiments are not feasible due to the lack of sufficient isotopically enriched target material.

  1. High-spin isomers in 212Rn in the region of triple neutron core-excitations

    NASA Astrophysics Data System (ADS)

    Dracoulis, G. D.; Lane, G. J.; Byrne, A. P.; Davidson, P. M.; Kibédi, T.; Nieminen, P.; Watanabe, H.; Wilson, A. N.

    2008-04-01

    The level scheme of 212Rn has been extended to spins of ∼ 38 ℏ and excitation energies of about 13 MeV using the 204Hg(13C, 5n)212Rn reaction and γ-ray spectroscopy. Time correlated techniques have been used to obtain sensitivity to weak transitions and channel selectivity. The excitation energy of the 22+ core-excited isomer has been established at 6174 keV. Two isomers with τ = 25 (2) ns and τ = 12 (2) ns are identified at 12211 and 12548 keV, respectively. These are the highest-spin nuclear isomers now known, and are attributed to configurations involving triple neutron core-excitations coupled to the aligned valence protons. Semi-empirical shell-model calculations can account for most states observed, but with significant energy discrepancies for some configurations.

  2. Parametric Excitation of Spin Waves by Voltage-Controlled Magnetic Anisotropy

    NASA Astrophysics Data System (ADS)

    Verba, Roman; Tiberkevich, Vasil; Krivorotov, Ilya; Slavin, Andrei

    2014-05-01

    A theory of parametric excitation of spin waves (SWs) in ultrathin ferromagnetic strips by a microwave electric field is developed. The excitation uses the effect of voltage-controlled magnetic anisotropy in ferromagnet-dielectric heterostuctures. The characteristic values of the electric field necessary for parametric excitation of propagating SWs of 5-10 GHz frequency in Fe /MgO structure are found to be 0.1-1.5 V/nm. The minimum excitation threshold is achieved in narrow strip (strip width wx˜10-20 nm) for relatively long dipole-dominated SWs. In wider strips (wx≳100 nm) electric parametric pumping excites mostly short exchange-dominated SWs having higher excitation thresholds, but substantially wider range of possible SW frequencies.

  3. Resonance Raman spectra of organic molecules absorbed on inorganic semiconducting surfaces: Contribution from both localized intramolecular excitation and intermolecular charge transfer excitation

    SciTech Connect

    Ye, ChuanXiang; Zhao, Yi E-mail: liangwz@xmu.edu.cn; Liang, WanZhen E-mail: liangwz@xmu.edu.cn

    2015-10-21

    The time-dependent correlation function approach for the calculations of absorption and resonance Raman spectra (RRS) of organic molecules absorbed on semiconductor surfaces [Y. Zhao and W. Z. Liang, J. Chem. Phys. 135, 044108 (2011)] is extended to include the contribution of the intermolecular charge transfer (CT) excitation from the absorbers to the semiconducting nanoparticles. The results demonstrate that the bidirectionally interfacial CT significantly modifies the spectral line shapes. Although the intermolecular CT excitation makes the absorption spectra red shift slightly, it essentially changes the relative intensities of mode-specific RRS and causes the oscillation behavior of surface enhanced Raman spectra with respect to interfacial electronic couplings. Furthermore, the constructive and destructive interferences of RRS from the localized molecular excitation and CT excitation are observed with respect to the electronic coupling and the bottom position of conductor band. The interferences are determined by both excitation pathways and bidirectionally interfacial CT.

  4. Perturbation method to calculate the interaction potentials and electronic excitation spectra of atoms in He nanodroplets.

    PubMed

    Callegari, Carlo; Ancilotto, Francesco

    2011-06-30

    A method is proposed for the calculation of potential energy curves and related electronic excitation spectra of dopant atoms captured in/on He nanodroplets and is applied to alkali metal atoms. The method requires knowledge of the droplet density distribution at equilibrium (here calculated within a bosonic-He density functional approach) and of a set of valence electron orbitals of the bare dopant atom (here calculated by numeric solution of the Schrödinger equation in a suitably parametrized model potential). The electron-helium interaction is added as a perturbation, and potential energy curves are obtained by numeric diagonalization of the resulting Hamiltonian as a function of an effective coordinate z(A) (here the distance between the dopant atom and center of mass of the droplet, resulting in a pseudodiatomic potential). Excitation spectra are calculated for Na in the companion paper as the Franck-Condon factors between the v = 0 vibrational state in the ground electronic state and excited states of the pseudodiatomic molecule. They agree well with available experimental data, even for highly excited states where a more traditional approach fails. PMID:21434657

  5. Discrimination of nuclear spin isomers exploiting the excited state dynamics of a quinodimethane derivative

    SciTech Connect

    Obaid, Rana; Kinzel, Daniel; Oppel, Markus González, Leticia

    2014-10-28

    Despite the concept of nuclear spin isomers (NSIs) exists since the early days of quantum mechanics, only few approaches have been suggested to separate different NSIs. Here, a method is proposed to discriminate different NSIs of a quinodimethane derivative using its electronic excited state dynamics. After electronic excitation by a laser field with femtosecond time duration, a difference in the behavior of several quantum mechanical operators can be observed. A pump-probe experimental approach for separating these different NSIs is then proposed.

  6. An experimental NEXAFS and computational TDDFT and ΔDFT study of the gas-phase core excitation spectra of nitroxide free radical TEMPO and its analogues.

    PubMed

    Ljubić, Ivan; Kivimäki, Antti; Coreno, Marcello

    2016-04-21

    Core-hole spectroscopy adds to the fundamental understanding of the electronic structure of stable nitroxide free radicals thus paving way for a sensible design of new analogues with desired functionalities. We study the gas-phase C 1s, N 1s and O 1s excitation spectra of three nitroxide free radicals - TEMPO and two of its amide-substituted analogues - using the experimental NEXAFS technique and the theoretical TDDFT and ΔDFT methods in the unrestricted setting. The short-range corrected SRC1-BLYP and SRC2-BLYP exchange-correlation functionals are used with TDDFT, and the standard B3LYP functional with ΔDFT. The TDDFT-based detailed spectral assignment includes the valence, mixed valence-Rydberg and Rydberg portions of the spectra from the onset of absorptions to the vicinity of the core-ionization thresholds. The relative overlaps between the experimental and TDDFT-modelled spectra are reasonably good, in the range of 0.7-0.8, 0.6-0.8, and 0.7-0.8 for the C 1s, N 1s, and O 1s spectra, respectively. The extent of spin contamination within the unrestricted framework and its effect on the accuracy of the calculated excitation energies and dipole intensities are discussed in detail. It is concluded that, despite the sizeable spin contamination, the presently used methods are capable of predicting the core-excitation spectra of comparatively large free radical species fairly reliably over a wide spectral range. PMID:27020039

  7. Magnetic order and spin excitations in layered Heisenberg antiferromagnets with compass-model anisotropies

    NASA Astrophysics Data System (ADS)

    Vladimirov, A. A.; Ihle, D.; Plakida, N. M.

    2015-02-01

    The spin-wave excitation spectrum, magnetization, and Néel temperature for the quasi-two-dimensional spin-1/2 antiferromagnetic Heisenberg model with the compass-model interaction in the plane proposed for iridates are calculated in the random phase approximation. The spin-wave spectrum agrees well with data of Lanczos diagonalization. We find that the Néel temperature is enhanced by the compass-model interaction and is close to the experimental value for Ba2IrO4.

  8. Collective spin excitation in finite size array of patterned magnonic crystals

    NASA Astrophysics Data System (ADS)

    Piao, H.-G.; Shim, J.-H.; Pan, L.; Yu, S.-C.; Kim, D.-H.

    2016-04-01

    We explore further details of the collectively excited spin wave mode in finite arrays of elliptically shaped ferromagnetic nanoelements as two-dimensional magnonic crystals by means of micromagnetic simulations. Under a pulsed magnetic driving field, collective spin wave modes were intensively investigated with variation of nanoelement dimensions and interelement separation as structural parameters of the magnonic crystal as well as changing the applied bias magnetic field. Via observing and analyzing the dynamic behavior of collective spin wave modes, we have found that the dynamic behavior strongly depends on the bias magnetic field with a quasi-linear dependency. The quasi-linear dependency of spin wave frequency transition can be achieved to a high sensitivity of the pT/Hz level. By modulating the magnonic crystal lattice structures and the bias magnetic field, the spin wave dynamic behavior is tunable which might be a promising property for a future magnonic crystal application and multifunctional sensors.

  9. The Role of Spin-Orbit Coupling in the Double-Ionization Photoelectron Spectra of XCN(2+) (X = Cl, Br, and I).

    PubMed

    Manna, Soumitra; Mishra, Sabyashachi

    2016-03-10

    The photoelectron spectra of XCN(2+) (X = Cl, Br, and I) were calculated employing ab initio electronic structure methods with high-level electron correlation and explicit treatment of spin-orbit coupling. Twelve scalar-relativistic excited states of the dicationic systems, calculated from state-averaged CASSCF/MRCI calculations, were used as the electronic basis to evaluate spin-orbit eigenstates. While the spin-orbit effects in ClCN(2+) are found to be negligible, the electronic spectroscopy of BrCN(2+) and ICN(2+) is significantly influenced by interstate spin-orbit coupling. Several electronic degeneracies are lifted, and many unexpected accidental degeneracies occurred due to the spin-orbit coupling. In particular, the spin-orbit interactions between X̃ (3)Σ(-)-b̃ (1)Σ(+), Ã (3)Π-c̃ (1)Π, B̃ (3)Δ-ã (1)Δ, and C̃ (3)Σ(+)-d̃ (1)Σ(-) are found to be strong in BrCN(2+) and ICN(2+). By careful analysis of the effect of spin-orbit coupling parameters and the spin-orbit eigenstate composition, an assignment of the hitherto unidentified experimental photoelectron bands of BrCN(2+) and ICN(2+) is presented. PMID:26881722

  10. Ultrafast spin exchange-coupling torque via photo-excited charge-transfer processes

    PubMed Central

    Ma, X.; Fang, F.; Li, Q.; Zhu, J.; Yang, Y.; Wu, Y. Z.; Zhao, H. B.; Lüpke, G.

    2015-01-01

    Optical control of spin is of central importance in the research of ultrafast spintronic devices utilizing spin dynamics at short time scales. Recently developed optical approaches such as ultrafast demagnetization, spin-transfer and spin-orbit torques open new pathways to manipulate spin through its interaction with photon, orbit, charge or phonon. However, these processes are limited by either the long thermal recovery time or the low-temperature requirement. Here we experimentally demonstrate ultrafast coherent spin precession via optical charge-transfer processes in the exchange-coupled Fe/CoO system at room temperature. The efficiency of spin precession excitation is significantly higher and the recovery time of the exchange-coupling torque is much shorter than for the demagnetization procedure, which is desirable for fast switching. The exchange coupling is a key issue in spin valves and tunnelling junctions, and hence our findings will help promote the development of exchange-coupled device concepts for ultrafast coherent spin manipulation. PMID:26508587

  11. Magnetic excitations and anomalous spin wave broadening in multiferroic FeV2O4

    SciTech Connect

    Zhang, Qiang; Ramazanoglu, Mehmet; Chi, Songxue; Liu, Yong; Lograsso, Thomas; Vaknin, David

    2014-01-01

    FeV2O4 is found to show three structural transitions and successive paramagnetic(PM)- collinear ferrimagnetic(CFI)-nocollinear ferrimagnetic(NCFI) magnetic transitions. The tetragonal- orthorhombic structural transition associated with PM-CFI transition is accompanied by the ap- pearance of an energy gap with a high magnitude in the magnetic excitation spectrum, which is a consequence of the strong spin-orbital coupling induced anisotropy at Fe2+ A site. The comparison of Fe spin waves at CFI and noncollinear ferrimagnetic/ferroelectric phases shows no signicant spin frustration of Fe2+ spins at A site, suggesting A-site Fe2+ spins may not play a main role in the appearance of the ferroelectricity. Spin wave damping shows a rapid increase when NCFI transforms to CFI phase, indicating a possible V3+ spin uctuations at B site prior to their true canting in the NCFI phase. The spin wave broadening is also observed at the zone boundary without the spin wave softening, which is discussed in terms of the eect of magnon-phonon coupling. Understanding the

  12. Ultrafast spin exchange-coupling torque via photo-excited charge-transfer processes.

    PubMed

    Ma, X; Fang, F; Li, Q; Zhu, J; Yang, Y; Wu, Y Z; Zhao, H B; Lüpke, G

    2015-01-01

    Optical control of spin is of central importance in the research of ultrafast spintronic devices utilizing spin dynamics at short time scales. Recently developed optical approaches such as ultrafast demagnetization, spin-transfer and spin-orbit torques open new pathways to manipulate spin through its interaction with photon, orbit, charge or phonon. However, these processes are limited by either the long thermal recovery time or the low-temperature requirement. Here we experimentally demonstrate ultrafast coherent spin precession via optical charge-transfer processes in the exchange-coupled Fe/CoO system at room temperature. The efficiency of spin precession excitation is significantly higher and the recovery time of the exchange-coupling torque is much shorter than for the demagnetization procedure, which is desirable for fast switching. The exchange coupling is a key issue in spin valves and tunnelling junctions, and hence our findings will help promote the development of exchange-coupled device concepts for ultrafast coherent spin manipulation. PMID:26508587

  13. Ultrafast spin exchange-coupling torque via photo-excited charge-transfer processes

    SciTech Connect

    Ma, X.; Fang, F.; Li, Q.; Zhu, J.; Yang, Y.; Wu, Y. Z.; Zhao, H. B.; Lüpke, G.

    2015-10-28

    In this study, optical control of spin is of central importance in the research of ultrafast spintronic devices utilizing spin dynamics at short time scales. Recently developed optical approaches such as ultrafast demagnetization, spin-transfer and spin-orbit torques open new pathways to manipulate spin through its interaction with photon, orbit, charge or phonon. However, these processes are limited by either the long thermal recovery time or the low-temperature requirement. Here we experimentally demonstrate ultrafast coherent spin precession via optical charge-transfer processes in the exchange-coupled Fe/CoO system at room temperature. The efficiency of spin precession excitation is significantly higher and the recovery time of the exchange-coupling torque is much shorter than for the demagnetization procedure, which is desirable for fast switching. The exchange coupling is a key issue in spin valves and tunnelling junctions, and hence our findings will help promote the development of exchange-coupled device concepts for ultrafast coherent spin manipulation.

  14. Ultrafast spin exchange-coupling torque via photo-excited charge-transfer processes

    DOE PAGESBeta

    Ma, X.; Fang, F.; Li, Q.; Zhu, J.; Yang, Y.; Wu, Y. Z.; Zhao, H. B.; Lüpke, G.

    2015-10-28

    In this study, optical control of spin is of central importance in the research of ultrafast spintronic devices utilizing spin dynamics at short time scales. Recently developed optical approaches such as ultrafast demagnetization, spin-transfer and spin-orbit torques open new pathways to manipulate spin through its interaction with photon, orbit, charge or phonon. However, these processes are limited by either the long thermal recovery time or the low-temperature requirement. Here we experimentally demonstrate ultrafast coherent spin precession via optical charge-transfer processes in the exchange-coupled Fe/CoO system at room temperature. The efficiency of spin precession excitation is significantly higher and the recoverymore » time of the exchange-coupling torque is much shorter than for the demagnetization procedure, which is desirable for fast switching. The exchange coupling is a key issue in spin valves and tunnelling junctions, and hence our findings will help promote the development of exchange-coupled device concepts for ultrafast coherent spin manipulation.« less

  15. Spin correlations and spin-wave excitations in Dirac-Weyl semimetals

    NASA Astrophysics Data System (ADS)

    Araki, Yasufumi; Nomura, Kentaro

    We study correlations among magnetic dopants in three-dimensional Dirac and Weyl semimetals. Effective field theory for localized magnetic moments is derived by integrating out the itinerant electron degrees of freedom. We find that spin correlation in the spatial direction parallel to local magnetization is more rigid than that in the perpendicular direction, reflecting spin-momentum locking nature of the Dirac Hamiltonian. Such an anisotropy becomes stronger for Fermi level close to the Dirac points, due to Van Vleck paramagnetism triggered by spin-orbit coupling. One can expect topologically nontrivial spin textures under this anisotropy, such as a hedgehog around a single point, or a radial vortex around an axis, as well as a uniform ferromagnetic order. We further investigate the characteristics of spin waves in the ferromagnetic state. Spin-wave dispersion also shows a spatial anisotropy, which is less dispersed in the direction transverse to the magnetization than that in the longitudinal direction. The spin-wave dispersion anisotropy can be traced back to the rigidity and flexibility of spin correlations discussed above. This work was supported by Grant-in-Aid for Scientific Research (Grants No.15H05854, No.26107505, and No.26400308) from the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan.

  16. Effects of instrumental artifacts on triple quantum filtered NMR spectra for spin I = 3/2

    NASA Astrophysics Data System (ADS)

    Sun, Cheng; Wang, Xuefeng; Wang, Zhixiao

    2016-07-01

    In this work, the effects of various instrumental artifacts on the triple quantum filtered NMR spectra for spin I = 3/2 nuclei are investigated. The studied artifacts include finite pulse widths, phase errors, radio frequency field inhomogeneity and pulse transients, which are commonly encountered in practice. The triple quantum filtered spectra are numerically simulated, based on the evolution of the spin density operator under the Hamiltonian for the artifacts. The results show that the presence of the artifacts introduces a shape distortion in the spectrum as well as a variation in the peak intensity, compared with the spectrum without any artifacts. This work indicates that the existence of the instrumental artifacts may cause a misunderstanding of the triple quantum filtered NMR spectra in experiments. The results suggest that one be aware of the instrumental artifacts when performing the triple quantum filtered NMR experiments.

  17. Effects of instrumental artifacts on triple quantum filtered NMR spectra for spin I=3/2.

    PubMed

    Sun, Cheng; Wang, Xuefeng; Wang, Zhixiao

    2016-07-01

    In this work, the effects of various instrumental artifacts on the triple quantum filtered NMR spectra for spin I=3/2 nuclei are investigated. The studied artifacts include finite pulse widths, phase errors, radio frequency field inhomogeneity and pulse transients, which are commonly encountered in practice. The triple quantum filtered spectra are numerically simulated, based on the evolution of the spin density operator under the Hamiltonian for the artifacts. The results show that the presence of the artifacts introduces a shape distortion in the spectrum as well as a variation in the peak intensity, compared with the spectrum without any artifacts. This work indicates that the existence of the instrumental artifacts may cause a misunderstanding of the triple quantum filtered NMR spectra in experiments. The results suggest that one be aware of the instrumental artifacts when performing the triple quantum filtered NMR experiments. PMID:27149654

  18. Detection of pure inverse spin-Hall effect induced by spin pumping at various excitation

    NASA Astrophysics Data System (ADS)

    Inoue, H. Y.; Harii, K.; Ando, K.; Sasage, K.; Saitoh, E.

    2007-10-01

    Electric-field generation due to the inverse spin-Hall effect (ISHE) driven by spin pumping was detected and separated experimentally from the extrinsic magnetogalvanic effects in a Ni81Fe19/Pt film. By applying a sample-cavity configuration in which the extrinsic effects are suppressed, the spin pumping using ferromagnetic resonance gives rise to a symmetric spectral shape in the electromotive force spectrum, indicating that the motive force is due entirely to ISHE. This method allows the quantitative analysis of the ISHE and the spin-pumping effect. The microwave-power dependence of the ISHE amplitude is consistent with the prediction of a direct current-spin-pumping scenario.

  19. Cumulant approach for electronic excitations in x-ray and electron spectra

    NASA Astrophysics Data System (ADS)

    Rehr, J. J.

    A quantitative treatment of electronic excitations and other many-body effects in x-ray and electron spectra has long been challenging. Physically, electronic correlations and atomic vibrations lead to inelastic losses and damping effects that are ignored in ground state methods or approximations such as TDDFT. Quasi-particle (QP) approaches such as the GW approximation yield significant improvements, as demonstrated in real-space Green's function and GW/Bethe-Salpeter equation calculations, but still ignore multi-electron excitations. Recently such excitations have been treated with considerable success using cumulant expansion techniques and the quasi-boson approximation. In this beyond QP approach, excitations such as plasmons and electron-hole excitations appear as satellites in the spectral function. The method naturally accounts for multiple-satellites and can be extended to include extrinsic losses and interference effects. Extensions for effects of vibrations and strong correlations including charge-transfer satellites may also be possible. These advances are illustrated with a number of applications. Supported by DOE Grant DE-FG02-97ER45623.

  20. Parametric excitation in a magnetic tunnel junction-based spin torque oscillator

    SciTech Connect

    Dürrenfeld, P.; Iacocca, E.; Åkerman, J.; Muduli, P. K.

    2014-02-03

    Using microwave current injection at room temperature, we demonstrate parametric excitation of a magnetic tunnel junction (MTJ)-based spin-torque oscillator (STO). Parametric excitation is observed for currents below the auto-oscillation threshold, when the microwave current frequency f{sub e} is twice the STO free-running frequency f{sub 0}. Above threshold, the MTJ becomes parametrically synchronized. In the synchronized state, the STO exhibits an integrated power up to 5 times higher and a linewidth reduction of two orders of magnitude, compared to free-running conditions. We also show that the parametric synchronization favors single mode oscillations in the case of multimode excitation.

  1. Theory of spin-conserving excitation of the N-V(-) center in diamond.

    PubMed

    Gali, Adam; Janzén, Erik; Deák, Péter; Kresse, Georg; Kaxiras, Efthimios

    2009-10-30

    The negatively charged nitrogen-vacancy defect in diamond is an important atomic-scale structure that can be used as a qubit in quantum computing and as a marker in biomedical applications. Its usefulness relies on the ability to optically excite electrons between well-defined gap states, which requires a clear and detailed understanding of the relevant states and excitation processes. Here we show that by using hybrid density-functional-theory calculations in a large supercell we can reproduce the zero-phonon line and the Stokes and anti-Stokes shifts, yielding a complete picture of the spin-conserving excitation of this defect. PMID:19905820

  2. On the interplay between allowed Gamow-Teller and Isovector Spin Monopole (IVSM) excitations

    SciTech Connect

    Bes, D. R.; Civitarese, O.; Suhonen, J.

    2011-12-16

    The excitation of Gamow-Teller (GT) and Isovector Spin Monopole (IVSM) modes in {sup 116}In by (p,n) and (n,p)) charge-exchange reactions is studied within the framework of the Quasiparticle Random-phase Approximation. It is shown that the admixture of the IVSM and Gamow-Teller (GT) excitations is negligible, and that the contribution to the strength above 20 MeV excitation energy, in {sup 116}In, is, most likely, due to the IVSM ({sigma}r{sup 2}{tau}{sup {+-}}) mode.

  3. Fluorescence excitation spectra of all-trans-1,6-diphenylhexatriene conformers: Adiabatic conformer equilibration in the 21Ag state

    NASA Astrophysics Data System (ADS)

    Turek, Andrzej M.; Krishna, Tallapragada S. R.; Brela, Mateusz; Saltiel, Jack

    2016-03-01

    Fluorescence spectra of all-trans-1,6-diphenyl-1,3,5-hexatriene were measured in n-hexadecane at 99 °C by varying λexc in the 294-404 nm range. Resolution of this spectral matrix into s-trans,s-trans and s-cis,s-trans conformer fluorescence spectra yields the λexc dependence of fractional contributions which are converted to conformer specific fluorescence excitation spectra. Conformer absorption spectra obtained from the fluorescence excitation spectra are remarkably similar, but differ significantly from absorption spectra derived from a spectrothermal absorption spectral matrix measured in n-alkanes under isopolarizability conditions. The results reveal substantial conformer equilibration in the excited state. Theory is consistent with adiabatic conformer equilibration in the 21Ag state.

  4. Excitation dynamics in Phycoerythrin 545: modeling of steady-state spectra and transient absorption with modified Redfield theory.

    PubMed

    Novoderezhkin, Vladimir I; Doust, Alexander B; Curutchet, Carles; Scholes, Gregory D; van Grondelle, Rienk

    2010-07-21

    We model the spectra and excitation dynamics in the phycobiliprotein antenna complex PE545 isolated from the unicellular photosynthetic cryptophyte algae Rhodomonas CS24. The excitonic couplings between the eight bilins are calculated using the CIS/6-31G method. The site energies are extracted from a simultaneous fit of the absorption, circular dichroism, fluorescence, and excitation anisotropy spectra together with the transient absorption kinetics using the modified Redfield approach. Quantitative fit of the data enables us to assign the eight exciton components of the spectra and build up the energy transfer picture including pathways and timescales of energy relaxation, thus allowing a visualization of excitation dynamics within the complex. PMID:20643051

  5. Spin excitations of ferronematic order in underdoped cuprate superconductors

    PubMed Central

    Seibold, G.; Di Castro, C.; Grilli, M.; Lorenzana, J.

    2014-01-01

    High-temperature superconductors exhibit a characteristic hourglass-shaped spectrum of magnetic fluctuations which most likely contribute to the pairing glue in the cuprates. Recent neutron scattering experiments in strongly underdoped compounds have revealed a significant low energy anisotropy of these fluctuations which we explain by a model in which topological defects of the antiferromagnet clump to producing domain wall segments with ferronematic order. This state does not invoke global charge order but breaks C4 rotational and inversion symmetry. The incommensurability of the low doping charge-disordered state is in good agreement with experiment and interpolates smoothly with the incommensurability of the stripe phase at higher doping. Within linear spin-wave theory the dynamic structure factor is in very good agreement with inelastic neutron scattering data and can account for the observed energy dependent anisotropy. PMID:24936723

  6. Detection of nanoscale electron spin resonance spectra demonstrated using nitrogen-vacancy centre probes in diamond

    PubMed Central

    Hall, L. T.; Kehayias, P.; Simpson, D. A.; Jarmola, A.; Stacey, A.; Budker, D.; Hollenberg, L. C. L.

    2016-01-01

    Electron spin resonance (ESR) describes a suite of techniques for characterizing electronic systems with applications in physics, chemistry, and biology. However, the requirement for large electron spin ensembles in conventional ESR techniques limits their spatial resolution. Here we present a method for measuring ESR spectra of nanoscale electronic environments by measuring the longitudinal relaxation time of a single-spin probe as it is systematically tuned into resonance with the target electronic system. As a proof of concept, we extracted the spectral distribution for the P1 electronic spin bath in diamond by using an ensemble of nitrogen-vacancy centres, and demonstrated excellent agreement with theoretical expectations. As the response of each nitrogen-vacancy spin in this experiment is dominated by a single P1 spin at a mean distance of 2.7 nm, the application of this technique to the single nitrogen-vacancy case will enable nanoscale ESR spectroscopy of atomic and molecular spin systems. PMID:26728001

  7. Excitation of propagating spin waves in ferromagnetic nanowires by microwave voltage-controlled magnetic anisotropy

    PubMed Central

    Verba, Roman; Carpentieri, Mario; Finocchio, Giovanni; Tiberkevich, Vasil; Slavin, Andrei

    2016-01-01

    The voltage-controlled magnetic anisotropy (VCMA) effect, which manifests itself as variation of anisotropy of a thin layer of a conductive ferromagnet on a dielectric substrate under the influence of an external electric voltage, can be used for the development of novel information storage and signal processing devices with low power consumption. Here it is demonstrated by micromagnetic simulations that the application of a microwave voltage to a nanosized VCMA gate in an ultrathin ferromagnetic nanowire results in the parametric excitation of a propagating spin wave, which could serve as a carrier of information. The frequency of the excited spin wave is twice smaller than the frequency of the applied voltage while its amplitude is limited by 2 mechanisms: (i) the so-called “phase mechanism” described by the Zakharov-L’vov-Starobinets “S-theory” and (ii) the saturation mechanism associated with the nonlinear frequency shift of the excited spin wave. The developed extension of the “S-theory”, which takes into account the second limitation mechanism, allowed us to estimate theoretically the efficiency of the parametric excitation of spin waves by the VCMA effect. PMID:27113392

  8. Excitation of propagating spin waves in ferromagnetic nanowires by microwave voltage-controlled magnetic anisotropy

    NASA Astrophysics Data System (ADS)

    Verba, Roman; Carpentieri, Mario; Finocchio, Giovanni; Tiberkevich, Vasil; Slavin, Andrei

    2016-04-01

    The voltage-controlled magnetic anisotropy (VCMA) effect, which manifests itself as variation of anisotropy of a thin layer of a conductive ferromagnet on a dielectric substrate under the influence of an external electric voltage, can be used for the development of novel information storage and signal processing devices with low power consumption. Here it is demonstrated by micromagnetic simulations that the application of a microwave voltage to a nanosized VCMA gate in an ultrathin ferromagnetic nanowire results in the parametric excitation of a propagating spin wave, which could serve as a carrier of information. The frequency of the excited spin wave is twice smaller than the frequency of the applied voltage while its amplitude is limited by 2 mechanisms: (i) the so-called “phase mechanism” described by the Zakharov-L’vov-Starobinets “S-theory” and (ii) the saturation mechanism associated with the nonlinear frequency shift of the excited spin wave. The developed extension of the “S-theory”, which takes into account the second limitation mechanism, allowed us to estimate theoretically the efficiency of the parametric excitation of spin waves by the VCMA effect.

  9. Excitation of propagating spin waves in ferromagnetic nanowires by microwave voltage-controlled magnetic anisotropy.

    PubMed

    Verba, Roman; Carpentieri, Mario; Finocchio, Giovanni; Tiberkevich, Vasil; Slavin, Andrei

    2016-01-01

    The voltage-controlled magnetic anisotropy (VCMA) effect, which manifests itself as variation of anisotropy of a thin layer of a conductive ferromagnet on a dielectric substrate under the influence of an external electric voltage, can be used for the development of novel information storage and signal processing devices with low power consumption. Here it is demonstrated by micromagnetic simulations that the application of a microwave voltage to a nanosized VCMA gate in an ultrathin ferromagnetic nanowire results in the parametric excitation of a propagating spin wave, which could serve as a carrier of information. The frequency of the excited spin wave is twice smaller than the frequency of the applied voltage while its amplitude is limited by 2 mechanisms: (i) the so-called "phase mechanism" described by the Zakharov-L'vov-Starobinets "S-theory" and (ii) the saturation mechanism associated with the nonlinear frequency shift of the excited spin wave. The developed extension of the "S-theory", which takes into account the second limitation mechanism, allowed us to estimate theoretically the efficiency of the parametric excitation of spin waves by the VCMA effect. PMID:27113392

  10. Ultrafast spin-transfer torque driven by femtosecond pulsed-laser excitation

    NASA Astrophysics Data System (ADS)

    Koopmans, Bert

    A hot topic in the field of ultrafast laser-induced manipulation of the magnetic state is that of the role and exploitation of laser-induced spin currents. Intense debate has been triggered by claims that such a spin-transfer, e.g. in the form of super-diffusive spin currents over tens of nanometers, might be a main contributor to the demagnetization process in ferromagnetic thin films after femtosecond laser excitation. In this presentation the underlying concepts will be introduced and recent developments reviewed. Particularly we demonstrate the possibility to apply a laser-induced spin transfer torque on a free magnetic layer, using a non-collinear multilayer configuration consisting of a free in-plane layer on top of a perpendicularly magnetized injection layer, as separated by a nonmagnetic spacer. Interestingly, this approach allows for a quantitative measurement of the amount of spin transfer. Moreover, it might provide access to novel device architectures in which the magnetic state is controlled by fs laser pulses. Careful analysis of the resulting precession of the free layer allows us to quantify the applied torque, and distinguish between driving mechanisms based on laser-induced transfer of hot electrons versus a spin Seebeck effect due to the large thermal gradients. Further engineering of the layered structures in order to gain fundamental understanding and optimize efficiencies will be reported. A simple model that treats local non-equilibrium magnetization dynamics to spin transport effects via a spin-dependent chemical potential will be introduced.

  11. Excitation and emission spectra of rubidium in rare-gas thin-films

    SciTech Connect

    Gerhardt, Ilja; Sin, Kyungseob; Momose, Takamasa

    2012-07-07

    To understand the optical properties of atoms in solid state matrices, the absorption, excitation, and emission spectra of rubidium doped thin-films of argon, krypton, and xenon were investigated in detail. A two-dimensional spectral analysis extends earlier reports on the excitation and emission properties of rubidium in rare-gas hosts. We found that the doped crystals of krypton and xenon exhibit a simple absorption-emission relation, whereas rubidium in argon showed more complicated spectral structures. Our sample preparation employed in the present work yielded different results for the Ar crystal, but our peak positions were consistent with the prediction based on the linear extrapolation of Xe and Kr data. We also observed a bleaching behavior in rubidium excitation spectra, which suggests a population transfer from one to another spectral feature due to hole-burning. The observed optical response implies that rubidium in rare-gas thin-films is detectable with extremely high sensitivity, possibly down to a single atom level, in low concentration samples.

  12. Ground- and excited-state electronic structure of an iron-containing molecular spin photoswitch

    NASA Astrophysics Data System (ADS)

    Rodriguez, Jorge H.

    2005-09-01

    The electronic structure of the cation of [Fe(ptz)6](BF4)2, a prototype of a class of complexes that display light-induced excited-state spin trapping (LIESST), has been investigated by time-independent and time-dependent density-functional theories. The density of states of the singlet ground state reveals that the highest occupied orbitals are metal centered and give rise to a low spin configuration Fe2+(3dxy↑↓3dxz↑↓3dyz↑↓) in agreement with experiment. Upon excitation with light in the 2.3-3.3eV range, metal-centered spin-allowed but parity-forbidden ligand field (LF) antibonding states are populated which, in conjunction with electron-phonon coupling, explain the experimental absorption intensities. The computed excitation energies are in excellent agreement with experiment. Contrary to simpler models we show that the LF absorption bands, which are important for LIESST, do not originate in transitions from the ground to a single excited state but from transitions to manifolds of nearly degenerate excited singlets. Consistent with crystallography, population of the LF states promotes a drastic dilation of the ligand cage surrounding the iron.

  13. Magnetic excitations and anomalous spin-wave broadening in multiferroic FeV2O4

    SciTech Connect

    Zhang, Qiang; Ramazanoglu, Mehmet; Chi, Songxue; Liu, Yong; Lograsso, Thomas A.; Vaknin, David

    2014-06-01

    We report on the different roles of two orbital-active Fe2+ at the A site and V3+ at the B site in the magnetic excitations and on the anomalous spin-wave broadening in FeV2O4. FeV2O4 exhibits three structural transitions and successive paramagnetic (PM)–collinear ferrimagnetic (CFI)–noncollinear ferrimagnetic (NCFI)/ferroelectric transitions. The high-temperature tetragonal/PM–orthorhombic/CFI transition is accompanied by the appearance of a large energy gap in the magnetic excitations due to strong spin-orbit-coupling-induced anisotropy at the Fe2+ site. While there is no measurable increase in the energy gap from the orbital ordering of V3+ at the orthorhombic/CFI–tetragonal/NCFI transition, anomalous spin-wave broadening is observed in the orthorhombic/CFI state due to V3+ spin fluctuations at the B site. The spin-wave broadening is also observed at the zone boundary without softening in the NCFI/ferroelectric phase, which is discussed in terms of magnon-phonon coupling. Our study also indicates that the Fe2+ spins without the frustration at the A site may not play an important role in inducing ferroelectricity in the tetragonal/NCFI phase of FeV2O4.

  14. Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interaction

    NASA Astrophysics Data System (ADS)

    Casanova, David; Rhee, Young Min; Head-Gordon, Martin

    2008-04-01

    Scaled opposite spin (SOS) second order perturbative corrections to single excitation configuration interaction (CIS) are extended to correctly treat quasidegeneracies between excited states. Two viable methods, termed as SOS-CIS(D0) and SOS-CIS(D1), are defined, implemented, and tested. Each involves one empirical parameter (plus a second for the SOS-MP2 ground state), has computational cost that scales with the fourth power of molecule size, and has storage requirements that are cubic, with only quantities of the rank of single excitations produced and stored during iterations. Tests on a set of low-lying adiabatic valence excitation energies and vertical Rydberg excitations of organic and inorganic molecules show that the empirical parameter can be acceptably transferred from the corresponding nondegenerate perturbation theories without any further fitting. Further tests on higher excited states show that the new methods correctly perform for surface crossings for which nondegenerate approaches fail. Numerical results show that SOS-CIS(D0) appears to treat Rydberg excitations in a more balanced way than SOS-CIS(D1) and is, therefore, likely to be the preferred approach. It should be useful for exploring excited state geometries, transition structures, and conical intersections for states of medium to large organic molecules that are dominated by single excitations.

  15. Tracking the charge and spin dynamics of electronic excited states in inorganic complexes

    NASA Astrophysics Data System (ADS)

    Gaffney, Kelly

    2015-03-01

    Inorganic complexes have many advantageous properties for solar energy applications, including strong visible absorption and photocatalytic activity. Whether used as a photocatalyst or a photosensitizer, the lifetime of electronic excited states and the earth abundance of the molecular components represent a key property for solar energy applications. These dual needs have undermined the usefulness of many coordination compounds. Isoelectronic iron and ruthenium based complexes represent a clear example. Ru-polypyridal based molecules have been the workhorse of solar energy related research and dye sensitized solar cells for decades, but the replacement of low abundance Ru with Fe leads to million-fold reductions in metal to ligand charge transfer (MLCT) excited state lifetimes. Understanding the origin of this million-fold reduction in lifetime and how to control excited state relaxation in 3d-metal complexes motivates the work I will discuss. We have used the spin sensitivity of hard x-ray fluorescence spectroscopy and the intense femtosecond duration pulses generated by the LCLS x-ray laser to probe the spin dynamics in a series of electronically excited [Fe(CN)6-2N(2,2'-bipyridine)N]2 N - 4 complexes, with N = 1-3. These femtosecond resolution measurements demonstrate that modification of the solvent and ligand environment can lengthen the MLCT excited state lifetime by more than two orders of magnitude. They also verify the role of triplet ligand field excited states in the spin crossover dynamics from singlet to quintet spin configurations. Work supported by the AMOS program within the Chemical Sciences, Geosciences, and Biosciences Division of the Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy.

  16. Emergence of nontrivial magnetic excitations in a spin-liquid state of kagomé volborthite.

    PubMed

    Watanabe, Daiki; Sugii, Kaori; Shimozawa, Masaaki; Suzuki, Yoshitaka; Yajima, Takeshi; Ishikawa, Hajime; Hiroi, Zenji; Shibauchi, Takasada; Matsuda, Yuji; Yamashita, Minoru

    2016-08-01

    When quantum fluctuations destroy underlying long-range ordered states, novel quantum states emerge. Spin-liquid (SL) states of frustrated quantum antiferromagnets, in which highly correlated spins fluctuate down to very low temperatures, are prominent examples of such quantum states. SL states often exhibit exotic physical properties, but the precise nature of the elementary excitations behind such phenomena remains entirely elusive. Here, we use thermal Hall measurements that can capture the unexplored property of the elementary excitations in SL states, and report the observation of anomalous excitations that may unveil the unique features of the SL state. Our principal finding is a negative thermal Hall conductivity [Formula: see text] which the charge-neutral spin excitations in a gapless SL state of the 2D kagomé insulator volborthite Cu3V2O7(OH)2[Formula: see text]2H2O exhibit, in much the same way in which charged electrons show the conventional electric Hall effect. We find that [Formula: see text] is absent in the high-temperature paramagnetic state and develops upon entering the SL state in accordance with the growth of the short-range spin correlations, demonstrating that [Formula: see text] is a key signature of the elementary excitation formed in the SL state. These results suggest the emergence of nontrivial elementary excitations in the gapless SL state which feel the presence of fictitious magnetic flux, whose effective Lorentz force is found to be less than 1/100 of the force experienced by free electrons. PMID:27439874

  17. Predicting Near Edge X-ray Absorption Spectra with the Spin-Free Exact-Two-Component Hamiltonian and Orthogonality Constrained Density Functional Theory.

    PubMed

    Verma, Prakash; Derricotte, Wallace D; Evangelista, Francesco A

    2016-01-12

    Orthogonality constrained density functional theory (OCDFT) provides near-edge X-ray absorption (NEXAS) spectra of first-row elements within one electronvolt from experimental values. However, with increasing atomic number, scalar relativistic effects become the dominant source of error in a nonrelativistic OCDFT treatment of core-valence excitations. In this work we report a novel implementation of the spin-free exact-two-component (X2C) one-electron treatment of scalar relativistic effects and its combination with a recently developed OCDFT approach to compute a manifold of core-valence excited states. The inclusion of scalar relativistic effects in OCDFT reduces the mean absolute error of second-row elements core-valence excitations from 10.3 to 2.3 eV. For all the excitations considered, the results from X2C calculations are also found to be in excellent agreement with those from low-order spin-free Douglas-Kroll-Hess relativistic Hamiltonians. The X2C-OCDFT NEXAS spectra of three organotitanium complexes (TiCl4, TiCpCl3, TiCp2Cl2) are in very good agreement with unshifted experimental results and show a maximum absolute error of 5-6 eV. In addition, a decomposition of the total transition dipole moment into partial atomic contributions is proposed and applied to analyze the nature of the Ti pre-edge transitions in the three organotitanium complexes. PMID:26584082

  18. Magnetic phase transitions and monopole excitations in spin ice under uniaxial pressure: A Monte Carlo simulation

    SciTech Connect

    Xie, Y. L. Yan, Z. B.; Liu, J.-M.; Lin, L.

    2015-05-07

    In this work, we explore the spin ice model under uniaxial pressure using the Monte Carlo simulation method. For the known spin ices, the interaction correction (δ) introduced by the uniaxial pressure varies in quite a wide range from positive to negative. When δ is positive, the ground state characterized by the ferromagnetic spin chains is quite unstable, and in real materials it serves as intermediate state connecting the ice state and the long range ordered dipolar spin ice ground state. In the case of negative δ, the system relaxes from highly degenerate ice state to ordered ferromagnetic state via a first order phase transition. Furthermore, the domain walls in such ferromagnetic state are the hotbed of the excitations of magnetic monopoles, thus indicating that the uniaxial pressure can greatly increase the monopole density.

  19. Quantum counter for correcting fluorescence excitation spectra at 320- to 800-nm wavelengths.

    PubMed

    Nothnagel, E A

    1987-05-15

    A procedure for recording corrected fluorescence excitation spectra to wavelengths as long as 800 nm is described. The procedure involves the use of a commercial spectrofluorometer, which is modified by substituting 1,1',3,3,3',3'-hexamethylindotricarbocyanine perchlorate in place of rhodamine B as the quantum counter dye. This modification is applicable to spectrofluorometers supplied by several different manufacturers and can be accomplished by a user having only modest technical skills. A study of the fluorescence excitation spectrum of bacteriochlorophyll a is presented as an illustration of the use of the procedure. The procedure will be valuable in biological and biochemical studies that involve the use of long-wavelength fluorescent probes of either natural or synthetic origin. PMID:3619023

  20. Excitation-induced energy shifts in the optical gain spectra of InN quantum dots

    NASA Astrophysics Data System (ADS)

    Lorke, M.; Seebeck, J.; Gartner, P.; Jahnke, F.; Schulz, S.

    2009-08-01

    A microscopic theory for the optical absorption and gain spectra of InN quantum-dot systems is used to study the combined influence of material properties and interaction-induced effects. Atomistic tight-binding calculations for the single-particle properties of the self-assembled quantum-dot and wetting-layer system are used in conjunction with a many-body description of Coulomb interaction and carrier phonon interaction. We analyze the carrier-density and temperature dependence of strong excitation-induced energy shifts of the dipole-allowed quantum-dot transitions.

  1. Near-infrared long-slit spectra of Seyfert galaxies: gas excitation across the central kiloparsec

    NASA Astrophysics Data System (ADS)

    van der Laan, T. P. R.; Schinnerer, E.; Böker, T.; Armus, L.

    2013-12-01

    Context. The excitation of the gas phase of the interstellar medium can be driven by various mechanisms. In galaxies with an active nucleus, such as Seyfert galaxies, both radiative and mechanical energy from the central black hole, or the stars in the disk surrounding it may play a role. Aims: We investigate the relative importance and range of influence of the active galactic nucleus for the excitation of ionized and molecular gas in the central kiloparsec of its host galaxy. Methods: We present H- and K-band long-slit spectra for a sample of 21 nearby (D < 70 Mpc) Seyfert galaxies obtained with the NIRSPEC instrument on the Keck telescope. For each galaxy, we fit the nebular line emission, stellar continua, and warm molecular gas as a function of distance from the nucleus. Results: Our analysis does not reveal a clear difference between the nucleus proper and off-nuclear environment in terms of excitation mechanisms, suggesting that the influence of an AGN reaches far into the disk of the host galaxy. The radial variations in emission line ratios indicate that, while local mechanisms do affect the gas excitation, they are often averaged out when measuring over extended regions. The data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation.Table 4 and Appendix A are available in electronic form at http://www.aanda.orgThe fully calibrated long-slit spectra and fitting are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/560/A99

  2. The D(D3)-anyon chain: integrable boundary conditions and excitation spectra

    NASA Astrophysics Data System (ADS)

    Finch, Peter E.; Frahm, Holger

    2013-05-01

    Chains of interacting non-Abelian anyons with local interactions invariant under the action of the Drinfeld double of the dihedral group D3 are constructed. Formulated as a spin chain the Hamiltonians are generated from commuting transfer matrices of an integrable vertex model for periodic and braided as well as open boundaries. A different anyonic model with the same local Hamiltonian is obtained within the fusion path formulation. This model is shown to be related to an integrable fusion interaction round the face model. Bulk and surface properties of the anyon chain are computed from the Bethe equations for the spin chain. The low-energy effective theories and operator content of the models (in both the spin chain and fusion path formulation) are identified from analytical and numerical studies of the finite-size spectra. For all boundary conditions considered the continuum theory is found to be a product of two conformal field theories. Depending on the coupling constants the factors can be a Z4 parafermion or a {M}_{(5,6)} minimal model.

  3. Spin transport in undoped InGaAs/AlGaAs multiple quantum well studied via spin photocurrent excited by circularly polarized light.

    PubMed

    Zhu, Laipan; Liu, Yu; Huang, Wei; Qin, Xudong; Li, Yuan; Wu, Qing; Chen, Yonghai

    2016-12-01

    The spin diffusion and drift at different excitation wavelengths and different temperatures have been studied in undoped InGaAs/AlGaAs multiple quantum well (MQW). The spin polarization was created by optical spin orientation using circularly polarized light, and the reciprocal spin Hall effect was employed to measure the spin polarization current. We measured the ratio of the spin diffusion coefficient to the mobility of spin-polarized carriers. From the wavelength dependence of the ratio, we found that the spin diffusion and drift of holes became as important as electrons in this undoped MQW, and the ratio for light holes was much smaller than that for heavy holes at room temperature. From the temperature dependence of the ratio, the correction factors for the common Einstein relationship for spin-polarized electrons and heavy holes were firstly obtained to be 93 and 286, respectively. PMID:26744148

  4. Multiplons in the two-hole excitation spectra of the one-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Rausch, Roman; Potthoff, Michael

    2016-02-01

    Using the density-matrix renormalization group in combination with the Chebyshev polynomial expansion technique, we study the two-hole excitation spectrum of the one-dimensional Hubbard model in the entire filling range from the completely occupied band (n = 2) down to half-filling (n = 1). For strong interactions, the spectra reveal multiplon physics, i.e., relevant final states are characterized by two (doublon), three (triplon), four (quadruplon) and more holes, potentially forming stable compound objects or resonances with finite lifetime. These give rise to several satellites in the spectra with largely different spectral weights as well as to different two-hole, doublon-hole, two-doublon etc continua. The complex multiplon phenomenology is analyzed by interpreting not only local and k-resolved two-hole spectra but also three- and four-hole spectra for the Hubbard model and by referring to effective low-energy models. In addition, a filter-operator technique is presented and applied which allows to extract specific information on the final states at a given excitation energy. While multiplons composed of an odd number of holes do neither form stable compounds nor well-defined resonances unless a nearest-neighbor density interaction V is added to the Hamiltonian, the doublon and the quadruplon are well-defined resonances. The k-resolved four-hole spectrum at n = 2 represents an interesting special case where a completely stable quadruplon turns into a resonance by merging with the doublon-doublon continuum at a critical wave vector. For all fillings with n\\gt 1, the doublon lifetime is strongly k-dependent and is even infinite at the Brillouin zone edges as demonstrated by k-resolved two-hole spectra. This can be traced back to the ‘hidden’ charge-SU(2) symmetry of the model which is explicitly broken off half-filling and gives rise to a massive collective excitation, even for arbitrary higher-dimensional but bipartite lattices.

  5. Wall-like spin excitations in A-type antiferromagnetic CaCo2As2

    NASA Astrophysics Data System (ADS)

    Sapkota, A.; Ueland, B. G.; Pandey, Abhishek; Johnston, D. C.; Kreyssig, A.; McQueeney, R. J.; Goldman, A. I.; Anand, V. K.; Niedziela, J. L.; Abernathy, D. L.

    The ACo2As2 (A = Ca, Sr, Ba) compounds are structurally and chemically similar to AFe2As2 and possess some interesting similarities and differences in their magnetism. We recently discovered that SrCo2As2 has stripe antiferromagnetic (AFM) spin correlations similar to stripe-ordered AFe2As2. On the other hand, CaCo2As2 orders in an A-type AFM structure with ferromagnetic correlation of the spins in the square-lattice Co-layer and AFM correlations between layers. Despite the A-type order, our recent inelastic neutron scattering measurements show that spin excitations in CaCo2As2 are not associated with either the A-type or stripe-type order. Instead, we observe broad excitations that extend longitudinally (along (1,1,0) in reciprocal space), but remain sharply defined in the transverse direction. These excitations seem to be best characterized as a ``wall'' of scattering and suggest that CaCo2As2 has quasi-one-dimensional spin dynamics very different than in AFe2As2 and SrCo2As2. Work at Ames Laboratory was supported by US DOE, Basic Energy Sciences, Division of Materials Sciences and Engineering, under Contract No. DE-AC02-07CH11358. Work at ORNL was supported by US DOE, Office of Basic Energy Sciences, Scientific User Facilities Division.

  6. Rotational Excitation Spectroscopy with the Scanning Tunneling Microscope - Distinction of Nuclear Spin States

    NASA Astrophysics Data System (ADS)

    Natterer, Fabian Donat; Patthey, François; Brune, Harald

    2014-03-01

    The appeal of inelastic electron tunneling spectroscopy with the scanning tunneling microscope (STM) stems from its unmatched spatial resolution and the ability to measure the magnetic, electronic and vibrational properties of individual atoms and molecules. Rotational excitations of molecules could provide additional information of surface processes but have hitherto remained elusive. Here we demonstrate rotational excitation spectroscopy (RES) with the STM for hydrogen and its isotopes on graphene and hexagonal boron nitride. Since the Pauli principle imposes restrictions on the allowed rotational levels J for molecules with identical nuclei, a certain alignment of the nuclear spins entails a specific set of rotational levels. Conversely, measuring the rotational levels allows characterizing the molecular nuclear spin state. We measured excitation energies at 44 meV and 21 meV, corresponding to rotational transitions J = 0 --> 2 for hydrogen and deuterium. We thereby identify the nuclear spin isomers para-H2 and ortho-D2. For HD, we observe J = 0 --> 1 and J = 0 --> 2 transitions, as expected for heteronuclear diatomics. Our measurements demonstrate the potential of STM-RES in the study of nuclear spin states with unprecedented spatial resolution. We acknowledge funding from the Swiss National Science Foundation under Projects No. 140479 and No. 148891.

  7. Quantum spin excitations through the metal-to-insulator crossover in YBa2Cu3O6+y

    SciTech Connect

    Li, Shiliang; Yamani, Zahra; Kang, Hye Jung; Ando, Y.; Yao, Xin; Mook Jr, Herbert A; Dai, Pengcheng

    2008-01-01

    We use inelastic neutron scattering to study the temperature dependence of the spin excitations of a detwinned superconducting YBa{sub 2}Cu{sub 3}O{sub 6.45} (T{sub c} = 48 K). In contrast to earlier work on YBa{sub 2}Cu{sub 3}O{sub 6.5} (T{sub c} = 58 K), where the prominent features in the magnetic spectra consist of a sharp collective magnetic excitation termed 'resonance' and a large ({h_bar} {omega} {approx} 15 meV) superconducting spin gap, we find that the spin excitations in YBa{sub 2}Cu{sub 3}O{sub 6.45} are gapless and have a much broader resonance. Our detailed mapping of magnetic scattering along the a*/b*-axis directions at different energies reveals that spin excitations are unisotropic and consistent with the 'hourglasslike' dispersion along the a*-axis direction near the resonance, but they are isotropic at lower energies. Since a fundamental change in the low-temperature normal state of YBa{sub 2}Cu{sub 3}O{sub 6+y} when superconductivity is suppressed takes place at y {approx} 0.5 with a metal-to-insulator crossover (MIC), where the ground state transforms from a metallic to an insulating like phase, our results suggest a clear connection between the large change in spin excitations and the MIC. The resonance therefore is a fundamental feature of metallic ground state superconductors and a consequence of high-T{sub c} superconductivity.

  8. Excited-state entanglement and thermal mutual information in random spin chains

    NASA Astrophysics Data System (ADS)

    Huang, Yichen; Moore, Joel E.

    2014-12-01

    Entanglement properties of excited eigenstates (or of thermal mixed states) are difficult to study with conventional analytical methods. We approach this problem for random spin chains using a recently developed real-space renormalization group technique for excited states ("RSRG-X"). For the random XX and quantum Ising chains, which have logarithmic divergences in the entanglement entropy of their (infinite-randomness) critical ground states, we show that the entanglement entropy of excited eigenstates retains a logarithmic divergence while the mutual information of thermal mixed states does not. However, in the XX case the coefficient of the logarithmic divergence extends from the universal ground-state value to a universal interval due to the degeneracy of excited eigenstates. These models are noninteracting in the sense of having free-fermion representations, allowing strong numerical checks of our analytical predictions.

  9. Spin-torque excited spin waves revealed by micro-focused Brillouin light scattering

    NASA Astrophysics Data System (ADS)

    Madami, Marco

    2012-02-01

    Since the discovery of the spin transfer torque (STT) effect [1,2] a great effort has been devoted to the realization and study of spin torque oscillators (STOs) because of their potential applications as spin waves injectors in magnonic devices or current-tunable broad-band microwave sources. More recently the possibility to synchronize multiple STOs [3,4] via the emitted spin waves, propagating in the magnetic ``free'' layer, envisioned a way to overcome their main limitation in the output power. For these reasons it's now crucial to obtain a detailed knowledge and understanding of the emitted spin waves properties like: their spatial distribution, their propagating or localized character, their decay length, wavelength and group velocity. In the last two years micro-focused Brillouin light scattering (μ-BLS) revealed to be a powerful tool in order to investigate several of this properties [5,6]. In this presentation we discuss the potentialities of μ-BLS to the study of emitted spin waves in STOs systems with particular focus on the results of our latest work [6]. Here we took advantage of our μ-BLS setup in order to study spin waves emitted by an out-of-plane magnetized nano-contact STO. Performing a ``wave-vector resolved'' μ-BLS experiment we provided the first direct experimental evidence of the propagating nature of SWs emitted from an out-of-plane magnetized STO. The decay of the propagating SW intensity up to several microns away from the nano-contact position showed great potential for STT based magnonic devices. We also investigated the STO tunability measuring the emitted SW frequency as a function of both the applied direct current and external field intensities. Micromagnetic simulations provided the theoretical support to quantitatively reproduce the results. [4pt] [1] Slonczewski, J. C. J. Magn. Magn. Mater. 159, L1 (1996).[0pt] [2] Berger, L. Phys. Rev. B 54, 9353 (1996).[0pt] [3] Kaka, S. et al. Nature 437, 389 (2005).[0pt] [4] Mancoff, F. B

  10. Raman study of spin excitations in the tunable quantum spin ladder Cu (Qnx ) (Cl1-xBrx)2

    NASA Astrophysics Data System (ADS)

    Simutis, G.; Gvasaliya, S.; Xiao, F.; Landee, C. P.; Zheludev, A.

    2016-03-01

    Raman spectroscopy is used to study magnetic excitations in the quasi-one-dimensional S =1 /2 quantum spin systems Cu(Qnx ) (Cl1-xBrx) 2 . The low energy spectrum is found to be dominated by a two-magnon continuum as expected from the numerical calculations for the Heisenberg spin ladder model. The continuum shifts to higher energies as more Br is introduced. The cutoff of the scattering increases faster than the onset indicating that the increase of the exchange constant along the leg is the main effect on the magnetic properties. The upper and lower continuum thresholds are measured as a function of Br content across the entire range and compared to estimates based on previous bulk studies. We observe small systematic deviations that are discussed.

  11. Magnetic order and spin excitations in the Kitaev-Heisenberg model on a honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Vladimirov, A. A.; Ihle, D.; Plakida, N. M.

    2016-06-01

    We consider the quasi-two-dimensional pseudo-spin-1/2 Kitaev-Heisenberg model proposed for A2IrO3 (A = Li, Na) compounds. The spin-wave excitation spectrum, the sublattice magnetization, and the transition temperatures are calculated in the random phase approximation for four different ordered phases observed in the parameter space of the model: antiferromagnetic, stripe, ferromagnetic, and zigzag phases. The Néel temperature and temperature dependence of the sublattice magnetization are compared with the experimental data on Na2IrO3.

  12. Excitations from a Bose-Einstein Condensate of Magnons in Coupled Spin Ladders

    SciTech Connect

    Garlea, Vasile O; Zheludev, Andrey I; Masuda, T.; Manaka, H.; Regnault, L.-P.; Ressouche, E.; Grenier, B.; Chung, J.-H.; Qiu, Y.; Habicht, Klaus; Kiefer, K.; Boehm, Martin

    2007-01-01

    The weakly coupled quasi-one-dimensional spin ladder compound CH32HHNH3CuCl3 is studied by neutron scattering in magnetic fields exceeding the critical field of Bose-Einstein condensation of magnons. Commensurate long-range order and the associated Goldstone mode are detected and found to be similar to those in reference to spin-dimer materials. However, for the upper two massive magnon branches, the observed behavior is totally different, culminating in a drastic collapse of excitation bandwidth beyond the transition point.

  13. Stable oscillation in spin torque oscillator excited by a small in-plane magnetic field

    SciTech Connect

    Taniguchi, Tomohiro; Tsunegi, Sumito; Kubota, Hitoshi; Ito, Takahiro; Utsumi, Yasuhiro

    2015-08-07

    Theoretical conditions to excite self-oscillation in a spin torque oscillator consisting of a perpendicularly magnetized free layer and an in-plane magnetized pinned layer are investigated by analytically solving the Landau-Lifshitz-Gilbert equation. The analytical relation between the current and oscillation frequency is derived. It is found that a large amplitude oscillation can be excited by applying a small field pointing to the direction anti-parallel to the magnetization of the pinned layer. The validity of the analytical results is confirmed by comparing with numerical simulation, showing good agreement especially in a low current region.

  14. Stable oscillation in spin torque oscillator excited by a small in-plane magnetic field

    NASA Astrophysics Data System (ADS)

    Taniguchi, Tomohiro; Ito, Takahiro; Utsumi, Yasuhiro; Tsunegi, Sumito; Kubota, Hitoshi

    2015-08-01

    Theoretical conditions to excite self-oscillation in a spin torque oscillator consisting of a perpendicularly magnetized free layer and an in-plane magnetized pinned layer are investigated by analytically solving the Landau-Lifshitz-Gilbert equation. The analytical relation between the current and oscillation frequency is derived. It is found that a large amplitude oscillation can be excited by applying a small field pointing to the direction anti-parallel to the magnetization of the pinned layer. The validity of the analytical results is confirmed by comparing with numerical simulation, showing good agreement especially in a low current region.

  15. Vibrationally resolved O 1s core-excitation spectra of CO and NO

    SciTech Connect

    Puettner, R.; Domke, M.; Kaindl, G.; Dominguez, I.; Rotenberg, E.; Warwick, T.; Schlachter, A.S.; Morgan, T.J.; Cisneros, C.; Fink, R.F.

    1999-05-01

    High-resolution photoabsorption spectra of CO and NO below the O 1s ionization threshold are presented. The vibrational fine structure of the O 1s{r_arrow}{pi}{sup {asterisk}} and O 1s{sup {minus}1} Rydberg excitations could be resolved for both molecules, allowing a determination of the vibrational energies and intramolecular distances of the core-excitation states in CO and NO from Franck-Condon analyses. {ital Ab initio} calculations are performed for the O 1s{r_arrow}{pi}{sup {asterisk}} excitation in CO to give an independent confirmation of the spectroscopic parameters derived from the Franck-Condon analysis. The spectral features of the O 1s{sup {minus}1} Rydberg region in CO are reassigned on the basis of the experimental results. The results obtained for the O 1s{sup {minus}1}3s Rydberg state in NO support the idea of a weakening of the molecular bond upon an O 1s{sup {minus}1} ionization process. thinsp thinsp {copyright} {ital 1999} {ital The American Physical Society}

  16. High-resolution Valence and Core Excitation Spectra via First-Principles Calculations and Experiment

    NASA Astrophysics Data System (ADS)

    Shirley, Eric; Fossard, F.; Gilmore, K.; Hug, G.; Kas, J. J.; Rehr, J. J.; Vila, F.

    We calculate the optical and C K-edge near edge spectra of crystalline and molecular C60 measured with high-resolution electron energy-loss spectroscopy. The calculations are carried out using at least three different methods: Bethe-Salpeter calculations using the NIST Bethe-Salpeter Equation solver (NBSE) in the valence and OCEAN (Obtaining Core Excitation with Ab initio methods and NBSE) suite [Gilmore et al., Comp. Phys. Comm., (2015)]; excited-core-hole calculations using XCH [D. Prendergast and G. Galli, Phys. Rev. Lett. 96, 215502 (2006)]; and constrained occupancy using StoBe (Stockholm-Berlin core-excitation code) [StoBe-deMon version 3.0, K. Hermann et al. (2009)]. They include self-energy effects, lifetime-damping, and Debye-Waller effects. A comparison of spectral features to those observed illustrates the sensitivity of certain features to computation details (e.g., self-energy corrections and core-hole screening). This may point to limitations of various approximations, e.g. in conventional BSE paradigm and/or the incomplete treatment of vibrational effects. Supported in part by DOE BES Grant DE-FG03-97ER45623 (JJR, JJK, FV).

  17. Equation-of-motion coupled cluster method for the description of the high spin excited states.

    PubMed

    Musiał, Monika; Lupa, Łukasz; Kucharski, Stanisław A

    2016-04-21

    The equation-of-motion (EOM) coupled cluster (CC) approach in the version applicable for the excitation energy(EE) calculations has been formulated for high spin components. The EE-EOM-CC scheme based on the restricted Hartree-Fock reference and standard amplitude equations as used in the Davidson diagonalization procedure yields the singlet states. The triplet and higher spin components require separate amplitude equations. In the case of quintets, the relevant equations are much simpler and easier to solve. Out of 26 diagrammatic terms contributing to the R1 and R2 singlet equations in the case of quintets, only R2 operator survives with 5 diagrammatic terms present. In addition all terms engaging three body elements of the similarity transformed Hamiltonian disappear. This indicates a substantial simplification of the theory. The implemented method has been applied to the pilot study of the excited states of the C2 molecule and quintet states of C and Si atoms. PMID:27389207

  18. Low-energy singlet excitations in spin-1/2 Heisenberg antiferromagnet on square lattice

    NASA Astrophysics Data System (ADS)

    Aktersky, A. Yu.; Syromyatnikov, A. V.

    2016-05-01

    We present an approach based on a dimer expansion which describes low-energy singlet excitations (singlons) in spin-1/2 Heisenberg antiferromagnet on simple square lattice. An operator ("effective Hamiltonian") is constructed whose eigenvalues give the singlon spectrum. The "effective Hamiltonian" looks like a Hamiltonian of a spin-1/2 magnet in strong external magnetic field and it has a gapped spectrum. It is found that singlet states lie above triplet ones (magnons) in the whole Brillouin zone except in the vicinity of the point (π , 0), where their energies are slightly smaller. Based on this finding, we suggest that a magnon decay is possible near (π , 0) into another magnon and a singlon which may contribute to the dip of the magnon spectrum near (π , 0) and reduce the magnon lifetime. It is pointed out that the singlon-magnon continuum may contribute to the continuum of excitations observed recently near (π , 0).

  19. Liquid ground state, gap, and excited states of a strongly correlated spin chain.

    PubMed

    Lesanovsky, Igor

    2012-03-01

    We present an exact solution of an experimentally realizable and strongly interacting one-dimensional spin system which is a limiting case of a quantum Ising model with long range interaction in a transverse and longitudinal field. Pronounced quantum fluctuations lead to a strongly correlated liquid ground state. For open boundary conditions the ground state manifold consists of four degenerate sectors whose quantum numbers are determined by the orientation of the edge spins. Explicit expressions for the entanglement properties, the exact excitation gap, as well as the exact wave functions for a couple of excited states are analytically derived and discussed. We outline how this system can be experimentally realized in a lattice gas of Rydberg atoms. PMID:22463419

  20. Theoretical probing of inelastic spin-excitations in adatoms on surfaces

    NASA Astrophysics Data System (ADS)

    Lounis, Samir; Schweflinghaus, Benedikt; Dias, Manuel dos Santos; Bouhassoune, Mohammed; Muniz, Roberto B.; Costa, Antonio T.

    2014-12-01

    We review our recent work on the simulation, description and prediction of spin-excitations in adatoms and dimers deposited on metallic surfaces. This work done together with Douglas L. Mills, is an extension of his seminal contribution (with Pascal Lederer) published 50 years ago on the spin-dynamics of transition metal impurities embedded in transition metal hosts [Lederer et al. (1967)]. The main predictions of his model were verified experimentally with state of the art inelastic scanning tunneling spectroscopy on adatoms. Our formalism, presented in this review, is based on time-dependent density functional theory, combined with the Korringa-Kohn-Rostoker Green function method. Comparison to experiments is shown and discussed in detail. Our scheme enables the description and prediction of the main characteristics of these excitations, i.e. their resonance frequency, their lifetime and their behavior upon application of external perturbations such as a magnetic field.

  1. Equation-of-motion coupled cluster method for the description of the high spin excited states

    NASA Astrophysics Data System (ADS)

    Musiał, Monika; Lupa, Łukasz; Kucharski, Stanisław A.

    2016-04-01

    The equation-of-motion (EOM) coupled cluster (CC) approach in the version applicable for the excitation energy (EE) calculations has been formulated for high spin components. The EE-EOM-CC scheme based on the restricted Hartree-Fock reference and standard amplitude equations as used in the Davidson diagonalization procedure yields the singlet states. The triplet and higher spin components require separate amplitude equations. In the case of quintets, the relevant equations are much simpler and easier to solve. Out of 26 diagrammatic terms contributing to the R1 and R2 singlet equations in the case of quintets, only R2 operator survives with 5 diagrammatic terms present. In addition all terms engaging three body elements of the similarity transformed Hamiltonian disappear. This indicates a substantial simplification of the theory. The implemented method has been applied to the pilot study of the excited states of the C2 molecule and quintet states of C and Si atoms.

  2. Spin excitations in the two-dimensional strongly coupled dimer system malachite

    NASA Astrophysics Data System (ADS)

    Canévet, E.; Fâk, B.; Kremer, R. K.; Chun, J. H.; Enderle, M.; Gordon, E. E.; Bettis, J. L.; Whangbo, M.-H.; Taylor, J. W.; Adroja, D. T.

    2015-02-01

    The mineral malachite, Cu 2(OD )2CO 3, has a quantum spin-liquid ground state and no long-range magnetic order down to at least T =0.4 K. Inelastic neutron scattering measurements show that the excitation spectrum consists of dispersive gapped singlet-triplet excitations, characteristic of spin-1/2 dimer-forming Heisenberg antiferromagnets. We identify a distinct two-dimensional dimerized coupling scheme with strong interdimer coupling J'/J1≈0.3 that places malachite between strongly coupled alternating chains, square lattice antiferromagnets, and infinite-legged ladders. The geometry of the interaction scheme resembles the staggered dimer lattice, which may allow unconventional quantum criticality.

  3. Sensitivity of Raman spectra excited at 325 nm to surface treatments of undoped polycrystalline diamond films

    NASA Astrophysics Data System (ADS)

    Ghodbane, S.; Deneuville, A.; Tromson, D.; Bergonzo, P.; Bustarret, E.; Ballutaud, D.

    2006-08-01

    About 20 m thick films were deposited in the same run by MPCVD at 900 °C on Si substrates and then hydrogenated in situ during 30 min with a hydrogen plasma at the same temperature. Their surfaces were kept as prepared or more or less strongly oxidized by annealing at 600 °C under ambient atmosphere or by sulphochromic acid or aqua regia treatments. Raman spectra were excited at 325 and 632.8 nm. Spectra of the as-prepared sample exhibit structures around 2835 and 2895 cm-1 from monohydride carbon-hydrogen ascribed to the atomically flat (111) and (100) areas, respectively, on the facets of the sample surface crystallites. The decrease of these structures in the normalized spectra after the various oxidation treatments confirms these assignments. The decrease is smaller for the aqua regia treatment than for the two other treatments which give similar effects. Other Raman signals from sp2 C around 1589 cm-1 and CHx bonds around 2930, 2952, 3025 and 3050 cm-1 originate from species at the surface and within the films. Their variation with the oxidizing treatments indicates a significant contribution from the surface species.

  4. Analysis of anisotropic spin-label motion in saturation-transfer ESR spectra of spin-labeled cowpea chlorotic mottle virus

    NASA Astrophysics Data System (ADS)

    Hemminga, M. A.; Faber, A. J.

    A saturation-transfer ESR study is carried out on maleimide spin-labeled cowpea chlorotic mottle virus dissolved in various glycerol-water systems. The saturation-transfer ESR spectra were analyzed by comparing them with reference spectra of isotropically reorienting spin labels. The results are interpreted in terms of the overall motion of the virus particle, described by an isotropic rotational correlation time τR, and a local anisotropic spin-label motion with rotational correlation times τ| and τ⊥.

  5. Fully Suspended, Five-Axis, Three-Magnetic-Bearing Dynamic Spin Rig With Forced Excitation

    NASA Technical Reports Server (NTRS)

    Morrison, Carlos R.; Provenza, Andrew; Kurkov, Anatole; Montague, Gerald; Duffy, Kirsten; Mehmed, Oral; Johnson, Dexter; Jansen, Ralph

    2004-01-01

    The Five-Axis, Three-Magnetic-Bearing Dynamic Spin Rig, a significant advancement in the Dynamic Spin Rig (DSR), is used to perform vibration tests of turbomachinery blades and components under rotating and nonrotating conditions in a vacuum. The rig has as its critical components three magnetic bearings: two heteropolar radial active magnetic bearings and a magnetic thrust bearing. The bearing configuration allows full vertical rotor magnetic suspension along with a feed-forward control feature, which will enable the excitation of various natural blade modes in bladed disk test articles. The theoretical, mechanical, electrical, and electronic aspects of the rig are discussed. Also presented are the forced-excitation results of a fully levitated, rotating and nonrotating, unbladed rotor and a fully levitated, rotating and nonrotating, bladed rotor in which a pair of blades was arranged 180 degrees apart from each other. These tests include the bounce mode excitation of the rotor in which the rotor was excited at the blade natural frequency of 144 Hz. The rotor natural mode frequency of 355 Hz was discerned from the plot of acceleration versus frequency. For nonrotating blades, a blade-tip excitation amplitude of approximately 100 g/A was achieved at the first-bending critical (approximately 144 Hz) and at the first-torsional and second-bending blade modes. A blade-tip displacement of 70 mils was achieved at the first-bending critical by exciting the blades at a forced-excitation phase angle of 908 relative to the vertical plane containing the blades while simultaneously rotating the shaft at 3000 rpm.

  6. Nanometer-scale scanning magnetometry of spin structures and excitations using Nitrogen-vacancy centers

    NASA Astrophysics Data System (ADS)

    Dovzhenko, Yuliya

    The development of increasingly sensitive scanning techniques has led to new insights into the physics of interacting condensed matter systems. Recently, Nitrogen-Vacancy (NV) centers in diamond emerged as a promising scanning magnetic imaging platform capable of operating in a broad range of temperatures and magnetic fields, with sensitivity and resolution capable of imaging a single electron spin with sub-nanometer resolution under ambient conditions. In this talk we will review some of the recent developments in this new scanning platform. We will describe our recent progress in using a single NV center in a scanning diamond nano-pillar to study condensed matter magnetism at both room and low temperatures. In particular, we demonstrate the use of scanning NV magnetometry to image stray fields originating from static chiral spin structures, as well as to detect resonant and off-resonant low-energy spin excitations.

  7. Controlled Rephasing of Single Collective Spin Excitations in a Cold Atomic Quantum Memory

    NASA Astrophysics Data System (ADS)

    Albrecht, Boris; Farrera, Pau; Heinze, Georg; Cristiani, Matteo; de Riedmatten, Hugues

    2015-10-01

    We demonstrate active control of inhomogeneous dephasing and rephasing for single collective atomic spin excitations (spin waves) created by spontaneous Raman scattering in a quantum memory based on cold 87Rb atoms. The control is provided by a reversible external magnetic field gradient inducing an inhomogeneous broadening of the atomic hyperfine levels. We demonstrate experimentally that active rephasing preserves the single photon nature of the retrieved photons. Finally, we show that the control of the inhomogeneous dephasing enables the creation of time-separated spin waves in a single ensemble followed by a selective read-out in time. This is an important step towards the implementation of a functional temporally multiplexed quantum repeater node.

  8. Controlled Rephasing of Single Collective Spin Excitations in a Cold Atomic Quantum Memory.

    PubMed

    Albrecht, Boris; Farrera, Pau; Heinze, Georg; Cristiani, Matteo; de Riedmatten, Hugues

    2015-10-16

    We demonstrate active control of inhomogeneous dephasing and rephasing for single collective atomic spin excitations (spin waves) created by spontaneous Raman scattering in a quantum memory based on cold 87Rb atoms. The control is provided by a reversible external magnetic field gradient inducing an inhomogeneous broadening of the atomic hyperfine levels. We demonstrate experimentally that active rephasing preserves the single photon nature of the retrieved photons. Finally, we show that the control of the inhomogeneous dephasing enables the creation of time-separated spin waves in a single ensemble followed by a selective read-out in time. This is an important step towards the implementation of a functional temporally multiplexed quantum repeater node. PMID:26550854

  9. New formulation of Magnetization Equation for Flowing Nuclear Spin under NMR/MRI Excitation(I)

    NASA Astrophysics Data System (ADS)

    de, Dilip; Emetere, Moses; Omotosho, Victor

    2015-03-01

    We have obtained for the first time from the Bloch NMR equations the correct dependence of the single component of magnetization, My and Mz at resonance (NMR/MRI) on relaxation times, rf B1 field (pulsed or continuous), blood(nuclear spin) flow velocity, etc. in the rotating frame of reference. The equations are applicable for both CW and pulsed NMR experiments with or without flow of spins. Our approaches can be extended easily to include gradient fields and diffusion of spins, if needed in NMR/MRI experiments. We also discuss the application of our equations to a specific case of MR excitation scheme: Free induction decay. The first time new equations of single component of MR magnetization and further equations that can be derived with the methodologies used here, can be applied towards accurate simulation of MR images/signals and extraction of parameters of clinical importance through comparison of the measured and the simulated images/signals.

  10. Magnetic structure and spin excitations in BaMn2Bi2

    DOE PAGESBeta

    Calder, Stuart A.; Saparov, Bayrammurad I; Cao, H. B.; Niedziela, Jennifer L.; Lumsden, Mark D.; Sefat, Athena Safa; Christianson, Andrew D.

    2014-02-19

    We present a single crystal neutron scattering study of BaMn2Bi2, a recently synthesized material with the same ThCr2Si2type structure found in several Fe-based unconventional superconducting materials. We show long range magnetic order, in the form of a G-type antiferromagnetic structure, to exist up to 390 K with an indication of a structural transition at 100 K. Utilizing inelastic neutron scattering we observe a spin-gap of 16 meV, with spin-waves extending up to 55 meV. We find these magnetic excitations are well fit to a J1-J2-Jc Heisenberg model and present values for the exchange interactions. The spin wave spectrum appears tomore » be unchanged by the 100 K structural phase transition.« less

  11. High-Speed Magic-Angle Spinning 13C MAS NMR Spectra of Adamantane: Self-Decoupling of the Heteronuclear Scalar Interaction and Proton Spin Diffusion

    NASA Astrophysics Data System (ADS)

    Ernst, Matthias; Verhoeven, Aswin; Meier, Beat H.

    1998-02-01

    We have investigated the carbon line shape of solid adamantane under high-speed magic-angle sample spinning (MAS) acquired without proton decoupling. The CH-group shows a spinning-speed-dependent line broadening while the CH2-group consists of a spinning-speed-independent sharp component and a spinning-speed-dependent broader part. These phenomena can be explained by self-decoupling of theJ-interaction due to proton spin diffusion. Such a self-decoupling process can be described by a magnetization exchange process between the multiplet lines. Changing the spin-diffusion rate constant by off-resonance irradiation of the protons allows us to observe the full range from slow exchange to coalescence to fast exchange of the carbon spectra. One of the multiplet components in the CH2-group corresponds to a group spin of the protons of zero and therefore does not couple to the other protons. This gives rise to the sharp central line. The magnetization exchange rate constant between the different multiplet lines can be determined from the spectra and is a measure for the spinning-speed-dependent proton spin-diffusion rate constant. Even at an MAS speed of 30 kHz, proton spin diffusion is still observable despite the relatively weak intermolecular proton dipolar-coupling network in adamantane which results in a static proton line width of only 14 kHz (full width at half height).

  12. Measurements of magnetic spin excitations in Permalloy microstructures using nitrogen-vacancy magnetometry

    NASA Astrophysics Data System (ADS)

    Liu, H. J. Jason; Yoon, Seungha; McMichael, Robert

    The magnetic properties of nitrogen-vacancy (NV) centers in diamond have enabled emerging applications in fields ranging from cell biology to quantum computing. An NV center is a lattice defect, which behaves like a spin-1 system. NV centers can be prepared in the mz = 0 state by excitation with green light, and the spin state can be detected by the center's fluorescence of red light. The Zeeman splitting of the mz = +/-1 state, combined with a spin coherence time that can approach 1 ms, makes the NV center a sensitive, atom-sized magnetometer. Recently, NV centers have been used to measure spin wave excitations and vortex core dynamics in a Permalloy microdisk. In this talk, we present current NV center measurements on Permalloy micro and nanostructures that build on previous work. Permalloy structures were fabricated on top of a microstrip antenna and the measurements were conducted on a home-built confocal microscope. Preliminary measurements show photoluminescence contrast of ~12% and field detectivity on the order of µT/Hz1/2. This allows for fine field mapping of stray magnetic fields produced by micro and nanostructures, which are typically a few milliteslas in magnitude. Maryland Nanocenter, University of Maryland.

  13. Spin wave excitations in low-energy electron scattering off Fe surfaces

    NASA Astrophysics Data System (ADS)

    Vernoy, Michael; Hopster, Herbert

    2002-03-01

    For the last two decades, SPEELS has been instrumental in the investigation of Stoner excitations in ferromagnets. By analyzing the spin of both the scattered electron beam and the incident beam, so called “complete” experiments were performed [1,2]. By eliminating the spin analysis of the scattered beam it has become possible to examine short wavelength spin wave excitations [3]. We constructed a 127 degree cylindrical deflector spectrometer with an analyzer rotatable to 70 degrees. The polarized electron beam is produced by a negative electron affinity GaAs photocathode. Initial data were taken with a primary beam energy of 20 V at a resolution of 50 meV FWHM on thick Fe/GaAs films. Spin asymmetries show the Stoner continuum as noted in the previous complete experiments as well as an additional feature in the 100-300 meV energy loss region. Angle dependent data will be presented. [1] J. Kirschner, Phys. Rev. Lett. 55, 973 (1985). [2] D. L. Abraham and H. Hopster, Phys. Rev. Lett. 59, 2333 (1987). [3] M. Plihal, D. L. Mills, and J. Kirschner, Phys. Rev. Lett. 82, 2579 (1999).

  14. A comparative theoretical study on core-hole excitation spectra of azafullerene and its derivatives.

    PubMed

    Deng, Yunfeng; Gao, Bin; Deng, Mingsen; Luo, Yi

    2014-03-28

    The core-hole excitation spectra-near-edge x-ray absorption spectroscopy (NEXAFS), x-ray emission spectroscopy (XES), and x-ray photoelectron spectroscopy (XPS) shake-up satellites have been simulated at the level of density functional theory for the azafullerene C59N and its derivatives (C59N)(+), C59HN, (C59N)2, and C59N-C60, in which the XPS shake-up satellites were simulated using our developed equivalent core hole Kohn-Sham (ECH-KS) density functional theory approach [B. Gao, Z. Wu, and Y. Luo, J. Chem. Phys. 128, 234704 (2008)] which aims for the study of XPS shake-up satellites of large-scale molecules. Our calculated spectra are generally in good agreement with available experimental results that validates the use of the ECH-KS method in the present work. The nitrogen K-edge NEXAFS, XES, and XPS shake-up satellites spectra in general can be used as fingerprints to distinguish the azafullerene C59N and its different derivatives. Meanwhile, different carbon K-edge spectra could also provide detailed information of (local) electronic structures of different molecules. In particular, a peak (at around 284.5 eV) in the carbon K-edge NEXAFS spectrum of the heterodimer C59N-C60 is confirmed to be related to the electron transfer from the C59N part to the C60 part in this charge-transfer complex. PMID:24697438

  15. Excited state dipole moments of chloroanilines and chlorophenols from solvatochromic shifts in electronic absorption spectra: Support for the concept of excited state group moments

    NASA Astrophysics Data System (ADS)

    Prabhumirashi, L. S.; Satpute, R. S.

    The dipole moments of isomeric o-, m- and p-chloroanilines and chlorophenols in electronically excited L a and L b states are estimated from solvent induced polarization shifts in electronic absorption spectra. It is observed that μ e( L a) > μ e( L b) > μ g, which is consistent with the general theory of polarization red shift. The μ es are found to be approximately co-linear with the corresponding μ gs. The concept of group moments is extended to aromatic molecules in excited states. This approach is found to be useful in understanding correlations among the excited states of mono- and disubstituted benzenes.

  16. Modeling EPR powder spectra using numerical diagonalization of the spin hamiltonian

    PubMed

    Morin; Bonnin

    1999-02-01

    A new modeling code, ZFSFIT (standing for Zero Field Splitting FITting), written in FORTRAN 77 is proposed. It is designed for computing and fitting EPR powder spectra described by any spin Hamiltonian including second- and fourth-order ZFS terms (S spin Hamiltonian, this code computes the powder spectrum, the calculated angular dependencies, and the energy levels at any orientation. Least-squares refinement of the spin Hamiltonian parameters is performed either by adjusting powder line positions (EPRPLP module) or by directly fitting the powder spectra (ZFSFIT code). Especially, simultaneous fitting of EPR powder line positions recorded at distinct frequencies improves the accuracy of the refined EPR parameters. Superhyperfine effects as well as broadening effects due to site-to-site distribution of g-, A-, and ZFS parameters are treated using first-order perturbation theory and can also be refined. Parameters for several distinct centers can be fitted simultaneously, allowing quantification of their relative amounts in the sample. After a description of the algorithm, determination of second- and fourth-order ZFS parameters of Cr3+, Mn2+, and Fe3+ centers in low-symmetry sites in minerals are treated, including first evidence of structural Fe3+ centers in alphaAl(OH)3. The code is available without charge to academic users from the authors. Copyright 1999 Academic Press. PMID:9986760

  17. Spin Correlations and Excitations in the Quasi-2D Triangular Bilayer Spin Glass LuCoGaO4

    NASA Astrophysics Data System (ADS)

    Fritsch, K.; Granroth, G. E.; Savici, A. T.; Noad, H. M. L.; Dabkowska, H. A.; Gaulin, B. D.

    2012-02-01

    LuCoGaO4 is a layered magnetic-bilayer material wherein Co2+ magnetic moments and nonmagnetic Ga3+ ions are randomly distributed on planar triangular bilayers. This makes it an ideal case to study the interplay between geometric frustration, site disorder and low dimensionality and its influence on the magnetic ground of the system. This novel material has been grown for the first time in single crystal form at McMaster University. We have performed magnetization measurements, revealing a previously identified spin glass transition near Tf˜19K, and a Curie Weiss temperature of Tcw˜-96K, consistent with antiferromagnetic interactions[1]. We discuss time-of-flight neutron scattering measurements using SEQUOIA at SNS which elucidate the evolution of the static and dynamic spin correlations in LuCoGaO4 over a range of temperatures from T<< Tf to T>Tcw. We observe quasielastic scattering at (1/3,1/3,L) positions in reciprocal space and rods of scattering along the c*-direction, consistent with short range antiferromagnetic correlations within decoupled bilayers, and which comfirm the 2-dimensional character of this system. Inelastic scattering measurements show a gapped ˜ 12 meV spin excitation which softens and broadens in energy, filling in the gap on a temperature scale of ˜ Tcw/2. [1] Cava et al., J. Solid State Chem. 140, 337 (1998).

  18. Spin orbit coupling induced splitting in excitations of high mobility 2DESs

    NASA Astrophysics Data System (ADS)

    Rigosi, Albert F.; Wurstbauer, Ursula; Pinczuk, Aron; Watson, John; Mondal, Sumit; Manfra, Michael J.; West, Ken W.; Pfeiffer, Loren N.

    2012-02-01

    Spin orbit interaction (SOI) induces a splitting of the conduction bands in two-dimensional electron systems (2DES) in GaAs. We study the impact of zero-field spin-splitting on excitations of ultra high mobility 2DESs by resonant inelastic light scattering experiments. To distinguish between splitting caused by bulk inversion asymmetry (Dresselhaus) and structure inversion asymmetry (Rashba), we studied symmetric (two-side modulation doped) and asymmetric (single-side modulation doped) quantum wells grown along (001) and (110) crystallographic directions. We probe the excitation modes as a function of transferred momentum for different crystallographic directions in the plane of the QW. At large wave vectors we find a complex splitting of the single-particle intersubband excitation mode that is strongly dependent on the combination of Dresselhaus and Rashba SOI. The observed mode splitting is a result of effective SOI fields in both, ground and first excited subband. Suitable choices of crystallographic orientations yield Dresselhaus and Rashba terms.

  19. A Magnetic Suspension and Excitation System for Spin Vibration Testing of Turbomachinery Blades

    NASA Technical Reports Server (NTRS)

    Johnson, Dexter; Brown, Gerald V.; Mehmed, Oral

    1998-01-01

    The Dynamic Spin Rig (DSR) is used to perform vibration tests of turbomachinery blades and components under spinning conditions in a vacuum. A heteropolar radial active magnetic bearing was integrated into the DSR to provide non-contact magnetic suspension and mechanical excitation of the rotor to induce turbomachinery blade vibrations. The magnetic bearing replaces one of the two existing conventional radial ball bearings. Prior operation of the DSR used two voice-coil type linear electromagnetic shakers which provided axial excitation of the rotor. The new magnetic suspension and excitation system has provided enhanced testing capabilities. Tests were performed at high rotational speeds for longer duration and higher vibration amplitudes. Some characteristics of the system include magnetic bearing stiffness values up to 60,000 lb./in., closed loop control bandwidth around 500 Hz, and multi-directional radial excitation of the rotor. This paper reports on the implementation and operation of this system and presents some test results using this system.

  20. A Bloch equation approach to intensity dependent optical spectra of light harvesting complex II: excitation dependence of light harvesting complex II pump-probe spectra.

    PubMed

    Richter, Marten; Renger, Thomas; Knorr, Andreas

    2008-01-01

    On the basis of the recent progress in the resolution of the structure of the antenna light harvesting complex II (LHC II) of the photosystem II, we propose a microscopically motivated theory to predict excitation intensity-dependent spectra. We show that optical Bloch equations provide the means to include all 2( N ) excited states of an oligomer complex of N coupled two-level systems and analyze the effects of Pauli Blocking and exciton-exciton annihilation on pump-probe spectra. We use LHC Bloch equations for 14 Coulomb coupled two-level systems, which describe the S (0) and S (1) level of every chlorophyll molecule. All parameter introduced into the Hamiltonian are based on microscopic structure and a quantum chemical model. The derived Bloch equations describe not only linear absorption but also the intensity dependence of optical spectra in a regime where the interplay of Pauli Blocking effects as well as exciton-exciton annihilation effects are important. As an example, pump-probe spectra are discussed. The observed saturation of the spectra for high intensities can be viewed as a relaxation channel blockade on short time scales due to Pauli blocking. The theoretical investigation is useful for the interpretation of the experimental data, if the experimental conditions exceed the low intensity pump limit and effects like strong Pauli Blocking and exciton-exciton annihilation need to be considered. These effects become important when multiple excitations are generated by the pump pulse in the complex. PMID:17924202

  1. Neutron scattering studies of spin excitations in superconducting Rb0.82Fe1.68Se2

    SciTech Connect

    Wang, Miaoyin; Li, Chunhong; Abernathy, Douglas L; Song, Yu; Carr, Scott V.; Lu, Xiangye; Li, Shiliang; Yamari, Zahra; Hu, Jiangping; Xiang, Tao; Dai, Pengcheng

    2012-01-01

    We use inelastic neutron scattering to show that superconducting (SC) rubidium iron selenide Rb0.82Fe1.68Se2 exhibits antiferromagnetic (AF) spin excitations near the in-plane wave vector Q = ( ,0) identical to that for iron arsenide superconductors. Moreover, we find that these excitations change from incommensurate to commensurate with increasing energy and occur at the expense of spin waves associated with the coexisting 5 5 block AF phase. Since these spin excitations cannot come from Fermi surface nesting based on angle resolved photoemission experiments, our results indicate the presence of local moments in SC Rb0.82Fe1.68Se2 that may have a similar origin as the hourglass-like spin excitations in copper oxide superconductors.

  2. Spin contamination-free N-electron wave functions in the excitation-based configuration interaction treatment

    NASA Astrophysics Data System (ADS)

    Alcoba, Diego R.; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E.; Oña, Ofelia B.; Capuzzi, Pablo

    2016-07-01

    This work deals with the spin contamination in N-electron wave functions provided by the excitation-based configuration interaction methods. We propose a procedure to ensure a suitable selection of excited N-electron Slater determinants with respect to a given reference determinant, required in these schemes. The procedure guarantees the construction of N-electron wave functions which are eigenfunctions of the spin-squared operator S ˆ 2 , avoiding any spin contamination. Our treatment is based on the evaluation of the excitation level of the determinants by means of the expectation value of an excitation operator formulated in terms of spin-free replacement operators. We report numerical determinations of energies and < S ˆ 2 > expectation values, arising from our proposal as well as from traditional configuration interaction methods, in selected open-shell systems, in order to compare the behavior of these procedures and their computational costs.

  3. Spin contamination-free N-electron wave functions in the excitation-based configuration interaction treatment.

    PubMed

    Alcoba, Diego R; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E; Oña, Ofelia B; Capuzzi, Pablo

    2016-07-01

    This work deals with the spin contamination in N-electron wave functions provided by the excitation-based configuration interaction methods. We propose a procedure to ensure a suitable selection of excited N-electron Slater determinants with respect to a given reference determinant, required in these schemes. The procedure guarantees the construction of N-electron wave functions which are eigenfunctions of the spin-squared operator Sˆ(2), avoiding any spin contamination. Our treatment is based on the evaluation of the excitation level of the determinants by means of the expectation value of an excitation operator formulated in terms of spin-free replacement operators. We report numerical determinations of energies and 〈Sˆ(2)〉 expectation values, arising from our proposal as well as from traditional configuration interaction methods, in selected open-shell systems, in order to compare the behavior of these procedures and their computational costs. PMID:27394101

  4. Early excitation of spin-orbit misalignments in close-in planetary systems

    SciTech Connect

    Spalding, Christopher; Batygin, Konstantin

    2014-07-20

    Continued observational characterization of transiting planets that reside in close proximity to their host stars has shown that a substantial fraction of such objects possess orbits that are inclined with respect to the spin axes of their stars. Mounting evidence for the wide-spread nature of this phenomenon has challenged the conventional notion that large-scale orbital transport occurs during the early epochs of planet formation and is accomplished via planet-disk interactions. However, recent work has shown that the excitation of spin-orbit misalignment between protoplanetary nebulae and their host stars can naturally arise from gravitational perturbations in multi-stellar systems as well as magnetic disk-star coupling. In this work, we examine these processes in tandem. We begin with a thorough exploration of the gravitationally facilitated acquisition of spin-orbit misalignment and analytically show that the entire possible range of misalignments can be trivially reproduced. Moreover, we demonstrate that the observable spin-orbit misalignment only depends on the primordial disk-binary orbit inclination. Subsequently, we augment our treatment by accounting for magnetic torques and show that more exotic dynamical evolution is possible, provided favorable conditions for magnetic tilting. Cumulatively, our results suggest that observed spin-orbit misalignments are fully consistent with disk-driven migration as a dominant mechanism for the origin of close-in planets.

  5. Fluorescence Excitation-Emission Matrix Regional Integration to Quantify Spectra for Dissolved Organic Matter

    USGS Publications Warehouse

    Chen, W.; Westerhoff, P.; Leenheer, J.A.; Booksh, K.

    2003-01-01

    Excitation-emission matrix (EEM) fluorescence spectroscopy has been widely used to characterize dissolved organic matter (DOM) in water and soil. However, interpreting the >10,000 wavelength-dependent fluorescence intensity data points represented in EEMs has posed a significant challenge. Fluorescence regional integration, a quantitative technique that integrates the volume beneath an EEM, was developed to analyze EEMs. EEMs were delineated into five excitation-emission regions based on fluorescence of model compounds, DOM fractions, and marine waters or freshwaters. Volumetric integration under the EEM within each region, normalized to the projected excitation-emission area within that region and dissolved organic carbon concentration, resulted in a normalized region-specific EEM volume (??i,n). Solid-state carbon nuclear magnetic resonance (13C NMR), Fourier transform infrared (FTIR) analysis, ultraviolet-visible absorption spectra, and EEMs were obtained for standard Suwannee River fulvic acid and 15 hydrophobic or hydrophilic acid, neutral, and base DOM fractions plus nonfractionated DOM from wastewater effluents and rivers in the southwestern United States. DOM fractions fluoresced in one or more EEM regions. The highest cumulative EEM volume (??T,n = ????i,n) was observed for hydrophobic neutral DOM fractions, followed by lower ??T,n values for hydrophobic acid, base, and hydrophilic acid DOM fractions, respectively. An extracted wastewater biomass DOM sample contained aromatic protein- and humic-like material and was characteristic of bacterial-soluble microbial products. Aromatic carbon and the presence of specific aromatic compounds (as indicated by solid-state 13C NMR and FTIR data) resulted in EEMs that aided in differentiating wastewater effluent DOM from drinking water DOM.

  6. Spin-flip resolution achieved with a one-proton self-excited oscillator

    NASA Astrophysics Data System (ADS)

    Guise, Nicholas Damien Sun-Wo

    In a Penning trap with an extremely large magnetic gradient, the axial frequency of a one-proton self-excited oscillator is resolved at the level of the shift from a proton spin flip. This sensitivity opens a possible path towards detection of single-proton spin flips, novel measurements of the proton and antiproton g-factors, and a stringent test of CPT invariance by comparing proton and antiproton magnetic moments at precision likely to be a million times higher than achieved to date. The central challenge of extending similar electron magnetic moment measurements to one proton is overcoming the substantially larger mass and weaker magnetic moment, which conspire to greatly reduce the frequency shift that signals a spin flip. Within a magnetic bottle gradient 50 times larger than used in the recent electron g-factor measurements, the proton spin-flip shift is still only 60 mHz out of a 553 kHz axial frequency. In such a large gradient, standard application of sideband cooling to reduce the magnetron radius changes the axial frequency by an amount greater than this spin-flip shift on average. Proton axial frequency resolution at the 60 mHz level is enabled by feedback techniques realized previously only with one electron. Self-excitation produces a narrow feature with large signal-to-noise, ideal for rapid frequency measurements at high precision. Unwanted effects of the strong magnetic gradient are minimized by axial and radial cooling. Feedback cooling is used to reduce the proton axial motion below the temperature of a damping resistor. Axial-magnetron sideband cooling of the undamped radial motion is then demonstrated to reach a 14 mK theoretical limit.

  7. Orbital Selective Spin Excitations and their Impact on Superconductivity of LiFe1 -xCoxAs

    NASA Astrophysics Data System (ADS)

    Li, Yu; Yin, Zhiping; Wang, Xiancheng; Tam, David W.; Abernathy, D. L.; Podlesnyak, A.; Zhang, Chenglin; Wang, Meng; Xing, Lingyi; Jin, Changqing; Haule, Kristjan; Kotliar, Gabriel; Maier, Thomas A.; Dai, Pengcheng

    2016-06-01

    We use neutron scattering to study spin excitations in single crystals of LiFe0.88Co0.12As , which is located near the boundary of the superconducting phase of LiFe1 -xCoxAs and exhibits non-Fermi-liquid behavior indicative of a quantum critical point. By comparing spin excitations of LiFe0.88Co0.12As with a combined density functional theory and dynamical mean field theory calculation, we conclude that wave-vector correlated low energy spin excitations are mostly from the dx y orbitals, while high-energy spin excitations arise from the dy z and dx z orbitals. Unlike most iron pnictides, the strong orbital selective spin excitations in the LiFeAs family cannot be described by an anisotropic Heisenberg Hamiltonian. While the evolution of low-energy spin excitations of LiFe1 -xCoxAs is consistent with the electron-hole Fermi surface nesting conditions for the dx y orbital, the reduced superconductivity in LiFe0.88Co0.12As suggests that Fermi surface nesting conditions for the dy z and dx z orbitals are also important for superconductivity in iron pnictides.

  8. Orbital Selective Spin Excitations and their Impact on Superconductivity of LiFe_{1-x}Co_{x}As.

    PubMed

    Li, Yu; Yin, Zhiping; Wang, Xiancheng; Tam, David W; Abernathy, D L; Podlesnyak, A; Zhang, Chenglin; Wang, Meng; Xing, Lingyi; Jin, Changqing; Haule, Kristjan; Kotliar, Gabriel; Maier, Thomas A; Dai, Pengcheng

    2016-06-17

    We use neutron scattering to study spin excitations in single crystals of LiFe_{0.88}Co_{0.12}As, which is located near the boundary of the superconducting phase of LiFe_{1-x}Co_{x}As and exhibits non-Fermi-liquid behavior indicative of a quantum critical point. By comparing spin excitations of LiFe_{0.88}Co_{0.12}As with a combined density functional theory and dynamical mean field theory calculation, we conclude that wave-vector correlated low energy spin excitations are mostly from the d_{xy} orbitals, while high-energy spin excitations arise from the d_{yz} and d_{xz} orbitals. Unlike most iron pnictides, the strong orbital selective spin excitations in the LiFeAs family cannot be described by an anisotropic Heisenberg Hamiltonian. While the evolution of low-energy spin excitations of LiFe_{1-x}Co_{x}As is consistent with the electron-hole Fermi surface nesting conditions for the d_{xy} orbital, the reduced superconductivity in LiFe_{0.88}Co_{0.12}As suggests that Fermi surface nesting conditions for the d_{yz} and d_{xz} orbitals are also important for superconductivity in iron pnictides. PMID:27367401

  9. A comparative theoretical study on core-hole excitation spectra of azafullerene and its derivatives

    SciTech Connect

    Deng, Yunfeng; Gao, Bin; Deng, Mingsen; Luo, Yi

    2014-03-28

    The core-hole excitation spectra—near-edge x-ray absorption spectroscopy (NEXAFS), x-ray emission spectroscopy (XES), and x-ray photoelectron spectroscopy (XPS) shake-up satellites have been simulated at the level of density functional theory for the azafullerene C{sub 59}N and its derivatives (C{sub 59}N){sup +}, C{sub 59}HN, (C{sub 59}N){sub 2}, and C{sub 59}N–C{sub 60}, in which the XPS shake-up satellites were simulated using our developed equivalent core hole Kohn-Sham (ECH-KS) density functional theory approach [B. Gao, Z. Wu, and Y. Luo, J. Chem. Phys. 128, 234704 (2008)] which aims for the study of XPS shake-up satellites of large-scale molecules. Our calculated spectra are generally in good agreement with available experimental results that validates the use of the ECH-KS method in the present work. The nitrogen K-edge NEXAFS, XES, and XPS shake-up satellites spectra in general can be used as fingerprints to distinguish the azafullerene C{sub 59}N and its different derivatives. Meanwhile, different carbon K-edge spectra could also provide detailed information of (local) electronic structures of different molecules. In particular, a peak (at around 284.5 eV) in the carbon K-edge NEXAFS spectrum of the heterodimer C{sub 59}N–C{sub 60} is confirmed to be related to the electron transfer from the C{sub 59}N part to the C{sub 60} part in this charge-transfer complex.

  10. Quantum Monte Carlo studies of Shannon-Renyi entropies and participation spectra in interacting spin systems

    NASA Astrophysics Data System (ADS)

    Luitz, David J.; Alet, Fabien; Laflorencie, Nicolas

    2014-03-01

    Shannon-Renyi entropies are measures of the participation of basis states in a wave function. Previous work for one dimensional systems showed that they exhibit a subleading scaling behavior with system size that contains universal information, such as e.g. the Luttinger Liquid parameter. Here, we introduce quantum Monte Carlo schemes to calculate these quantities and the related participation spectra for unfrustrated quantum many body systems in any dimension and apply them to interacting spin systems. Our results demonstrate the universality of subleading scaling terms for different kinds of phase transitions with a spontaneous breaking of discrete or continuous symmetries and at quantum critical points. Aditionally, we also discuss the signature of quantum phase transitions in the participation spectra of subsystems.

  11. Fluorescence excitation and ultraviolet absorption spectra and theoretical calculations for benzocyclobutane: Vibrations and structure of its excited S{sub 1}(π,π{sup *}) electronic state

    SciTech Connect

    Shin, Hee Won; Ocola, Esther J.; Laane, Jaan; Kim, Sunghwan

    2014-01-21

    The fluorescence excitation spectra of jet-cooled benzocyclobutane have been recorded and together with its ultraviolet absorption spectra have been used to assign the vibrational frequencies for this molecule in its S{sub 1}(π,π{sup *}) electronic excited state. Theoretical calculations at the CASSCF(6,6)/aug-cc-pVTZ level of theory were carried out to compute the structure of the molecule in its excited state. The calculated structure was compared to that of the molecule in its electronic ground state as well as to the structures of related molecules in their S{sub 0} and S{sub 1}(π,π{sup *}) electronic states. In each case the decreased π bonding in the electronic excited states results in longer carbon-carbon bonds in the benzene ring. The skeletal vibrational frequencies in the electronic excited state were readily assigned and these were compared to the ground state and to the frequencies of five similar molecules. The vibrational levels in both S{sub 0} and S{sub 1}(π,π{sup *}) states were remarkably harmonic in contrast to the other bicyclic molecules. The decreases in the frequencies of the out-of-plane skeletal modes reflect the increased floppiness of these bicyclic molecules in their S{sub 1}(π,π{sup *}) excited state.

  12. Origin of longitudinal spin excitations in iron-pnictide parent compounds

    NASA Astrophysics Data System (ADS)

    Fidrysiak, Maciej

    2016-02-01

    We investigate longitudinal spin excitations (LSEs) as a probe of microscopic origin of magnetic ordering in parent pnictides BaFe2As2 and NaFeAs. Currently adopted interpretation of LSEs as bottom of particle-hole continuum points unambiguously toward itinerant-electron magnetism, but is difficult to reconcile with available optical measurements. We study the possibility that the LSEs originate from multi-magnon processes which are not energetically constrained by optical spectroscopy and do not sharply distinguish between local-moment and itinerant scenarios. Two mechanisms, capable of enhancing multi-magnon continuum to the level indicated by neutron scattering experiments, are proposed. The first emphasizes itinerant electrons and is based on electronic transitions between magnetically split bands, while the other relies on purely spin fluctuations close to a magnetic quantum phase transition. Electronic excitations enhance multi-magnon contribution to LSEs for small Fermi surface taking part in the SDW instability, but are insufficient to account for measured intensities. The correct order of LSEs, on the other hand, can be reproduced by the spin fluctuation mechanism for a reasonable set of parameters.

  13. Progress in Neutron Scattering Studies of Spin Excitations in High-T(c) Cuprates

    SciTech Connect

    Fujita M.; Tranquada J.; Hiraka, H.; Matsuda, M.; Matsuura, M.; Wakimoto, S.; Xu, G.; Yamada, K.

    2012-01-01

    Neutron scattering experiments continue to improve our knowledge of spin fluctuations in layered cuprates, excitations that are symptomatic of the electronic correlations underlying high-temperature superconductivity. Time-of-flight spectrometers, together with new and varied single crystal samples, have provided a more complete characterization of the magnetic energy spectrum and its variation with carrier concentration. While the spin excitations appear anomalous in comparison with simple model systems, there is clear consistency among a variety of cuprate families. Focusing initially on hole-doped systems, we review the nature of the magnetic spectrum, and variations in magnetic spectral weight with doping. We consider connections with the phenomena of charge and spin stripe order, and the potential generality of such correlations as suggested by studies of magnetic-field and impurity induced order. We contrast the behavior of the hole-doped systems with the trends found in the electron-doped superconductors. Returning to hole-doped cuprates, studies of translation-symmetry-preserving magnetic order are discussed, along with efforts to explore new systems. We conclude with a discussion of future challenges.

  14. Controlling electronic access to the spin excitations of a single molecule in a tunnel junction

    NASA Astrophysics Data System (ADS)

    Hirjibehedin, Cyrus F.; Warner, Ben; El Hallak, Fadi; Prueser, Henning; Ajibade, Afolabi; Gill, Tobias G.; Fisher, Andrew J.; Persson, Mats

    Spintronic phenomena can be utilized to create new devices with applications in data storage and sensing. Scaling these down to the single molecule level requires controlling the properties of the current-carrying orbitals to enable access to spin states through phenomena such as inelastic electron tunneling. Here we show that the spintronic properties of a tunnel junction containing a single molecule can be controlled by their coupling to the local environment. For tunneling through iron phthalocyanine (FePc) on an insulating copper nitride (Cu2N) monolayer above Cu(001), we find that spin transitions may be strongly excited depending on the binding site of the central Fe atom. Different interactions between the Fe and the underlying Cu or N atoms shift the Fe d-orbitals with respect to the Fermi energy, and control the relative strength of the spin excitations, an effect that can described in a simple co-tunneling model. This work demonstrates the importance of the atomic-scale environment in the development of single molecule spintronic devices.

  15. Modeling Spin Fluctuations and Magnetic Excitations from Time-Dependent Density Functional Theory

    NASA Astrophysics Data System (ADS)

    Gorni, Tommaso; Timrov, Iurii; Dal Corso, Andrea; Baroni, Stefano

    Harnessing spin fluctuations and magnetic excitations in materials is key in many fields of technology, spanning from memory devices to information transfer and processing, to name but a few. A proper understanding of the interplay between collective and single-particle spin excitations is still lacking, and it is expected that first-principle simulations based on TDDFT may shed light on this interplay, as well as on the role of important effects such as relativistic ones and related magnetic anisotropies. All the numerical approaches proposed so far to tackle this problem are based on the computationally demanding solution of the Sternheimer equations for the response orbitals or the even more demanding solution of coupled Dyson equations for the spin and charge susceptibilities. The Liouville-Lanczos approach to TDDFT has already proven to be a valuable alternative, the most striking of its features being the avoidance of sums over unoccupied single-particle states and the frequency-independence of the main numerical bottleneck. In this work we present an extension of this methodology to magnetic systems and its implementation in the Quantum ESPRESSO distribution, together with a few preliminary results on the magnon dispersions in bulk Fe.

  16. Excitation and detection of propagating spin waves at the single magnon level.

    NASA Astrophysics Data System (ADS)

    Karenowska, Alexy; Patterson, Andrew; Peterer, Michael; Magnússon, Einar; Leek, Peter

    2015-03-01

    The fields of spin-wave dynamics and magnonics have made substantial contributions to our understanding of fundamental magnetism, and are increasingly widely acknowledged to be areas of solid-state physics with significant technological potential. To date however, experimental activity has focused on the study and possible application of room-temperature systems operating within classical limits. Here, we report a series of experiments in which we demonstrate, for the first time, the excitation and detection of propagating spin waves at the single magnon level. Our results, which have been obtained at cryogenic temperatures using an yttrium iron garnet spin-wave waveguide, serve as evidence that the experimental tools now exist to permit us to create microwave (i.e. GHz frequency) quantum circuits incorporating dispersive magnon systems. This allows us to anticipate the possibility both of exploring quantum aspects of magnon physics with new experimental clarity, and of examining how this physics -- in particular, the magnon's highly tunable dispersion, its readily accessible nonlinearity, and its capacity to couple to optical excitations and electron-based spintronic systems -- might have a role to play in new microwave quantum technologies.

  17. Alignment of high resolution magic angle spinning magnetic resonance spectra using warping methods.

    PubMed

    Giskeødegård, Guro F; Bloemberg, Tom G; Postma, Geert; Sitter, Beathe; Tessem, May-Britt; Gribbestad, Ingrid S; Bathen, Tone F; Buydens, Lutgarde M C

    2010-12-17

    The peaks of magnetic resonance (MR) spectra can be shifted due to variations in physiological and experimental conditions, and correcting for misaligned peaks is an important part of data processing prior to multivariate analysis. In this paper, five warping algorithms (icoshift, COW, fastpa, VPdtw and PTW) are compared for their feasibility in aligning spectral peaks in three sets of high resolution magic angle spinning (HR-MAS) MR spectra with different degrees of misalignments, and their merits are discussed. In addition, extraction of information that might be present in the shifts is examined, both for simulated data and the real MR spectra. The generic evaluation methodology employs a number of frequently used quality criteria for evaluation of the alignments, together with PLS-DA to assess the influence of alignment on the classification outcome. Peak alignment greatly improved the internal similarity of the data sets. Especially icoshift and COW seem suitable for aligning HR-MAS MR spectra, possibly because they perform alignment segment-wise. The choice of reference spectrum can influence the alignment result, and it is advisable to test several references. Information from the peak shifts was extracted, and in one case cancer samples were successfully discriminated from normal tissue based on shift information only. Based on these findings, general recommendations for alignment of HR-MAS MRS data are presented. Where possible, observations are generalized to other data types (e.g. chromatographic data). PMID:21094376

  18. Combined near-infrared excited SEHRS and SERS spectra of pH sensors using silver nanostructures.

    PubMed

    Gühlke, Marina; Heiner, Zsuzsanna; Kneipp, Janina

    2015-10-21

    Surface-enhanced hyper-Raman scattering (SEHRS) and surface-enhanced Raman scattering (SERS) of para-mercaptobenzoic acid (pMBA) were studied with an excitation wavelength of 1064 nm, using different silver nanostructures as substrates for both SEHRS and SERS. The spectra acquired for different pH values between pH 2 and pH 12 were compared with SERS data obtained from the identical samples at 532 nm excitation. Comparison of the ratios of the enhancement factors from SEHRS and SERS experiments with those from calculations using plasmonic absorbance spectra suggests that the difference between total surface-enhancement factors of SEHRS and SERS for pMBA is mainly explained by a difference between the electromagnetic contributions for linear and non-linear SERS. SERS and SEHRS spectra obtained at near-infrared (NIR) excitation indicate an overall reduction of enhancement by a factor of 2-3 at very low and very high pH, compared to neutral pH. Our data provide evidence that different molecular vibrations and/or different adsorption species are probed in SERS and SEHRS, and that SEHRS is very sensitive to slight changes in the pMBA-nanostructure interactions. We conclude that the combination of SEHRS and SERS using NIR excitation is more powerful for micro-environmental pH sensing than one-photon spectra excited in the visible range alone. PMID:26377486

  19. Comparative study of resonance Raman and surface-enhanced resonance Raman chlorophyll a spectra using soret and red excitation

    SciTech Connect

    Thomas, L.L.; Kim, Jaeho; Cotton, T.M. )

    1990-12-05

    Surface-enhanced resonance Raman scattering (SERRS) spectra are reported for chlorophyll a adsorbed on a silver electrode at 298 and 77 K with 406.7-, 457.9-, 514.5-, and 647.1-nm excitation. Submerging the electrode in degassed water at 298 K was found to improve the spectral quality by minimizing sample heating and photooxidation. Spectral intensities and peak resolutions were greater at all excitation wavelengths at liquid nitrogen temperature. Most significantly, roughened silver at the low temperature quenched the fluorescence accompanying red excitation and minimized sample photooxidation, resulting in richly detailed SERRS spectra of chlorophyll a. The close correspondence between chlorophyll a resonance Raman (RR) and SERRS spectra suggests that an electromagnetic mechanism is the major source of the surface enhancement, rather than a chemical mechanism (e.g. a charge-transfer complex between chlorophyll a and the metal). The spectral similarities, together with the presence of the MgN{sub 4} vibration band in the SERRS spectra, also provide evidence that structural alterations (e.g. cleavage of ring V or loss of Mg) do not occur in chlorophyll a after adsorption at the electrode surface. A distinctive SERRS spectrum was obtained for each excitation wavelength. Selective excitation within the various electronic transitions can thus be utilized to verify assignments of the vibrational modes of chlorophyll a and to monitor its interactions and photochemical behavior in biomimetic systems.

  20. Eddy-current effects on ferromagnetic resonance: Spin wave excitations and microwave screening effects

    NASA Astrophysics Data System (ADS)

    Flovik, Vegard; Pettersen, Bjørn Holst; Wahlström, Erik

    2016-04-01

    We investigate how controlling induced eddy currents in thin film ferromagnet-normal metal (FM/NM) structures can be used to tailor the local microwave (MW) fields in ferromagnetic resonance (FMR) experiments. The MW fields produced by eddy currents will in general have a relative phase shift with respect to the applied MW field which depends on the sample geometry. The induced fields can thus partially compensate the applied MW field, effectively screening the FM in selected parts of the sample. The highly localized fields produced by eddy currents enable the excitation of spin wave modes with non-zero wave vectors ( k ≠ 0 ), in contrast to the uniform k = 0 mode normally excited in FMR experiments. We find that the orientation of the applied MW field is one of the key parameters controlling the eddy-current effects. The induced currents are maximized when the applied MW field is oriented perpendicular to the sample plane. Increasing the magnitude of the eddy currents results in a stronger induced MW field, enabling a more effective screening of the applied MW field as well as an enhanced excitation of spin wave modes. This investigation underlines that eddy currents can be used to control the magnitude and phase of the local MW fields in thin film structures.

  1. Topological honeycomb magnon Hall effect: A calculation of thermal Hall conductivity of magnetic spin excitations

    NASA Astrophysics Data System (ADS)

    Owerre, S. A.

    2016-07-01

    Quite recently, the magnon Hall effect of spin excitations has been observed experimentally on the kagome and pyrochlore lattices. The thermal Hall conductivity κxy changes sign as a function of magnetic field or temperature on the kagome lattice, and κxy changes sign upon reversing the sign of the magnetic field on the pyrochlore lattice. Motivated by these recent exciting experimental observations, we theoretically propose a simple realization of the magnon Hall effect in a two-band model on the honeycomb lattice. The magnon Hall effect of spin excitations arises in the usual way via the breaking of inversion symmetry of the lattice, however, by a next-nearest-neighbour Dzyaloshinsky-Moriya interaction. We find that κxy has a fixed sign for all parameter regimes considered. These results are in contrast to the Lieb, kagome, and pyrochlore lattices. We further show that the low-temperature dependence on the magnon Hall conductivity follows a T2 law, as opposed to the kagome and pyrochlore lattices. These results suggest an experimental procedure to measure thermal Hall conductivity within a class of 2D honeycomb quantum magnets and ultracold atoms trapped in a honeycomb optical lattice.

  2. Magnetic monopole and string excitations in two-dimensional spin ice

    NASA Astrophysics Data System (ADS)

    Mól, L. A.; Silva, R. L.; Silva, R. C.; Pereira, A. R.; Moura-Melo, W. A.; Costa, B. V.

    2009-09-01

    We study the magnetic excitations of a square lattice spin ice recently produced in an artificial form as an array of nanoscale magnets. Our analysis, based on the dipolar interaction between the nanomagnetic islands, correctly reproduces the ground state observed experimentally. In addition, we find magnetic monopolelike excitations effectively interacting by means of the usual Coulombic plus a linear confining potential, the latter being related to a stringlike excitation binding the monopoles pairs, which indicates that the fractionalization of magnetic dipoles may not be so easy in two dimensions. These findings contrast this material with the three-dimensional analog, where such monopoles experience only the Coulombic interaction. We discuss, however, two entropic effects that affect the monopole interactions. First, the string configurational entropy may lose the string tension and then free magnetic monopoles should also be found in lower dimensional spin ices; second, in contrast to the string configurational entropy, an entropically driven Coulomb force, which increases with temperature, has the opposite effect of confining the magnetic defects.

  3. Visible and near-infrared excitation spectra from the neptunyl ion doped into a uranyl tetrachloride lattice

    NASA Astrophysics Data System (ADS)

    Barker, Beau J.; Berg, John M.; Kozimor, Stosh A.; Wozniak, Nicholas R.; Wilkerson, Marianne P.

    2016-03-01

    Visible and near-infrared illumination induces 5f-5f and ligand-to-metal charge-transfer (LMCT) transitions of the neptunyl tetrachloride anion in polycrystalline Cs2U(Np)O2Cl4, and results in near-infrared luminescence from the second electronically excited state to the ground state. This photoluminescence is used as a detection method to collect excitation spectra throughout the near-infrared and visible regions. The excitation spectra of LMCT transitions in excitation spectra were identified in previous work. Here the measurement and analysis is extended to include both LMCT and intra-5f transitions. The results manifest variation in structural properties of the neptunium-oxo bond among the low-lying electronic states. Vibronic intensity patterns and energy spacings are used to compare bond lengths and vibrational frequencies in the excited states, confirming significant characteristic differences between those excited by 5f-5f transitions from those due to LMCT transitions. Results are compared with recently published RASPT2/SO calculations of [NpO2Cl4]2-.

  4. Spin excitations in a single La2CuO4 layer.

    PubMed

    Dean, M P M; Springell, R S; Monney, C; Zhou, K J; Pereiro, J; Božović, I; Dalla Piazza, B; Rønnow, H M; Morenzoni, E; van den Brink, J; Schmitt, T; Hill, J P

    2012-10-01

    Cuprates and other high-temperature superconductors consist of two-dimensional layers that are crucial to their properties. The dynamics of the quantum spins in these layers lie at the heart of the mystery of the cuprates. In bulk cuprates such as La(2)CuO(4), the presence of a weak coupling between the two-dimensional layers stabilizes a three-dimensional magnetic order up to high temperatures. In a truly two-dimensional system however, thermal spin fluctuations melt long-range order at any finite temperature. Here, we measure the spin response of isolated layers of La(2)CuO(4) that are only one-unit-cell-thick. We show that coherent magnetic excitations, magnons, known from the bulk order, persist even in a single layer of La(2)CuO(4), with no evidence for more complex correlations such as resonating valence bond correlations. These magnons are, therefore, well described by spin-wave theory (SWT). On the other hand, we also observe a high-energy magnetic continuum in the isotropic magnetic response that is not well described by two-magnon SWT, or indeed any existing theories. PMID:22941330

  5. Magnon excitation by spin-polarized direct currents in magnetic nanostructures

    NASA Astrophysics Data System (ADS)

    Rezende, S. M.; de Aguiar, F. M.; Azevedo, A.

    2006-03-01

    The dynamics of the magnetization in a thin ferromagnetic film traversed by a spin-polarized direct current is studied. In such a system, spin waves (magnons) may be critically driven out of equilibrium by an effective spin-injection field that is proportional to the current density. A direct comparison between the predicted critical current and previous experimental results sheds light on the nature of the excited mode. Beyond the threshold, it is assumed that the spin waves are coupled through nonlinear interactions arising from dipolar and surface anisotropy energies. It is shown that the magnon-magnon interactions play two major roles in the dynamics: (i) They govern and put a limit to the growth in the population of the unstable mode from the thermal level, and (ii) directly contribute to the renormalization of the magnon energy, which manifests itself through a shift in the precession frequency of the magnetic moments with varying current intensity. Numerical results are presented in remarkable quantitative agreement with recent experiments in nanometric magnetic multilayers, where microwave oscillations generated by direct currents have been observed in the postthreshold regime.

  6. Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling

    SciTech Connect

    Grell, Gilbert; Bokarev, Sergey I. Kühn, Oliver; Winter, Bernd; Seidel, Robert; Aziz, Emad F.; Aziz, Saadullah G.

    2015-08-21

    X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due to the multi-configurational and spin-mixed nature of the many-electron wave function. Here, the restricted active space self-consistent field method including spin-orbit coupling is used to cope with this challenge and to calculate valence- and core-level photoelectron spectra. The intensities are estimated within the frameworks of the Dyson orbital formalism and the sudden approximation. Thereby, we utilize an efficient computational algorithm that is based on a biorthonormal basis transformation. The approach is applied to the valence photoionization of the gas phase water molecule and to the core ionization spectrum of the [Fe(H{sub 2}O){sub 6}]{sup 2+} complex. The results show good agreement with the experimental data obtained in this work, whereas the sudden approximation demonstrates distinct deviations from experiments.

  7. Resonant inelastic x-ray scattering study of entangled spin-orbital excitations in superconducting PrFeAsO0.7

    NASA Astrophysics Data System (ADS)

    Nomura, T.; Harada, Y.; Niwa, H.; Ishii, K.; Ishikado, M.; Shamoto, S.; Jarrige, I.

    2016-07-01

    Low-energy electron excitation spectra were measured on a single crystal of a typical iron-based superconductor PrFeAsO0.7 using resonant inelastic x-ray scattering (RIXS) at the Fe -L3 edge. Characteristic RIXS features are clearly observed around 0.5, 1-1.5, and 2-3 eV energy losses. These excitations are analyzed microscopically with theoretical calculations using a 22-orbital model derived from first-principles electronic structure calculation. Based on the agreement with the experiment, the RIXS features are assigned to Fe-d orbital excitations which, at low energies, are accompanied by spin flipping and dominated by Fe dy z and dx z orbital characters. Furthermore, our calculations suggest dispersive momentum dependence of the RIXS excitations below 0.5 eV, and predict remarkable splitting and merging of the lower-energy excitations in momentum space. Those excitations, which were not observed in the present experiment, highlight the potential of RIXS with an improved energy resolution to unravel new details of the electronic structure of the iron-based superconductors.

  8. Femtosecond switching of magnetism via strongly correlated spin-charge quantum excitations.

    PubMed

    Li, Tianqi; Patz, Aaron; Mouchliadis, Leonidas; Yan, Jiaqiang; Lograsso, Thomas A; Perakis, Ilias E; Wang, Jigang

    2013-04-01

    The technological demand to push the gigahertz (10(9) hertz) switching speed limit of today's magnetic memory and logic devices into the terahertz (10(12) hertz) regime underlies the entire field of spin-electronics and integrated multi-functional devices. This challenge is met by all-optical magnetic switching based on coherent spin manipulation. By analogy to femtosecond chemistry and photosynthetic dynamics--in which photoproducts of chemical and biochemical reactions can be influenced by creating suitable superpositions of molecular states--femtosecond-laser-excited coherence between electronic states can switch magnetic order by 'suddenly' breaking the delicate balance between competing phases of correlated materials: for example, manganites exhibiting colossal magneto-resistance suitable for applications. Here we show femtosecond (10(-15) seconds) photo-induced switching from antiferromagnetic to ferromagnetic ordering in Pr0.7Ca0.3MnO3, by observing the establishment (within about 120 femtoseconds) of a huge temperature-dependent magnetization with photo-excitation threshold behaviour absent in the optical reflectivity. The development of ferromagnetic correlations during the femtosecond laser pulse reveals an initial quantum coherent regime of magnetism, distinguished from the picosecond (10(-12) seconds) lattice-heating regime characterized by phase separation without threshold behaviour. Our simulations reproduce the nonlinear femtosecond spin generation and underpin fast quantum spin-flip fluctuations correlated with coherent superpositions of electronic states to initiate local ferromagnetic correlations. These results merge two fields, femtosecond magnetism in metals and band insulators, and non-equilibrium phase transitions of strongly correlated electrons, in which local interactions exceeding the kinetic energy produce a complex balance of competing orders. PMID:23552945

  9. Possible observation of photon excitations in the quantum spin-ice Pr2Zr2O7

    NASA Astrophysics Data System (ADS)

    Tokiwa, Yoshifumi; Yamashita, Takuya; Terazawa, Daiki; Terashima, Takahito; Kimura, Kenta; Halim, Mario; Nakatsuji, Satoru; Matsuda, Yuji

    It has been theoretically shown that the ground state of spin-ice system with quantum fluctuations can be quantum spin liquid, where new elementary excitations, photon, emerge. In the rare-earth pyrochlore, Pr2Zr2O7, which contains spin-ice correlations with significant quantum fluctuations, the absence of magnetic ordering even at very low temperature suggests formation of quantum spin liquid state. In order to examine the emergence of new exotic excitations, we have performed low-temperature thermal conductivity (κ) measurements of Pr2Zr2O7. Interestingly, our data of κ/T shows a steep increase with decreasing temperature below 0.2K. Since the monopole density is negligibly small at such low temperature, the steep increase possibly indicates emergence of new elementary excitations. Anomalous magnetic-field dependence of κ/T observed below 0.2K further supports this possibility.

  10. Importance of cross-correlated relaxation in the spectra of simple organofluorine compounds: Spectral complexity of A3B3X spin systems compared to ABX spin systems

    NASA Astrophysics Data System (ADS)

    Alemany, Lawrence B.; Malloy, Thomas B.; Nunes, Megan M.; Zaibaq, Nicholas G.

    2012-09-01

    In a continuation of our initial investigation of the complex 13C and 19F spectra exhibited by two simple organofluorine compounds, additional organofluorine compounds expected to exhibit a wide range of spectral complexity were studied. Spectral simulations are critical for analyzing the more complex spin systems, in particular, A3B3X and A6B3X. Cross-correlated relaxation is commonly observed; examples of 13Csbnd 19F cross-correlated relaxation are shown with the signals for each nucleus exhibiting unequal relaxation rates. Higher order effects are particularly noticeable in the spectra of perfluoro-t-butyl alcohol because of a large 4JFF value in the (13CF3)(12CF3)212COH isotopomer. The many additional transitions in an A3B3X spin system compared to an ABX spin system result in much more complex 19F (A3 and B3) and 13C (X) spectra, even though only three types of nuclei are involved in each spin system. The corresponding protio compounds typically constitute a much simpler A3M3X spin system because the long-range nJHH coupling (n ⩾ 4) is much smaller than the corresponding long-range nJFF coupling. Spectra previously published for ethane-1-13C (A3B3X) and hexafluoroethane-1-13C (A3M3X) are notable exceptions and are discussed.

  11. Raman-excited spin coherences in nitrogen-vacancy color centers in diamond.

    PubMed

    Hemmer, P R; Turukhin, A V; Shahriar, M S; Musser, J A

    2001-03-15

    Raman-excited spin coherences were experimentally observed in nitrogen-vacancy (N-V) diamond color centers by means of nondegenerate four-wave mixing and electromagnetically induced transparency. The maximal absorption suppression was found to be 17%, which corresponds to 70% of what is possible given the random geometric orientation of the N-V center in diamond. In the context of quantum computing in solids, this level of transparency represents efficient preparation of quantum bits, as well as the ability to perform arbitrary single-quantum-bit rotations. PMID:18040324

  12. Quantum interference of stored dual-channel spin-wave excitations in a single tripod system

    SciTech Connect

    Wang Hai; Li Shujing; Xu Zhongxiao; Zhao Xingbo; Zhang Lijun; Li Jiahua; Wu Yuelong; Xie Changde; Peng Kunchi; Xiao Min

    2011-04-15

    We present an experimental demonstration of dual-channel memory in a single tripod atomic system. The total readout signal exhibits either constructive or destructive interference when the dual-channel spin-wave excitations (SWEs) are retrieved by two reading beams with a controllable relative phase. When the two reading beams have opposite phases, the SWEs will remain in the medium, which can be retrieved later with two in-phase reading beams. Such a phase-sensitive storage and retrieval scheme can be used to measure and control the relative phase between the two SWEs in the memory medium, which may find applications in quantum-information processing.

  13. Entanglement spectrum and entangled modes of highly excited states in random XX spin chains

    NASA Astrophysics Data System (ADS)

    Pouranvari, Mohammad; Yang, Kun

    We examine the newly developed real space renormalization group method of finding excited eigenstate (RSRG-X) of the XX spin-1/2 chain, from entanglement perspectives. Eigenmodes of the entanglement Hamiltonian, especially the maximally entangled mode (that contributes the most to the entanglement entropy) and corresponding entanglement energies are studied and compared with predictions of RSRG-X. Our numerical results demonstrate the accuracy of the RSRG-X method in the strong disorder limit, and quantify its error when applied to weak disorder regime. Overall, our results validate the RSRG-X method qualitatively, but as in the case of real space renormalization group method for the ground state (RSRG) there are quantitative errors for weaker randomness, and also such error grows with increasing temperature/excitation energy density.

  14. Interconfigurational absorption and two-photon excitation spectra of PtCl sub 6 sub 2 minus -containing crystals

    SciTech Connect

    Yoo, Ryong, K.; Keiderling, T.A. )

    1990-10-18

    Low-temperature absorption and two-photon excitation spectra of complexes containing PtCl{sub 6}{sup 2{minus}} are presented and discussed. One-photon absorption spectra with moderately well resolved vibronic structure were obtained for PtCl{sub 6}{sup 2{minus}} in dilute mixed crystals. The data show that a transition to a low-lying interconfigurational state is located at {approximately} 18,000 cm{sup {minus}1} in the spectral frequency region below the first absorption transition previously assigned by others. This transition cannot be unambiguously assigned. If it corresponds to the same excited state responsible for the PtCl{sub 6}{sup 2{minus}} emission spectrum, this would lead to a partial reassignment of the excited states from that of earlier work. Ligand field calculations consistent with such a reassignment are presented. The two-photon excitation (TPE) spectra of the mixed Cs{sub 2}ZrCl{sub 6}:PtCl{sub 6}{sup 2{minus}} and pure K{sub 2}PtCl{sub 6} (at 77 K), measured with an improved spectrometer, show a noticeable improvement in signal-to-noise ratio compared to the previously reported TPE spectra of K{sub 2}PtCl{sub 6} and are assigned to higher energy d-d transitions.

  15. a Spin Relaxation Model for the Moessbauer Spectra of Barium Tin

    NASA Astrophysics Data System (ADS)

    Irwin, George Michael

    The stochastic relaxation theory of Anderson and Sack is applied to the Mossbauer spectra of seven samples of BaSn_{rm x}Ti _{rm 2-x}Fe _4O_{11} with compositions x = 0.0, 0.4, 0.6, 0.8, 1.2, 1.6, and 2.0. The spectra were obtained at room temperature and in the temperature range 20 K to 170 K. The broad, low temperature spectra were analysed using least square fitting to a simple model for Fe^{3+} in which the ionic moment is subject to a molecular field and a perpendicular random field which induces transitions between spin states. The resulting fits rival the results of analyses on similar systems using static hyperfine field distributions while requiring only two free parameters to mimic the temperature dependence of the spectral lineshapes. The results verify a magnetic double transition in the sample with x = 0.0 which disappears as Sn is added, but suggests that the samples with x = 1.2, 1.6, and 2.0 also show a double transition that has not been observed using other methods.

  16. Primary excitation spectra in XPS and AES of Cu, CuO: Relative importance of surface and core hole effects

    NASA Astrophysics Data System (ADS)

    Pauly, N.; Tougaard, S.

    2015-11-01

    Quantitative interpretation of structures observed in XPS and AES requires models to correct for various physical processes involved. Besides the initial excitation process in XPS and AES, the measured spectrum is affected by three additional effects: the corehole(s), transport to the surface region and passage through the surface and vacuum regions. These three effects can be calculated by the QUEELS-XPS software (Quantitative analysis of Electron Energy Losses at Surfaces) in terms of energy-differential inelastic electron scattering cross sections. From this and the QUASES software (Quantitative Analysis of Surfaces by Electron Spectroscopy), background contributions and primary excitation spectra are obtained for various transitions (Cu 2p from Cu or CuO and Cu L3M23M23) and we investigate the separate effect of bulk, surface, and core hole(s) excitations. We show that the shape of the XPS and AES primary spectra and background contributions are modified slightly by surface effects and very strongly by core hole(s) effects. For metals, the intrinsic excitations give rise to a prominent spike in the background close to the XPS-peak energy. This spike will be much reduced for wide band gap insulators. Moreover our method gives an easy procedure to obtain the true primary excitation spectra for XPS and AES.

  17. Excitation spectra of photoluminescence and its kinetics in structures with self-assembled Ge:Si nanoislands

    SciTech Connect

    Yablonskiy, A. N. Baidakova, N. A. Novikov, A. V.; Lobanov, D. N.; Shaleev, M. V.

    2015-11-15

    The spectral and time characteristics of photoluminescence associated with the radiative recombination of charge carriers in SiGe/Si(001) multilayer structures with self-assembled Ge:Si islands are investigated. The time dependences of the photoluminescence of Ge:Si islands in a wide range of delay times after the pump pulse are considered at various optical-excitation levels. The photoluminescence-excitation spectra from Ge(Si) islands in the SiGe/Si(001) structures are investigated in the region of band-to-band and subband optical pumping corresponding to various time components in the photoluminescence-relaxation kinetics. A significant difference in the shape of the excitation spectra is revealed for fast (0–100 μs) and slow (100 μs–50 ms) components of the photoluminescence signal from the islands. The significant dependence of the photoluminescence-excitation spectra of Ge(Si)/Si(001) islands on the optical-pump power is shown to be associated with the prolonged diffusion of nonequilibrium charge carriers from bulk-silicon layers to Ge:Si islands at high excitation levels.

  18. First glimpse of the soft x-ray induced excited spin-state trapping effect dynamics on spin cross-over molecules

    SciTech Connect

    Davesne, V.; Gruber, M.; Miyamachi, T.; Da Costa, V.; Boukari, S.; Scheurer, F.; Joly, L.; Bowen, M.; Beaurepaire, E.; Ohresser, P.; Otero, E.; Choueikani, F.; Gaspar, A. B.; Real, J. A.; Wulfhekel, W.

    2013-08-21

    The dynamics of the soft x-ray induced excited spin state trapping (SOXIESST) effect of Fe(phen){sub 2}(NCS){sub 2} (Fe-phen) powder have been investigated by x-ray absorption spectroscopy (XAS) using the total electron yield method, in a wide temperature range. The low-spin (LS) state is excited into the metastable high-spin (HS) state at a rate that depends on the intensity of the x-ray illumination it receives, and both the temperature and the intensity of the x-ray illumination will affect the maximum HS proportion that is reached. We find that the SOXIESST HS spin state transforms back to the LS state at a rate that is similar to that found for the light induced excited spin state trapping (LIESST) effect. We show that it is possible to use the SOXIESST effect in combination with the LIESST effect to investigate the influence of cooperative behavior on the dynamics of both effects. To investigate the impact of molecular cooperativity, we compare our results on Fe-phen with those obtained for Fe([Me{sub 2}Pyrz]{sub 3}BH){sub 2} (Fe-pyrz) powder, which exhibits a similar thermal transition temperature but with a hysteresis. We find that, while the time constant of the dynamic is identical for both molecules, the SOXIESST effect is less efficient at exciting the HS state in Fe-pyrz than in Fe-phen.

  19. Domain wall motion driven by adiabatic spin transfer torque through excitation of nonlinear dynamics

    NASA Astrophysics Data System (ADS)

    Wang, D.; Dong, Yulan; Yan, Zhou; Wang, Xi-guang; He, Jun; Guo, Guang-hua

    2016-05-01

    Domain wall dynamics under the joint action of a linearly polarized microwave magnetic field and spin transfer torque was analysed in terms of the domain wall collective coordinates. It was found that a microwave-assisted steady domain wall motion driven by adiabatic spin transfer torque can be adequately described by three domain wall collective coordinates. Analytical expression for the domain wall velocity showed that there are two contributions to the steady domain wall motion. One is derived from the nonlinear oscillation of domain wall width excited by the microwave field, and the other is from the heterodyne process between the width oscillation and the microwave field. The former always propels a domain wall to move in the positive direction, which is defined as the direction of the applied current. The latter contribution to the domain wall velocity can be positive or negative, depending on the polarization of the microwave field. The final domain wall velocity is determined by the competition between those two contributions, which indicates that by simply changing the polarization of the microwave field, the direction of the domain wall motion can be reversed. Our analysis demonstrated that the characteristics of domain wall motion can be tuned by selective excitation of nonlinear domain wall dynamics.

  20. Theoretical grounds of relativistic methods for calculation of spin–spin coupling constants in nuclear magnetic resonance spectra

    NASA Astrophysics Data System (ADS)

    Rusakova, I. L.; Rusakov, Yu Yu; Krivdin, L. B.

    2016-04-01

    The theoretical grounds of the modern relativistic methods for quantum chemical calculation of spin–spin coupling constants in nuclear magnetic resonance spectra are considered. Examples and prospects of application of relativistic calculations of these constants in the structural studies of organic and heteroorganic compounds are discussed. Practical recommendations on relativistic calculations of spin–spin coupling constants using the available software are given. The bibliography includes 622 references.

  1. Spin wave excitations in the tetragonal double perovskite Sr2CuWO6

    NASA Astrophysics Data System (ADS)

    Walker, H. C.; Mustonen, O.; Vasala, S.; Voneshen, D. J.; Le, M. D.; Adroja, D. T.; Karppinen, M.

    2016-08-01

    Sr2CuWO6 is a double perovskite proposed to be at the border between two- and three-dimensional magnetism, with a square lattice of S =1/2 Cu2 + ions. We have used inelastic neutron scattering to investigate the spin wave excitations of the system, to find out how they evolve as a function of temperature, as well as to obtain information about the magnetic exchange interactions. We observed well defined dispersive spin wave modes at 6 K, which partially survive above the magnetic ordering temperature TN=24 K. Linear spin wave theory is used to determine the exchange interactions revealing them to be highly two dimensional in nature. Density functional theory calculations are presented supporting this experimental finding, which is in contrast to a previous ab initio study of the magnetic interactions. Our analysis confirms that not the nearest neighbor, but the next nearest neighbor interactions in the tetragonal a b plane are the strongest. Low incident energy measurements reveal the opening of a 0.6(1) meV gap below TN, which suggests the presence of a very weak single ion anisotropy term in the form of an easy axis along a ̂.

  2. Disappearance of antiferromagnetic spin excitations in overdoped La2-xSrxCuO4.

    PubMed

    Wakimoto, S; Yamada, K; Tranquada, J M; Frost, C D; Birgeneau, R J; Zhang, H

    2007-06-15

    Magnetic excitations for energies up to approximately 100 meV are studied for overdoped La(2-x)Sr(x)CuO(4) with x=0.25 and 0.30, using time-of-flight neutron spectroscopy. Comparison of spectra integrated over the width of an antiferromagnetic Brillouin zone demonstrates that the magnetic scattering at intermediate energies, 20

  3. Excited Charm States

    SciTech Connect

    Shukla, S.

    1994-12-31

    Characteristics of mass spectra and decays of orbitally excited charm mesons and baryons, expected on the basis of quark models and Heavy Quark Symmetry, are briefly described. The difficulties associated with measurements on these excited states are discussed. The accuracy and reliability of currently available experimental information is examined. The reasons, for the widely accepted spin-parity assignments to the observed excited mesons and baryons, are stated. Finally, the experimental data, with the accepted spin-parity assignments, is compared with expectations based on quark models and Heavy Quark Symmetry.

  4. Velocity autocorrelation spectra in molten polymers measured by NMR modulated gradient spin-echo

    NASA Astrophysics Data System (ADS)

    Stepišnik, Janez; Mohorič, Aleš; Mattea, Carlos; Stapf, Siegfried; Serša, Igor

    2014-04-01

    The segmental dynamics in molten linear polymers is studied by the NMR method of modulated gradient spin-echo, which directly probes a spectrum of molecular velocity autocorrelation function. Diffusion spectra of mono-disperse poly(isoprene-1.4) with different molecular masses, measured in the frequency range 0.1-10 kHz at a temperature of 26\\ ^{\\circ}\\text{C} , have a form similar to the spectrum of Rouse chain dynamics, which implicates the tube-Rouse motion as the dominant dynamic process in this frequency range. The scaling of the center-of-mass diffusion coefficient, given from the fitting parameters, changes from N^{-1} into N^{-2.4} at around N \\approx 3\\text{-}5 Kuhn steps, which is less than predicted by theory and simulations, while the correlation times of the tube-Rouse mode do not follow the anticipated scaling.

  5. Probing the quantum ground state of a spin-1 Bose-Einstein condensate with cavity transmission spectra

    SciTech Connect

    Zhang, J. M.; Cui, S.; Jing, H.; Zhou, D. L.; Liu, W. M.

    2009-10-15

    We propose to probe the quantum ground state of a spin-1 Bose-Einstein condensate with the transmission spectra of an optical cavity. By choosing a circularly polarized cavity mode with an appropriate frequency, we can realize coupling between the cavity mode and the magnetization of the condensate. The cavity transmission spectra then contain information of the magnetization statistics of the condensate and thus can be used to distinguish the ferromagnetic and antiferromagnetic quantum ground states. This technique may also be useful for continuous observation of the spin dynamics of a spinor Bose-Einstein condensate.

  6. Excitation Emission Matrix Spectra (EEMS) of Chromophoric Dissolved Organic Matter Produced during Microbial Incubation

    NASA Astrophysics Data System (ADS)

    McDonald, N.; Nelson, N. B.; Parsons, R.

    2013-12-01

    The chromophoric or light-absorbing fraction of dissolved organic matter (CDOM) is present ubiquitously in natural waters and has a significant impact on ocean biogeochemistry, affecting photosynthesis and primary production as well direct and indirect photochemical reactions (Siegel et al., 2002; Nelson et al., 2007). It has been largely researched in the past few decades, however the exact chemical composition remains unknown. Instrumental methods of analysis including simultaneous excitation-emission fluorescence spectra have allowed for further insight into source and chemical composition. While certain excitation-emission peaks have been associated with ';marine' sources, they have not been exclusively linked to bacterial production of CDOM (Coble, 1996; Zepp et al., 2004). In this study, ';grazer diluted' seawater samples (70% 0.2μm filtered water; 30% whole water) were collected at the Bermuda Atlantic Time Series (BATS) site in the Sargasso Sea (31° 41' N; 64° 10' W) and incubated with an amendment of labile dissolved organic carbon (10μM C6H12O6), ammonium (1μM NH4Cl) and phosphate (0.1μM K2HPO4) to facilitate bacterial production. These substrates and concentrations have been previously shown to facilitate optimum bacterial and CDOM production (Nelson et al., 2004). Sample depths were chosen at 1m and 200m as water at these depths has been exposed to UV light (the Subtropical Mode Water at 200m has been subducted from the surface) and therefore has low initial concentrations of CDOM. After the samples were amended, they were incubated at in-situ temperatures in the dark for 72 hours, with bacteria counts, UV-Vis absorption and EEMS measurements taken at 6-8 hour intervals. Dissolved organic carbon (DOC) measurements were collected daily. For the surface water experiment specific bacteria populations were investigated using Fluorescence In-Situ Hybridization (FISH) analysis. Results showed a clear production of bacteria and production of CDOM, which

  7. Phase relaxed localized excitation pulses for inner volume fast spin echo imaging

    PubMed Central

    Hajnal, Joseph V.

    2015-01-01

    Purpose To design multidimensional spatially selective radiofrequency (RF) pulses for inner volume imaging (IVI) with three‐dimensional (3D) fast spin echo (FSE) sequences. Enhanced background suppression is achieved by exploiting particular signal properties of FSE sequences. Theory and Methods The CPMG condition dictates that echo amplitudes will rapidly decrease if a 90° phase difference between excitation and refocusing pulses is not present, and refocusing flip angles are not precisely 180°. This mechanism is proposed as a means for generating additional background suppression for spatially selective excitation, by biasing residual excitation errors toward violating the CPMG condition. 3D RF pulses were designed using this method with a 3D spherical spiral trajectory, under‐sampled by factor 5.6 for an eight‐channel PTx system, at 3 Tesla. Results 3D‐FSE IVI with pulse durations of approximately 12 ms was demonstrated in phantoms and for T2‐weighted brain imaging in vivo. Good image quality was obtained, with mean background suppression factors of 103 and 82 ± 6 in phantoms and in vivo, respectively. Conclusion Inner Volume Imaging with 3D‐FSE has been demonstrated in vivo with tailored 3D‐RF pulses. The proposed design methods are also applicable to 2D pulses. Magn Reson Med 76:848–861, 2016. © 2015 The Authors. Magnetic Resonance in Medicine published by Wiley Periodicals, Inc. on behalf of International Society for Magnetic Resonance in Medicine PMID:26451691

  8. Magnonic band structure, complete bandgap, and collective spin wave excitation in nanoscale two-dimensional magnonic crystals

    SciTech Connect

    Kumar, D.; Barman, A.; Kłos, J. W.; Krawczyk, M.

    2014-01-28

    We present the observation of a complete bandgap and collective spin wave excitation in two-dimensional magnonic crystals comprised of arrays of nanoscale antidots and nanodots, respectively. Considering that the frequencies dealt with here fall in the microwave band, these findings can be used for the development of suitable magnonic metamaterials and spin wave based signal processing. We also present the application of a numerical procedure, to compute the dispersion relations of spin waves for any high symmetry direction in the first Brillouin zone. The results obtained from this procedure have been reproduced and verified by the well established plane wave method for an antidot lattice, when magnetization dynamics at antidot boundaries are pinned. The micromagnetic simulation based method can also be used to obtain iso–frequency contours of spin waves. Iso–frequency contours are analogous of the Fermi surfaces and hence, they have the potential to radicalize our understanding of spin wave dynamics. The physical origin of bands, partial and full magnonic bandgaps have been explained by plotting the spatial distribution of spin wave energy spectral density. Although, unfettered by rigid assumptions and approximations, which afflict most analytical methods used in the study of spin wave dynamics, micromagnetic simulations tend to be computationally demanding. Thus, the observation of collective spin wave excitation in the case of nanodot arrays, which can obviate the need to perform simulations, may also prove to be valuable.

  9. First-principles calculation of ground and excited-state absorption spectra of ruby and alexandrite considering lattice relaxation

    NASA Astrophysics Data System (ADS)

    Watanabe, Shinta; Sasaki, Tomomi; Taniguchi, Rie; Ishii, Takugo; Ogasawara, Kazuyoshi

    2009-02-01

    We performed first-principles calculations of multiplet structures and the corresponding ground-state absorption and excited-state absorption spectra for ruby (Cr3+:α-Al2O3) and alexandrite (Cr3+:BeAl2O4) which included lattice relaxation. The lattice relaxation was estimated using the first-principles total energy and molecular-dynamics method of the CASTEP code. The multiplet structure and absorption spectra were calculated using the configuration-interaction method based on density-functional calculations. For both ruby and alexandrite, the theoretical absorption spectra, which were already in reasonable agreement with experimental spectra, were further improved by consideration of lattice relaxation. In the case of ruby, the peak positions and peak intensities were improved through the use of models with relaxations of 11 or more atoms. For alexandrite, the polarization dependence of the U band was significantly improved, even by a model with a relaxation of only seven atoms.

  10. Influence of Oil-in-Water Emulsions on Fluorescence Properties as Observed by Excitation-Emission Spectra

    NASA Astrophysics Data System (ADS)

    Baszanowska, E.; Zielinski, O.; Otremba, Z.; Toczek, H.

    2013-10-01

    Oil poses a major threat to marine ecosystems. This work describes a set of studies focused on introducing an efficient method for the identification of oil in the form of oil emulsions through fluorescence spectra analyses. Hence the concept of classification of oil pollution in seawater based on fluorescence spectroscopy using a high sensitive fluorimeter [1] suitable for laboratory and in situ measurements is introduced. We consider that this approach, in the future, will make it possible to collect specific fluorescence information allowing us to build a base of the oil standards. Here we examined excitation-emission fluorescence spectra (EEMs) of water containing oil-in-water emulsion prepared artificially under laboratory conditions. Water polluted with oil-in-water emulsion was studied with the objective to estimate differences in three-dimensional fluorescence spectra. Studies included various types of oils and oil concentrations. Essential differences in fluorescence spectra for various oils are indicated.

  11. A simplified Tamm-Dancoff density functional approach for the electronic excitation spectra of very large molecules

    NASA Astrophysics Data System (ADS)

    Grimme, Stefan

    2013-06-01

    Two approximations in the Tamm-Dancoff density functional theory approach (TDA-DFT) to electronically excited states are proposed which allow routine computations for electronic ultraviolet (UV)- or circular dichroism (CD) spectra of molecules with 500-1000 atoms. Speed-ups compared to conventional time-dependent DFT (TD-DFT) treatments of about two to three orders of magnitude in the excited state part at only minor loss of accuracy are obtained. The method termed sTDA ("s" for simplified) employs atom-centered Löwdin-monopole based two-electron repulsion integrals with the asymptotically correct 1/R behavior and perturbative single excitation configuration selection. It is formulated generally for any standard global hybrid density functional with given Fock-exchange mixing parameter ax. The method performs well for two standard benchmark sets of vertical singlet-singlet excitations for values of ax in the range 0.2-0.6. The mean absolute deviations from reference data are only 0.2-0.3 eV and similar to those from standard TD-DFT. In three cases (two dyes and one polypeptide), good mutual agreement between the electronic spectra (up to 10-11 eV excitation energy) from the sTDA method and those from TD(A)-DFT is obtained. The computed UV- and CD-spectra of a few typical systems (e.g., C60, two transition metal complexes, [7]helicene, polyalanine, a supramolecular aggregate with 483 atoms and about 7000 basis functions) compare well with corresponding experimental data. The method is proposed together with medium-sized double- or triple-zeta type atomic-orbital basis sets as a quantum chemical tool to investigate the spectra of huge molecular systems at a reliable DFT level.

  12. Magnetic excitations in the spin-1/2 triangular-lattice antiferromagnet Cs2CuBr4

    DOE PAGESBeta

    Zvyagin, S. A.; Ozerov, M.; Kamenskyi, D.; Wosnitza, J.; Krzystek, J.; Yoshizawa, D.; Hagiwara, M.; Hu, Rongwei; Ryu, Hyejin; Petrovic, C.; et al

    2015-11-27

    We present on high- field electron spin resonance (ESR) studies of magnetic excitations in the spin- 1/2 triangular-lattice antiferromagnet Cs2CuBr4. Frequency- field diagrams of ESR excitations are measured for different orientations of magnetic fields up to 25 T. We show that the substantial zero- field energy gap, Δ ≈ 9.5 K, observed in the low-temperature excitation spectrum of Cs2CuBr4 [Zvyagin et al:, Phys. Rev. Lett. 112, 077206 (2014)], is present well above TN. Noticeably, the transition into the long-range magnetically ordered phase does not significantly affect the size of the gap, suggesting that even below TN the high-energy spin dynamicsmore » in Cs2CuBr4 is determined by short-range-order spin correlations. The experimental data are compared with results of model spin-wave-theory calculations for spin-1/2 triangle-lattice antiferromagnet.« less

  13. Ultraviolet spectra of planetary nebulae. VII - The abundance of carbon in the very low excitation nebula He 2-131

    NASA Astrophysics Data System (ADS)

    Adams, S.; Seaton, M. J.

    1982-07-01

    Features observed in infrared spectra suggest that certain very low excitation (VLE) nebulae have low C/O abundance ratios (Cohen & Barlow 1980; Aitken & Roche 1982). Fluxes in the multiplets [O II] sun2470 and [O II] λ2326 have been measured for the VLE nebula He 2-131 = HD 138403 using lUE high-dispersion spectra. An analysis similar to that of Harrington et al. (1980) for IC 418 gives C/O = 0.3 for He 2-131, compared with C/O = 1.3 for IC 418 and 0.6 for the Sun.

  14. Inhomogeneous nuclear spin polarization induced by helicity-modulated optical excitation of fluorine-bound electron spins in ZnSe

    NASA Astrophysics Data System (ADS)

    Heisterkamp, F.; Greilich, A.; Zhukov, E. A.; Kirstein, E.; Kazimierczuk, T.; Korenev, V. L.; Yugova, I. A.; Yakovlev, D. R.; Pawlis, A.; Bayer, M.

    2015-12-01

    Optically induced nuclear spin polarization in a fluorine-doped ZnSe epilayer is studied by time-resolved Kerr rotation using resonant excitation of donor-bound excitons. Excitation with helicity-modulated laser pulses results in a transverse nuclear spin polarization, which is detected as a change of the Larmor precession frequency of the donor-bound electron spins. The frequency shift in dependence on the transverse magnetic field exhibits a pronounced dispersion-like shape with resonances at the fields of nuclear magnetic resonance of the constituent zinc and selenium isotopes. It is studied as a function of external parameters, particularly of constant and radio frequency external magnetic fields. The width of the resonance and its shape indicate a strong spatial inhomogeneity of the nuclear spin polarization in the vicinity of a fluorine donor. A mechanism of optically induced nuclear spin polarization is suggested based on the concept of resonant nuclear spin cooling driven by the inhomogeneous Knight field of the donor-bound electron.

  15. Localized spin-wave excitation by the evanescent microwave scanning probe

    SciTech Connect

    Sakran, F.; Golosovsky, M.; Davidov, D.; Monod, P.

    2006-02-15

    We report a technique for the local contactless spin-wave excitation using the evanescent microwave scanning probe. Our probe is based on a dielectric resonator with the thin slit aperture. It operates at 8.8 GHz, has a spatial resolution of 10-100 {mu}m, and may be operated in the parallel and in the perpendicular magnetic field. The measurements can be performed in contact mode or by scanning the sample at constant probe-sample separation. Using 120-150 nm thick Permalloy films on a glass substrate as test samples, we show how our technique can be used for thickness measurements of thin magnetic films and for the mapping of their magnetic properties, such as magnetization and surface anisotropy.

  16. Deformation increase of high-spin core-excited isomers in the astatine nuclei

    SciTech Connect

    Scheveneels, G.; Hardeman, F.; Neyens, G.; Coussement, R. )

    1991-06-01

    Quadrupole moments of six high-spin isomers in the At isotopes have been measured with the level-mixing-spectroscopy method: {sup 208}At(16{sup {minus}}), {sup 209}At(29/2{sup +}), {sup 210}At(19{sup +},15{sup {minus}}), {sup 211}At(39/2{sup {minus}},29/2{sup +}). The results show that level mixing spectroscopy is a promising technique to determine quadrupole moments of isomers that are difficult to measure by other in-beam hyperfine interaction methods. A large increase of the quadrupole moment is observed if neutrons are excited across or removed from the {ital N}=126 shell closure. This behavior is explained in terms of an enhanced core softness for fewer core neutrons; the aligned valence particles, moving in equatorial orbits, then easily polarize the core towards oblate deformation.

  17. Effect of spin fluctuations on quasiparticle excitations: First-principles theory and application to sodium and lithium

    NASA Astrophysics Data System (ADS)

    Lischner, Johannes; Bazhirov, Timur; MacDonald, Allan H.; Cohen, Marvin L.; Louie, Steven G.

    2014-02-01

    We present first-principles calculations for quasiparticle excitations in sodium and lithium, including the effects of charge and spin fluctuations. We employ the Overhauser-Kukkonen form for the electron self-energy arising from spin fluctuations and demonstrate that the coupling of electrons to spin fluctuations gives an important contribution to the quasiparticle lifetime but does not significantly reduce the occupied bandwidth. Including correlation effects beyond the random-phase approximation in the screening from charge fluctuations yields good agreement with experiment.

  18. First Observations of Laser-Excited Hg3 and Hg2RG Spectra in a Supersonic Expansion Beam

    PubMed

    Koperski; Atkinson; Krause

    1998-02-01

    Triatomic van der Waals complexes of mercury have been observed in a supersonic expansion beam crossed with a laser beam to produce excitation and fluorescence spectra. The expansion beam consisting of mercury and a (noble) carrier gas (RG) was excited in three separate spectral regions: in the vicinity of the Hg 2537 A intercombination line, near the (forbidden) Hg 6(3)P2 <-- 6(1)S0 atomic transition (2200-2290 A), and in the region of the Hg2 G0(+)u <-- X0(+)g transition (1975-2080 A). The resulting spectra, which were recorded in the spectral range 1900-6000 A, contained, in addition to the known Hg, Hg2, and HgRG components, new absorption and fluorescence bands that are ascribed to Hg2RG and Hg3 complexes. Copyright 1998 Academic Press. Copyright 1998Academic Press PMID:9473437

  19. Spin excitations in a model of FeSe with orbital ordering

    NASA Astrophysics Data System (ADS)

    Kreisel, A.; Mukherjee, Shantanu; Hirschfeld, P. J.; Andersen, Brian M.

    2015-12-01

    We present a theoretical study of the dynamical spin susceptibility for the intriguing Fe-based superconductor FeSe, based on a tight-binding model developed to account for the temperature-dependent band structure in this system. The model allows for orbital ordering in the dx z/dy z channel below the structural transition and presents a strongly C4-symmetry-broken Fermi surface at low temperatures which accounts for the nematic properties of this material. The calculated spin excitations are peaked at wave vector (π ,0 ) in the 1-Fe Brillouin zone, with a broad maximum at energies of order a few meV. In this range, the occurrence of superconductivity sharpens this peak in energy, creating a (π ,0 ) "neutron resonance" as seen in recent experiments. With the exception of the quite low energy scale of these fluctuations, these results are roughly similar to standard behavior in Fe pnictide systems. At higher energies, however, intensity increases and shifts to wave vectors along the (π ,0 )-(π ,π ) line. We compare with existing inelastic neutron experiments and NMR data, and give predictions for further studies.

  20. Thermal Excitation of Gadolinium-Based Contrast Agents Using Spin Resonance

    PubMed Central

    Fridjhon, Peter; Rubin, David M.

    2016-01-01

    Theoretical and experimental investigations into the thermal excitation of liquid paramagnetic contrast agents using the spin resonance relaxation mechanism are presented. The electronic spin-lattice relaxation time τ1e of gadolinium-based contrast agents, which is estimated at 0.1 ns, is ten orders of magnitude faster than the relaxation time of protons in water. The shorter relaxation time is found to significantly increase the rate of thermal energy deposition. To the authors’ knowledge this is the first study of gadolinium based contrast agents in a liquid state used as thermal agents. Analysis shows that when τ1e and other experimental parameters are optimally selected, a maximum theoretical heating rate of 29.4 °C.s−1 could be achieved which would suffice for clinical thermal ablation of neoplasms. The experimental results show a statistically significant thermal response for two out of the four contrast agents tested. The results are compared to the simulated estimates via analysis of a detailed model of the system. While these experimentally determined temperature rises are small and thus of no clinical utility, their presence supports the theoretical analysis and strongly suggests that the chemical structure of the selected compounds plays an important role in this mechanism of heat deposition. There exists an opportunity for the development of alternative gadolinium-based compounds with an order of magnitude longer τ1e in a diluted form to be used as an efficient hyperthermia agent for clinical use. PMID:27341338

  1. Thermal Excitation of Gadolinium-Based Contrast Agents Using Spin Resonance.

    PubMed

    Dinger, Steven C; Fridjhon, Peter; Rubin, David M

    2016-01-01

    Theoretical and experimental investigations into the thermal excitation of liquid paramagnetic contrast agents using the spin resonance relaxation mechanism are presented. The electronic spin-lattice relaxation time τ1e of gadolinium-based contrast agents, which is estimated at 0.1 ns, is ten orders of magnitude faster than the relaxation time of protons in water. The shorter relaxation time is found to significantly increase the rate of thermal energy deposition. To the authors' knowledge this is the first study of gadolinium based contrast agents in a liquid state used as thermal agents. Analysis shows that when τ1e and other experimental parameters are optimally selected, a maximum theoretical heating rate of 29.4 °C.s-1 could be achieved which would suffice for clinical thermal ablation of neoplasms. The experimental results show a statistically significant thermal response for two out of the four contrast agents tested. The results are compared to the simulated estimates via analysis of a detailed model of the system. While these experimentally determined temperature rises are small and thus of no clinical utility, their presence supports the theoretical analysis and strongly suggests that the chemical structure of the selected compounds plays an important role in this mechanism of heat deposition. There exists an opportunity for the development of alternative gadolinium-based compounds with an order of magnitude longer τ1e in a diluted form to be used as an efficient hyperthermia agent for clinical use. PMID:27341338

  2. Spin-lozenge thermodynamics and magnetic excitations in Na3RuO4

    SciTech Connect

    Haraldsen, Jason T; Stone, Matthew B; Lumsden, Mark D; Barnes, Ted {F E }; Jin, Rongying; Taylor, J. W.; Fernandez-Alonso, F

    2009-01-01

    We report inelastic and elastic neutron scattering, magnetic susceptibility, and heat capacity measurements of polycrystalline sodium ruthenate (Na3RuO4). Previous work suggests this material consists of isolated tetramers of S = 3/2 Ru5+ ions in a so-called lozenge configuration. Using a Heisenberg antiferromagnet Hamiltonian, we analytically determine the energy eigenstates for general spin S. From this model, the neutron scattering cross-sections for excitations associated with spin-3/2 tetramer configurations is determined. Comparison of magnetic susceptibility and inelastic neutron scattering results shows that the proposed lozenge model is not distinctly supported, but provides evidence that the system may be better described as a pair of non-interacting inequivalent dimers, i.e double dimers. However, the existence of long-range magnetic order below Tc ≈ 28 K immediately questions such a description. Although no evidence of the lozenge model is observed, future studies on single crystals may further clarify the appropriate magnetic Hamiltonian.

  3. Broad excitation spectra and bright reddish-orange emission of transparent phosphate glass excited by sunshine for greenhouses

    NASA Astrophysics Data System (ADS)

    Han, Yingdong; Song, Feng; Li, Qiong; Wang, Fengxiao; Ming, Chengguo; Tian, Jianguo

    2014-11-01

    A series of Mn2+/Sm3+ co-doped phosphate glasses have been synthesized by high temperature melting method to investigate reddish-orange emission materials for greenhouses. Experiments show that the Mn2+/Sm3+ co-doped glasses can be effectively excited by a wide spectrum (300-560 nm) and emit bright reddish-orange light. The intense emission bands for the co-doped phosphate glasses are from 590 nm to 660 nm, which exactly locate in the absorption domain of chlorophylls. Bright red-orange light emission is straightly observed by naked eyes when the sample is illuminated by sunlight without focused-lens. These improved luminescent properties show potential application in glass greenhouses.

  4. Singlet-Triplet Excitations in the Unconventional Spin-Peierls System TiOBr

    NASA Astrophysics Data System (ADS)

    Clancy, J. P.; Gaulin, B. D.; Adams, C. P.; Granroth, G. E.; Kolesnikov, A. I.; Sherline, T. E.; Chou, F. C.

    2011-03-01

    TiOBr belongs to a select group of quasi-one-dimensional materials which undergo a spin-Peierls (SP) phase transition and develop a dimerized singlet ground state at low temperatures. However, unlike conventional SP systems, TiOBr exhibits not one, but two successive phase transitions upon cooling: a continuous transition into an incommensurate SP state at TC 2 ~ 48 K, followed by a discontinuous transition into a commensurate SP state at TC 1 ~ 27 K. We have performed time-of-flight neutron scattering measurements on powder samples of TiOBr using the fine-resolution Fermi chopper spectrometer (SEQUOIA) at the Spallation Neutron Source. These measurements reveal two branches of magnetic excitations within the commensurate and incommensurate SP phases, which we associate with n = 1 and n = 2 triplet excitations out of the singlet ground state. This study represents the first direct measure of the singlet-triplet energy gap in TiOBr, which we have determined to be Eg = 21.2 +/- 1.0 meV.

  5. Spin excitations in the (Sr,Ca)14Cu24O41 family of spin ladders: 63Cu and 17O NMR studies under pressure

    NASA Astrophysics Data System (ADS)

    Piskunov, Y.; Jérome, D.; Auban-Senzier, P.; Wzietek, P.; Yakubovsky, A.

    2004-01-01

    We report the results of a NMR study of hole doped spin ladders belonging to the series Sr14-xCaxCu24O41+δ performed on 63Cu and 17O nuclei. The new results obtained on Ca0 and Ca12 single crystals at ambient pressure and also under 32 kbar confirm the onset of low-lying spin fluctuations modes at zero energy coexisting with spin-gapped excitations when superconductivity can be stabilized under pressure in Ca12. We found that the theoretical two and three magnons mechanisms explain fairly well the spin-lattice relaxation data using the magnitude of the pressure dependent magnon spin gap Δs derived from the Knight shifts data as long as most of the spectral weight for low-frequency spin fluctuations is provided by the magnon dispersion of isolated ladders. The cross over between spin gapped and paramagnetic regimes of decoupled Heisenberg chains can be identified in heavily doped ladders via the temperature dependence of dynamical structure factors at q˜(π,π) and q˜(0,0) wave vectors. The cross over temperature scales under pressure with Δs/2.

  6. Electrostatic control of spin polarization in a quantum Hall ferromagnet: a new platform to realize non-Abelian excitations

    NASA Astrophysics Data System (ADS)

    Kazakov, Alexander; Kolkovsky, V.; Adamus, Z.; Karczewski, G.; Wojtowicz, T.; Rokhinson, Leonid

    2015-03-01

    Several experiments detected signatures of Majorana fermions in nanowires, and the focus of current research is shifting toward systems where non-Abelian statistics of excitations can be demonstrated. To achieve this goal we are developing a new platform where non-Abelian excitations can be created and manipulated in a two-dimensional plane, with support for Majorana and higher order non-Abelian excitations. The system is based on CdTe quantum wells non-uniformly doped with paramagnetic impurities, which result in a complicate field-dependence of Zeeman splitting. A unique property of the system is that at high fields we can form a quantum Hall ferromagnet with gate-controllable spin polarization. Helical 1D edge channels formed along the edges of electrostatic gates may support generalized non-Abelian excitations in the fractional qunatum Hall regime, and Majorana and parafermion excitations in the presence of induced superconductivity. We will present results on the gate control of s-d exchange in specially designed heterostructures, demonstrate gate control of spin polarization at filling factor ν = 2 , and show spatial separation of quantum Hall states with different spin polarization using lithographically defined gates.

  7. Spin-orbit excitations and electronic structure of the putative Kitaev magnet α -RuCl3

    NASA Astrophysics Data System (ADS)

    Sandilands, Luke J.; Tian, Yao; Reijnders, Anjan A.; Kim, Heung-Sik; Plumb, K. W.; Kim, Young-June; Kee, Hae-Young; Burch, Kenneth S.

    2016-02-01

    Mott insulators with strong spin-orbit coupling have been proposed to host unconventional magnetic states, including the Kitaev quantum spin liquid. The 4 d system α -RuCl3 has recently come into view as a candidate Kitaev system, with evidence for unusual spin excitations in magnetic scattering experiments. We apply a combination of optical spectroscopy and Raman scattering to study the electronic structure of this material. Our measurements reveal a series of orbital excitations involving localized total angular momentum states of the Ru ion, implying that strong spin-orbit coupling and electron-electron interactions coexist in this material. Analysis of these features allows us to estimate the spin-orbit coupling strength, as well as other parameters describing the local electronic structure, revealing a well-defined hierarchy of energy scales within the Ru d states. By comparing our experimental results with density functional theory calculations, we also clarify the overall features of the optical response. Our results demonstrate that α -RuCl3 is an ideal material system to study spin-orbit coupled magnetism on the honeycomb lattice.

  8. Spin Excitations in BaFe1.84Co0.16As2 Superconductor Observed byInelastic Neutron Scattering

    SciTech Connect

    Parshall, Daniel; Lokshin, Konstantin A; Niedziela, Jennifer L; Christianson, Andrew D; Lumsden, Mark D; Mook Jr, Herbert A; Nagler, Stephen E; McGuire, Michael A; Stone, Matthew B; Abernathy, Douglas L; Safa-Sefat, Athena; Sales, Brian C; Mandrus, David; Egami, Takeshi

    2009-01-01

    Superconductivity appears to compete against the spin density wave in Fe pnictides. But the optimally doped samples show a quasitwodimensional spin excitation centered at the (0.5, 0.5, L) wavevector, the spin resonance peak , that is strongly tied to the onset of superconductivity. By inelastic neutron scattering on single crystals we show the similarities and differences of the spin excitations in BaFe1.84Co0.16As2,with respect to the spin excitations in the cuprates that exhibit hightemperature superconductivity. Unlike in the cuprates the resonance peak in this compound is asymmetric in energy, but as in the cuprates the resonance occurs as an enhancement to a part of the spin excitation spectrum which extends to higher energy and higher temperature. PACS # 74.70.b, 74.20.Mn, 78.70.Nx, 74.25.Ha

  9. Simulations of molecular dynamics in solid-state NMR spectra of spin-1 nuclei including effects of CSA- and EFG-terms up to second order.

    PubMed

    Larsen, Flemming H

    2007-04-01

    By numerical simulations MAS and QCPMG methods for acquiring spectra of spin-1 nuclei were compared in order to determine the most sensitive experiment for analysis of molecular dynamics. To comply with the large quadrupolar constants for 14N and the CSA reported for 6Li both of these interactions are included up to second order. For 2H and 6Li both QCPMG and single-pulse MAS experiments were suitable for dynamics studies whereas the single-pulse MAS experiment were the method of choice for investigation of 14N dynamics for C(Q)'s larger than 750kHz at 14.1T. This property prohibits excitation of the 14N lineshape using either single hard or softer composite rf-pulses. Focusing on 14N it was demonstrated that the centerband lineshape is sensitive toward both off-MAS and CSA effects. In addition, excitation by real-time pulses showed that proper lineshapes corresponding to a site with a C(Q) of 3MHz may be excited by a very short pulse. PMID:17418539

  10. Orphan spin operators enable the acquisition of multiple 2D and 3D magic angle spinning solid-state NMR spectra

    NASA Astrophysics Data System (ADS)

    Gopinath, T.; Veglia, Gianluigi

    2013-05-01

    We propose a general method that enables the acquisition of multiple 2D and 3D solid-state NMR spectra for U-13C, 15N-labeled proteins. This method, called MEIOSIS (Multiple ExperIments via Orphan SpIn operatorS), makes it possible to detect four coherence transfer pathways simultaneously, utilizing orphan (i.e., neglected) spin operators of nuclear spin polarization generated during 15N-13C cross polarization (CP). In the MEIOSIS experiments, two phase-encoded free-induction decays are decoded into independent nuclear polarization pathways using Hadamard transformations. As a proof of principle, we show the acquisition of multiple 2D and 3D spectra of U-13C, 15N-labeled microcrystalline ubiquitin. Hadamard decoding of CP coherences into multiple independent spin operators is a new concept in solid-state NMR and is extendable to many other multidimensional experiments. The MEIOSIS method will increase the throughput of solid-state NMR techniques for microcrystalline proteins, membrane proteins, and protein fibrils.

  11. Triplet excited state spectra and dynamics of carotenoids from the thermophilic purple photosynthetic bacterium Thermochromatium tepidum

    SciTech Connect

    Niedzwiedzki, Dariusz; Kobayashi, Masayuki; Blankenship, R. E.

    2011-01-13

    Light-harvesting complex 2 from the anoxygenic phototrophic purple bacterium Thermochromatium tepidum was purified and studied by steady-state absorption, fluorescence and flash photolysis spectroscopy. Steady-state absorption and fluorescence measurements show that carotenoids play a negligible role as supportive energy donors and transfer excitation to bacteriochlorophyll-a with low energy transfer efficiency of ~30%. HPLC analysis determined that the dominant carotenoids in the complex are rhodopin and spirilloxanthin. Carotenoid excited triplet state formation upon direct (carotenoid) or indirect (bacteriochlorophyll-a Q{sub x} band) excitation shows that carotenoid triplets are mostly localized on spirilloxanthin. In addition, no triplet excitation transfer between carotenoids was observed. Such specific carotenoid composition and spectroscopic results strongly suggest that this organism optimized carotenoid composition in the light-harvesting complex 2 in order to maximize photoprotective capabilities of carotenoids but subsequently drastically suppressed their supporting role in light-harvesting process.

  12. Excitation spectra of bosons in optical lattices from the Schwinger-Keldysh calculation

    SciTech Connect

    Grass, T. D.; Santos, F. E. A. dos; Pelster, A.

    2011-07-15

    Within the Schwinger-Keldysh formalism we derive a Ginzburg-Landau theory for the Bose-Hubbard model which describes the real-time dynamics of the complex order parameter field. Analyzing the excitations in the vicinity of the quantum phase transition, it turns out that particle-hole dispersions in the Mott phase map continuously onto corresponding amplitude-phase excitations in the superfluid phase, which have been detected recently by Bragg spectroscopy measurements.

  13. Collective spin excitations in bicomponent magnonic crystals consisting of bilayer permalloy/Fe nanowires

    NASA Astrophysics Data System (ADS)

    Gubbiotti, G.; Tacchi, S.; Madami, M.; Carlotti, G.; Yang, Z.; Ding, J.; Adeyeye, A. O.; Kostylev, M.

    2016-05-01

    In the developing field of magnonics, it is very important to achieve tailoring of spin wave propagation by both a proper combination of materials with different magnetic properties and their nanostructuring on the submicrometric scale. With this in mind, we have exploited deep ultraviolet lithography, in combination with the tilted shadow deposition technique, to fabricate arrays of closely spaced bilayer nanowires (NWs), with separation d =100 nm and periodicity a =440 nm , having bottom and top layers made of permalloy and iron, respectively. The NWs have either a "rectangular" cross section (bottom and upper layers of equal width) or an "L-shaped" cross section (upper layer of half width). The frequency dispersion of collective spin wave excitations in the above bilayered NW arrays has been measured by the Brillouin light-scattering technique while sweeping the wave vector perpendicularly to the wire length over three Brillouin zones of the reciprocal space. For the rectangular NWs, the lowest-frequency fundamental mode, characterized by a quasiuniform profile of the amplitude of the dynamic magnetization across the NW width, exhibits a sizable and periodic frequency dispersion. A similar dispersive mode is also present in L-shaped NWs, but the mode amplitude is concentrated in the thin side of the NWs. The width and the center frequency of the magnonic band associated with the above fundamental modes have been analyzed, showing that both can be tuned by varying the external applied field. Moreover, for the L-shaped NWs it is shown that there is also a second dispersive mode, at higher frequency, characterized by an amplitude concentrated in the thick side of the NW. These experimental results have been quantitatively reproduced by an original numerical model that includes a two-dimensional Green's function description of the dipole field of the dynamic magnetization and interlayer exchange coupling between the layers.

  14. Excitation spectra of unconventional FQHE states in the SLL from Light Scattering Experiments

    NASA Astrophysics Data System (ADS)

    Wurstbauer, Ursula; Levy, Antonio; Pinczuk, Aron; Watson, John; Gardner, Geoff; Manfra, Michael; West, Ken; Pfeiffer, Loren

    The fascinating interaction physics in the second Landau level (SLL) supports the emergence of exotic quantum phases and unconventional possibly FQHE states such as e.g. at ν = 5/2 and 2 +1/3 and the weaker state at ν = 2 +3/8 and 2 +2/5. We observe clear signatures for gapped collective excitations in inelastic light scattering experiments just for these `magic' filling factors and only for low temperatures substantiating access to the physics of the incompressible quantum fluids. The lowest excitation feature in the spectrum at 2 +1/3 occurs at around 70 μeV. The analysis of spectral lineshapes suggests magnetoroton features that are characteristic of 2D neutral excitations in a perpendicular magnetic field. The striking polarization dependence observable in light scattering experiments in the SLL are consistent with nematic FQHE states. Supported by award NSF-DMR-1306976.

  15. The mutable nature of particle-core excitations with spin in the one-valence-proton nucleus 133Sb

    NASA Astrophysics Data System (ADS)

    Bocchi, G.; Leoni, S.; Fornal, B.; Colò, G.; Bortignon, P. F.; Bottoni, S.; Bracco, A.; Michelagnoli, C.; Bazzacco, D.; Blanc, A.; de France, G.; Jentschel, M.; Köster, U.; Mutti, P.; Régis, J.-M.; Simpson, G.; Soldner, T.; Ur, C. A.; Urban, W.; Fraile, L. M.; Lozeva, R.; Belvito, B.; Benzoni, G.; Bruce, A.; Carroll, R.; Cieplicka-Oryǹczak, N.; Crespi, F. C. L.; Didierjean, F.; Jolie, J.; Korten, W.; Kröll, T.; Lalkovski, S.; Mach, H.; Mărginean, N.; Melon, B.; Mengoni, D.; Million, B.; Nannini, A.; Napoli, D.; Olaizola, B.; Paziy, V.; Podolyák, Zs.; Regan, P. H.; Saed-Samii, N.; Szpak, B.; Vedia, V.

    2016-09-01

    The γ-ray decay of excited states of the one-valence-proton nucleus 133Sb has been studied using cold-neutron induced fission of 235U and 241Pu targets, during the EXILL campaign at the ILL reactor in Grenoble. By using a highly efficient HPGe array, coincidences between γ-rays prompt with the fission event and those delayed up to several tens of microseconds were investigated, allowing to observe, for the first time, high-spin excited states above the 16.6 μs isomer. Lifetimes analysis, performed by fast-timing techniques with LaBr3(Ce) scintillators, revealed a difference of almost two orders of magnitude in B(M1) strength for transitions between positive-parity medium-spin yrast states. The data are interpreted by a newly developed microscopic model which takes into account couplings between core excitations (both collective and non-collective) of the doubly magic nucleus 132Sn and the valence proton, using the Skyrme effective interaction in a consistent way. The results point to a fast change in the nature of particle-core excitations with increasing spin.

  16. Electronic state-lifetime interference in resonant Auger spectra: a tool to disentangle overlapping core-excited states.

    PubMed

    Goldsztejn, Gildas; Marchenko, Tatiana; Céolin, Denis; Journel, Loïc; Guillemin, Renaud; Rueff, Jean-Pascal; Kushawaha, Rajesh K; Püttner, Ralph; Piancastelli, Maria Novella; Simon, Marc

    2016-06-01

    We have measured resonant-Auger decay following Cl 1s(-1) excitations in HCl and CH3Cl molecules, and extracted the pseudo-cross sections of different Cl 2p(-2) final states. These cross sections show clear evidence of shake processes as well as contributions of electronic state-lifetime interference (ELI). To describe the spectra we developed a fit approach that takes into account ELI contributions and ultrafast nuclear dynamics in dissociative core-excited states. Using this approach we utilized the ELI contributions to obtain the intensity ratios of the overlapping states Cl 1s(-1)4pπ/1s(-1)4pσ in HCl and Cl 1s(-1)4pe/1s(-1)4pa1 in CH3Cl. The experimental value for HCl is compared with theoretical results showing satisfactory agreement. PMID:27199185

  17. Nuclear response theory for spin-isospin excitations in a relativistic quasiparticle-phonon coupling framework

    NASA Astrophysics Data System (ADS)

    Robin, Caroline; Litvinova, Elena

    2016-07-01

    A new theoretical approach to spin-isospin excitations in open-shell nuclei is presented. The developed method is based on the relativistic meson-exchange nuclear Lagrangian of Quantum Hadrodynamics and extends the response theory for superfluid nuclear systems beyond relativistic quasiparticle random phase approximation in the proton-neutron channel (pn-RQRPA). The coupling between quasiparticle degrees of freedom and collective vibrations (phonons) introduces a time-dependent effective interaction, in addition to the exchange of pion and ρ -meson taken into account without retardation. The time-dependent contributions are treated in the resonant time-blocking approximation, in analogy to the previously developed relativistic quasiparticle time-blocking approximation (RQTBA) in the neutral (non-isospin-flip) channel. The new method is called proton-neutron RQTBA (pn-RQTBA) and is applied to the Gamow-Teller resonance in a chain of neutron-rich nickel isotopes 68-78Ni . A strong fragmentation of the resonance along with quenching of the strength, as compared to pn-RQRPA, is obtained. Based on the calculated strength distribution, beta-decay half-lives of the considered isotopes are computed and compared to pn-RQRPA half-lives and to experimental data. It is shown that a considerable improvement of the half-life description is obtained in pn-RQTBA because of the spreading effects, which bring the lifetimes to a very good quantitative agreement with data.

  18. Electronic absorption spectra and solvatochromic shifts by the vertical excitation model: solvated clusters and molecular dynamics sampling.

    PubMed

    Marenich, Aleksandr V; Cramer, Christopher J; Truhlar, Donald G

    2015-01-22

    A physically realistic treatment of solvatochromic shifts in liquid-phase electronic absorption spectra requires a proper account for various short- and long-range equilibrium and nonequilibrium solute-solvent interactions. The present article demonstrates that such a treatment can be accomplished using a mixed discrete-continuum approach based on the two-time-scale self-consistent state-specific vertical excitation model (called VEM) for electronic excitation in solution. We apply this mixed approach in combination with time-dependent density functional theory to compute UV/vis absorption spectra in solution for the n → π* ((1)A2) transition for acetone in methanol and in water, the π → π* ((1)A1) transition for para-nitroaniline (PNA) in methanol and in water, the n → π* ((1)B1) transition for pyridine in water, and the n → π* ((1)B1) transition for pyrimidine in water. Hydrogen bonding and first-solvation-shell-specific complexation are included by means of explicit solvent molecules, and solute-solvent dispersion is included by using the solvation model with state-specific polarizability (SMSSP). Geometries of microsolvated clusters were treated in two different ways, (i) using single liquid-phase global-minimum solute-solvent clusters containing up to two explicit solvent molecules and (ii) using solute-solvent cluster snapshots derived from molecular dynamics (MD) trajectories. The calculations in water involve using VEM/TDDFT excitation energies and oscillator strengths computed over 200 MD-derived solute-solvent clusters and convoluted with Gaussian functions. We also calculate ground- and excited-state dipole moments for interpretation. We find that inclusion of explicit solvent molecules generally improves the agreement with experiment and can be recommended as a way to include the effect of hydrogen bonding in solvatochromic shifts. PMID:25159827

  19. Raman spectra of normal and cancerous mouse mammary gland tissue using near infrared excitation energy

    NASA Astrophysics Data System (ADS)

    Naik, Vaman; Serhatkulu, G. K.; Dai, H.; Shukla, N.; Weber, R.; Thakur, J. S.; Freeman, D. C.; Pandya, A. K.; Auner, G. W.; Naik, R.; Miller, R. F.; Cao, A.; Klein, M. D.; Rabah, R.

    2006-03-01

    Raman spectra of normal mammary gland tissues, malignant mammary gland tumors, and lymph nodes have been recorded using fresh tissue from mice. Tumors were induced in mice by subcutaneously injecting 4T1 BALB/c mammary tumor (a highly malignant) cell line. The Raman spectra were collected using the same tissues that were examined by histopathology for determining the cancerous/normal state of the tissue. Differences in various peak intensities, peak shifts and peak ratios were analyzed to determine the Raman spectral features that differentiate mammary gland tumors from non-tumorous tissue. Tissues that were confirmed by pathology as cancerous (tumors) show several distinctive features in the Raman spectra compared to the spectra of the normal tissues. For example, the cancerous tissues show Raman peaks at 621, 642, 1004, 1032, 1175 and 1208 cm-1 that are assignable to amino acids containing aromatic side-chains such as phenylalanine, tryptophan and tyrosine. Further, the cancerous tissues show a greatly reduced level of phospholipids compared to the normal tissues. The Raman spectral regions that are sensitive to pathologic alteration in the tissue will be discussed.

  20. High-spin states in the semimagic nucleus 89Y and neutron-core excitations in the N =50 isotones

    NASA Astrophysics Data System (ADS)

    Li, Z. Q.; Wang, S. Y.; Niu, C. Y.; Qi, B.; Wang, S.; Sun, D. P.; Liu, C.; Xu, C. J.; Liu, L.; Zhang, P.; Wu, X. G.; Li, G. S.; He, C. Y.; Zheng, Y.; Li, C. B.; Yu, B. B.; Hu, S. P.; Yao, S. H.; Cao, X. P.; Wang, J. L.

    2016-07-01

    The semimagic nucleus 89Y 89 has been investigated using the 82Se(11>B,4 n ) reaction at beam energies of 48 and 52 MeV. More than 24 new transitions have been identified, leading to a considerable extension of the level structures of 89Y. The experimental results are compared with the large-basis shell model calculations. They show that cross-shell neutron excitations play a pivotal role in high-spin level structures of 89Y. The systematic features of neutron-core excitations in the N =50 isotones are also discussed.

  1. Effect of Fermi surface nesting on resonant spin excitations in Ba{<_1-x}K{<_x}Fe{<_2}As{<_2}.

    SciTech Connect

    Castellan, J.-P.; Rosenkranz, S.; Goremychkin, E.A.; Chung, D.Y.; Todorov, I.S.; Kanatzidis, M.G.; Eremin, I.; Knolle, J.; Chubukov, A.V.; Maiti, s.; Norman, M.R.; Weber, F.; Claus, H.; Guidi, T.; Bewley, R.I.; Osborn, R.

    2011-01-01

    We report inelastic neutron scattering measurements of the resonant spin excitations in Ba{sub 1-x}K{sub x}Fe{sub 2}As{sub 2} over a broad range of electron band filling. The fall in the superconducting transition temperature with hole doping coincides with the magnetic excitations splitting into two incommensurate peaks because of the growing mismatch in the hole and electron Fermi surface volumes, as confirmed by a tight-binding model with s{sub {+-}}-symmetry pairing. The reduction in Fermi surface nesting is accompanied by a collapse of the resonance binding energy and its spectral weight, caused by the weakening of electron-electron correlations.

  2. A generalized tool for accurate time-domain separation of excited modes in spin-torque oscillators

    SciTech Connect

    Siracusano, Giulio Puliafito, Vito; Finocchio, Giovanni

    2014-05-07

    We propose and develop an advanced signal processing technique that, combined with micromagnetic simulations, is able to deeply describe the non-stationary behavior of spin-torque oscillators, both in terms of time domain and spatial distribution of the magnetization dynamics. The Hilbert-Huang Transform is used for the identification of the time traces of each oscillation in a multimode excitation and enhanced with masking signals and the Ensemble Empirical Mode Decomposition. We emphasize that the technique developed here is general and can be used for any physical non-linear system in the presence of multimode dynamical excitation or intermittence.

  3. Correlation between electron spin resonance spectra and oil yield in eastern oil shales

    USGS Publications Warehouse

    Choudhury, M.; Rheams, K.F.; Harrell, J.W., Jr.

    1986-01-01

    Organic free radical spin concentrations were measured in 60 raw oil shale samples from north Alabama and south Tennessee and compared with Fischer assays and uranium concentrations. No correlation was found between spin concentration and oil yield for the complete set of samples. However, for a 13 sample set taken from a single core hole, a linear correlation was obtained. No correlation between spin concentration and uranium concentration was found. ?? 1986.

  4. Momentum-Resolved Spin Dynamics of Bulk and Surface Excited States in the Topological Insulator Bi2Se3

    NASA Astrophysics Data System (ADS)

    Cacho, C.; Crepaldi, A.; Battiato, M.; Braun, J.; Cilento, F.; Zacchigna, M.; Richter, M. C.; Heckmann, O.; Springate, E.; Liu, Y.; Dhesi, S. S.; Berger, H.; Bugnon, Ph.; Held, K.; Grioni, M.; Ebert, H.; Hricovini, K.; Minár, J.; Parmigiani, F.

    2015-03-01

    The prospect of optically inducing and controlling a spin-polarized current in spintronic devices has generated wide interest in the out-of-equilibrium electronic and spin structure of topological insulators. In this Letter we show that only measuring the spin intensity signal over several orders of magnitude by spin-, time-, and angle-resolved photoemission spectroscopy can provide a comprehensive description of the optically excited electronic states in Bi2Se3. Our experiments reveal the existence of a surface resonance state in the second bulk band gap that is benchmarked by fully relativistic ab initio spin-resolved photoemission calculations. We propose that the newly reported state plays a major role in the ultrafast dynamics of the system, acting as a bottleneck for the interaction between the topologically protected surface state and the bulk conduction band. In fact, the spin-polarization dynamics in momentum space show that these states display macroscopically different temperatures and, more importantly, different cooling rates over several picoseconds.

  5. Optimization strategies for a fluorescent dye with bimodal excitation spectra: application to semiautomated proteomics

    NASA Astrophysics Data System (ADS)

    Patton, Wayne F.; Berggren, Kiera N.; Lopez, Mary F.

    2001-04-01

    Facilities engaged in proteome analysis differ significantly in the degree that they implement automated systems for high-throughput protein characterization. Though automated workstation environments are becoming more routine in the biotechnology and pharmaceutical sectors of industry, university-based laboratories often perform these tasks manually, submitting protein spots excised from polyacrylamide gels to institutional core facilities for identification. For broad compatibility with imaging platforms, an optimized fluorescent dye developed for proteomics applications should be designed taking into account that laser scanners use visible light excitation and that charge-coupled device camera systems and gas discharge transilluminators rely upon UV excitation. The luminescent ruthenium metal complex, SYPRO Ruby protein gel stain, is compatible with a variety of excitation sources since it displays intense UV (280 nm) and visible (470 nm) absorption maxima. Localization is achieved by noncovalent, electrostatic and hydrophobic binding of dye to proteins, with signal being detected at 610 nm. Since proteins are not covalently modified by the dye, compatibility with downstream microchemical characterization techniques such as matrix-assisted laser desorption/ionization-mass spectrometry is assured. Protocols have been devised for optimizing fluorophore intensity. SYPRO Ruby dye outperforms alternatives such as silver staining in terms of quantitative capabilities, compatibility with mass spectrometry and ease of integration into automated work environments.

  6. Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. I. C60, C59N+, and C48N12: theory and experiment.

    PubMed

    Xie, Rui-Hua; Bryant, Garnett W; Sun, Guangyu; Nicklaus, Marc C; Heringer, David; Frauenheim, Th; Manaa, M Riad; Smith, Vedene H; Araki, Yasuyuki; Ito, Osamu

    2004-03-15

    Low-energy excitations and optical absorption spectrum of C(60) are computed by using time-dependent (TD) Hartree-Fock, TD-density functional theory (TD-DFT), TD DFT-based tight-binding (TD-DFT-TB), and a semiempirical Zerner intermediate neglect of diatomic differential overlap method. A detailed comparison of experiment and theory for the excitation energies, optical gap, and absorption spectrum of C(60) is presented. It is found that electron correlations and correlation of excitations play important roles in accurately assigning the spectral features of C(60), and that the TD-DFT method with nonhybrid functionals or a local spin density approximation leads to more accurate excitation energies than with hybrid functionals. The level of agreement between theory and experiment for C(60) justifies similar calculations of the excitations and optical absorption spectrum of a monomeric azafullerene cation C(59)N(+), to serve as a spectroscopy reference for the characterization of carborane anion salts. Although it is an isoelectronic analogue to C(60), C(59)N(+) exhibits distinguishing spectral features different from C(60): (1) the first singlet is dipole-allowed and the optical gap is redshifted by 1.44 eV; (2) several weaker absorption maxima occur in the visible region; (3) the transient triplet-triplet absorption at 1.60 eV (775 nm) is much broader and the decay of the triplet state is much faster. The calculated spectra of C(59)N(+) characterize and explain well the measured ultraviolet-visible (UV-vis) and transient absorption spectra of the carborane anion salt [C(59)N][Ag(CB(11)H(6)Cl(6))(2)] [Kim et al., J. Am. Chem. Soc. 125, 4024 (2003)]. For the most stable isomer of C(48)N(12), we predict that the first singlet is dipole-allowed, the optical gap is redshifted by 1.22 eV relative to that of C(60), and optical absorption maxima occur at 585, 528, 443, 363, 340, 314, and 303 nm. We point out that the characterization of the UV-vis and transient absorption

  7. [Density functional theory study of surface-enhanced raman spectra and excited state of 1,4-benzenedithiol].

    PubMed

    Shao, Yang-Fan; Li, Chong-Yang; Feng, Yuan-Ming; Lin, Wang

    2014-02-01

    Raman scattering spectra and optimized geometries of the 1,4-benzenedithiol molecule and complexes have been calculated using density functional theory (DFT) with B3LYP functional at the level of 6-311G+(d) basis set for C, H, S atoms and LanL2DZ for Ag, Au atoms, respectively. The optimized 1,4-benzenedithiol molecule was non-planar structure and the angle between benzene ring plane and S-H is 20.20. By means of the simulation of molecule adsorbed on gold and silver cluster, we concluded that gold clusters are nearly parallel to the benzenedithiol molecule and silver clusters are almost perpendicular to the molecular surface. The authors studied the interaction between Raman intensity and molecular properties, such as static polarizablity and charge distribution. The Raman intensity of 1,4-BDT-Au2, 1,4-BDT-Ag2 and Ag2-1,4-BDT-Au2 were in good agreement with static polarizability. The excited states of Ag2-1,4-BDT-Au2 complex were calculated using time-dependent density functional theory (TDDFT). And the simulated absorption spectra and several allowed singlet excited states were analyzed to investigate the surface-enhanced Raman chemical enhancement mechanism. PMID:24822413

  8. Electron-Impact Cross Sections for Dipole- and Spin-Allowed Excitations of Hydrogen, Helium, and Lithium

    PubMed Central

    Stone, Philip M.; Kim, Yong-Ki; Desclaux, J. P.

    2002-01-01

    Electron-impact excitation cross sections are presented for the dipole- and spin allowed transitions from the ground states to the np 2P states for hydrogen and lithium, and to the 1snp 1P states for helium, n = 2 through 10. Two scaling formulas developed earlier by Kim [Phys. Rev. A 64, 032713 (2001)] for plane-wave Born cross sections are used. The scaled Born cross sections are in excellent agreement with available theoretical and experimental data.

  9. Multi-angle Spectra Evolution of Langmuir Turbulence Excited by RF Ionospheric Interactions at HAARP

    NASA Astrophysics Data System (ADS)

    Sheerin, J. P.; Rayyan, N.; Watkins, B. J.; Bristow, W. A.; Spaleta, J.; Watanabe, N.; Golkowski, M.; Bernhardt, P. A.

    2013-12-01

    The high power HAARP HF transmitter is employed to generate and study strong Langmuir turbulence (SLT) in the interaction region of overdense ionospheric plasma. Diagnostics included the Modular UHF Ionospheric Radar (MUIR) sited at HAARP, the SuperDARN-Kodiak HF radar, and HF receivers to record stimulated electromagnetic emissions (SEE). Dependence of diagnostic signals on HAARP HF parameters, including pulselength, duty-cycle, aspect angle, and frequency were recorded. Short pulse, low duty cycle experiments demonstrate control of artificial field-aligned irregularities (AFAI) and isolation of ponderomotive effects. Among the effects observed and studied are: SLT spectra including cascade, collapse, and co-existence spectra and an outshifted plasma line under certain ionospheric conditions. High time resolution studies of the temporal evolution of the plasma line reveal the appearance of an overshoot effect on ponderomotive timescales. Bursty turbulence is observed in the collapse and cascade lines. For the first time, simultaneous multi-angle radar measurements of plasma line spectra are recorded demonstrating marked dependence on aspect angle with the strongest interaction region observed displaced southward of the HF zenith pointing angle. Numerous measurements of the outshifted plasma line are observed. Experimental results are compared to previous high latitude experiments and predictions from recent modeling efforts.

  10. Floquet-Magnus expansion for general N-coupled spins systems in magic-angle spinning nuclear magnetic resonance spectra

    NASA Astrophysics Data System (ADS)

    Mananga, Eugene Stephane; Charpentier, Thibault

    2015-04-01

    In this paper we present a theoretical perturbative approach for describing the NMR spectrum of strongly dipolar-coupled spin systems under fast magic-angle spinning. Our treatment is based on two approaches: the Floquet approach and the Floquet-Magnus expansion. The Floquet approach is well known in the NMR community as a perturbative approach to get analytical approximations. Numerical procedures are based on step-by-step numerical integration of the corresponding differential equations. The Floquet-Magnus expansion is a perturbative approach of the Floquet theory. Furthermore, we address the " γ -encoding" effect using the Floquet-Magnus expansion approach. We show that the average over " γ " angle can be performed for any Hamiltonian with γ symmetry.

  11. Spin fluctuations and excitations in a 2D xy-ferromagnet: CoCl/sub 2/ in graphite

    SciTech Connect

    Wiesler, D.G.; Zabel, H.

    1989-01-01

    We have investigated by neutron scattering the spin fluctuations and excitations in the stage 2 CoCl/sub 2/ -- graphite intercalation compound. This compound has easy-plane anisotropy and sufficiently weak interplanar interaction to qualify as a test material for Kosterlitz-Thouless-Berezinsky type phase transitions. We have carried out quasi-elastic scattering measurements to determine the temperature variation of the spin correlation length /xi/ above the two dimensional ordering transition. We have also probed the dependence on wave vector and temperature of the inelastic scattering cross section, consisting of both a central peak, associated with vortex diffusion, and spin wave, which become strongly damped above the transition temperature. 15 refs., 5 figs.

  12. Magnetic structure and spin excitations in BaMn2Bi2

    SciTech Connect

    Calder, Stuart A.; Saparov, Bayrammurad I; Cao, H. B.; Niedziela, Jennifer L.; Lumsden, Mark D.; Sefat, Athena Safa; Christianson, Andrew D.

    2014-02-19

    We present a single crystal neutron scattering study of BaMn2Bi2, a recently synthesized material with the same ThCr2Si2type structure found in several Fe-based unconventional superconducting materials. We show long range magnetic order, in the form of a G-type antiferromagnetic structure, to exist up to 390 K with an indication of a structural transition at 100 K. Utilizing inelastic neutron scattering we observe a spin-gap of 16 meV, with spin-waves extending up to 55 meV. We find these magnetic excitations are well fit to a J1-J2-Jc Heisenberg model and present values for the exchange interactions. The spin wave spectrum appears to be unchanged by the 100 K structural phase transition.

  13. Solvent Effects on the Electronic Absorption and Fluorescence Spectra of HNP: Estimation of Ground and Excited State Dipole Moments.

    PubMed

    Desai, Vani R; Hunagund, Shirajahammad M; Basanagouda, Mahantesha; Kadadevarmath, Jagadish S; Sidarai, Ashok H

    2016-07-01

    We report the effect of solvents on absorption and fluorescence spectra of biologically active 3(2H)-pyridazinone namely 5-(2-hydroxy-naphthalen-1-yl)-2-phenyl-2H-pyridazin-3-one (HNP) in different solvents at room temperature. The ground and the excited state dipole moments of HNP molecule was estimated from Lippert's, Bakshiev's and Kawski-Chamma-Viallet's equations using the solvatochromic shift method. The ground state dipole moment (μ g ) was also estimated by Guggenheim and Higasi method using the dielectric constant and refractive index of solute at different concentrations, the μ g value obtained from these two methods are comparable to the μ g value obtained by the solvatochromic shift method. The excited state dipole moment (μ e ) is greater than the ground state dipole moment (μ g ), which indicates that the excited state is more polar than the ground state. Further, we have evaluated the change in dipole moment (Δμ) from the solvatochromic shift method and on the basis of molecular-microscopic solvent polarity parameter[Formula: see text], later on the values were compared. PMID:27220623

  14. Soft x-ray emission spectra of lithium fluoride excited by synchrotron radiation

    SciTech Connect

    Tsang, K.L.; Zhang, C.H.; Callcott, T.A.; Arakawa, E.T.; Ederer, D.L.

    1986-01-01

    A core excited Li atom is perhaps the simplest cation defect that can be introduced into LiF. It frequently binds an electron in an electronic state, whose properties dominate both the soft x-ray absorption and soft x-ray emission properties of LiF. This phenomena was examined using a new, very high efficiency, emission spectrometer. Exciton and valence band peaks were observed which decay with time and are replaced by a metallic Li peak at 54 eV.

  15. Analytically useful spectra excited in an atmospheric pressure active nitrogen afterglow

    SciTech Connect

    Rice, G.W.; D'Silva, A.P.; Fassel, V.A.

    1984-03-01

    An atmospheric pressure active nitrogen (APAN) discharge has been utilized for producing characteristic molecular emissions from nonmetallic species introduced into the afterglow region of the discharge. The addition of inorganic S-, P-, B-, Cl-, and Br-containing compounds into the afterglow has resulted in the formation of excited S/sub 2/, PN, BO, NCl, and NBr species, respectively. Intense molecular Br/sub 2/ emission and I/sub 2/ emission, as well as atomic I emission, have also been observed. Preliminary analytical utilization of the molecular or atomic emissions observed revealed that the APAN afterglow may serve as a potentially useful detector for the aforementioned elements.

  16. On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

    SciTech Connect

    Zarycz, M. Natalia C. Provasi, Patricio F.; Sauer, Stephan P. A.

    2015-12-28

    It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH{sub 4}, NH{sub 3}, H{sub 2}O, SiH{sub 4}, PH{sub 3}, SH{sub 2}, C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}. The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states.

  17. On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

    NASA Astrophysics Data System (ADS)

    Zarycz, M. Natalia C.; Provasi, Patricio F.; Sauer, Stephan P. A.

    2015-12-01

    It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH4, NH3, H2O, SiH4, PH3, SH2, C2H2, C2H4, and C2H6. The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states.

  18. Theoretical investigation of the molecular structures and excitation spectra of triphenylamine and its derivatives.

    PubMed

    Sumimoto, Michinori; Yokogawa, Daisuke; Komeda, Masahiro; Yamamoto, Hidetoshi; Hori, Kenji; Fujimoto, Hitoshi

    2011-10-15

    The molecular geometries, electronic structures, and excitation energies of NPh(3), NPh(2)Me, NPhMe(2), and NMe(3), were investigated using DFT and post-Hartree Fock methods. When the structural stabilities of these compounds were compared to results obtained by using MP4(SDQ) method, it was confirmed that the optimized geometries by using MP2 method were sufficiently reliable. The excited states with large oscillator strengths consisted of transition components from the HOMO. It should be noted that the orbitals of the nitrogen atom mix with the π-orbital of the phenyl group in an anti-bonding way in the HOMO, and the orbital energy increases with this mixing. The unoccupied orbitals are generated from bonding and anti-bonding type interactions between the π-orbitals of the phenyl groups; therefore, the number of phenyl groups strongly affects the energy diagram of the compounds studied. The differences in the energy diagram cause a spectral change in these compounds in the ultraviolet region. PMID:21795108

  19. Theoretical investigation of the molecular structures and excitation spectra of triphenylamine and its derivatives

    NASA Astrophysics Data System (ADS)

    Sumimoto, Michinori; Yokogawa, Daisuke; Komeda, Masahiro; Yamamoto, Hidetoshi; Hori, Kenji; Fujimoto, Hitoshi

    2011-10-01

    The molecular geometries, electronic structures, and excitation energies of NPh 3, NPh 2Me, NPhMe 2, and NMe 3, were investigated using DFT and post-Hartree Fock methods. When the structural stabilities of these compounds were compared to results obtained by using MP4(SDQ) method, it was confirmed that the optimized geometries by using MP2 method were sufficiently reliable. The excited states with large oscillator strengths consisted of transition components from the HOMO. It should be noted that the orbitals of the nitrogen atom mix with the π-orbital of the phenyl group in an anti-bonding way in the HOMO, and the orbital energy increases with this mixing. The unoccupied orbitals are generated from bonding and anti-bonding type interactions between the π-orbitals of the phenyl groups; therefore, the number of phenyl groups strongly affects the energy diagram of the compounds studied. The differences in the energy diagram cause a spectral change in these compounds in the ultraviolet region.

  20. Dressing effects in the attosecond transient absorption spectra of doubly excited states in helium

    NASA Astrophysics Data System (ADS)

    Argenti, L.; Jiménez-Galán, Á.; Marante, C.; Ott, C.; Pfeifer, T.; Martín, F.

    2015-06-01

    Strong-field manipulation of autoionizing states is a crucial aspect of electronic quantum control. Recent measurements of the attosecond transient absorption spectrum (ATAS) of helium dressed by a few-cycle visible pulse [C. Ott et al., Nature (London) 516, 374 (2014), 10.1038/nature14026] provide evidence of the inversion of Fano profiles. With the support of accurate ab initio calculations that reproduce the results of the latter experiment, here we investigate the new physics that arise from ATAS when the laser intensity is increased. In particular, we show that (i) previously unnoticed signatures of the dark 2 p21S doubly excited state are observed in the experimental spectrum, (ii) inversion of Fano profiles is predicted to be periodic in the laser intensity, and (iii) the ac Stark shift of the higher terms in the s p2,n + autoionizing series exceeds the ponderomotive energy, which is the result of a genuine two-electron contribution to the polarization of the excited atom.

  1. Many-body calculations of the core excitation spectra of CO and NiCO: Disappearance of the giant shake-up satellite

    NASA Astrophysics Data System (ADS)

    Ohno, M.; Decleva, P.

    1993-05-01

    The carbon and oxygen 1s core excitation spectra of free CO and NiCO are calculated by ab initio 1h1p/1h1p and 2h2p/2h2p configuration interaction (CI) method using an extended basis set. We employed the ground state as well as core-hole relaxed orbitals. For free CO, we obtain a reasonably good description of the electron energy loss spectroscopy (EELS) spectra. The present interpretation of the spectra agrees with others. For NiCO, we obtain a reasonably good description of the near edge x-ray absorption fine structure (NEXAFS) spectra of the CO/Ni(100) system and that of the electron energy loss spectroscopy (EELS) spectra of the gas phase Ni(CO)4 . We show the existence of the Rydberg-derived additional excited states in the NEXAFS spectra of the chemisorbed molecule and give an interpretation of these states. The disappearance of the giant shake-up satellite in the NEXAFS spectra of the adsorbate is explained in terms of the hindrance of the cooperative core-hole screening mechanism in the π* resonantly excited state. The core-hole screening mechanism in the σ* resonantly excited state is also investigated.

  2. Evidence of Polaron Excitations in Low Temperature Raman Spectra of Oxalic Acid Dihydrate.

    PubMed

    Mohaček-Grošev, Vlasta; Grdadolnik, Jože; Hadži, Dušan

    2016-05-12

    Low temperature Raman spectra of oxalic acid dihydrate (8-300 K) for both the polycrystalline and single crystal phase show strong variation with temperature in the interval from 1200 to 2000 cm(-1). Previous low temperature diffraction studies all confirmed the stability of the crystal P21/n phase with no indications of any phase transition, reporting the existence of a strong hydrogen bond between the oxalic acid and a water molecule. A new group of Raman bands in the 1200-1300 cm(-1) interval below 90 K is observed, caused by possible loss of the center of inversion. This in turn could originate either due to disorder in hydroxyl proton positions or due to proton transfer from carboxylic group to water molecule. The hypothesis of proton transfer is further supported by the emergence of new bands centered at 1600 and 1813 cm(-1), which can be explained with vibrations of H3O(+) ions. The broad band at 1600 cm(-1) looses intensity, while the band at 1813 cm(-1) gains intensity on cooling. The agreement between quantum calculations of vibrational spectra and experimentally observed Raman bands of hydronium ions in oxalic acid sesquihydrate crystal corroborates this hypothesis. PMID:27093217

  3. Electron spin resonance observation of dehydration-induced spin excitations in quasi-one-dimensional iodo-bridged diplatinum complexes

    NASA Astrophysics Data System (ADS)

    Tanaka, Hisaaki; Kuroda, Shin-Ichi; Iguchi, Hiroaki; Takaishi, Shinya; Yamashita, Masahiro

    2012-02-01

    Electron spin resonance (ESR) measurements have been performed on a series of quasi-one-dimensional iodo-bridged diplatinum complexes K2[C3H5R(NH3)2][Pt2(pop)4I]·4H2O (pop = P2H2O52-; R = H, CH3, or Cl), where dehydration/rehydration of the crystalline water switches the electronic state reversibly with retention of single crystallinity. We have observed a nonmagnetic nature in as-grown samples, whereas in the dehydrated samples, a clear enhancement of the spin susceptibility has been observed above ˜80 K with the activation energy ranging 50-60 meV. The activated spins originate from isolated Pt3+ state on the chain, as confirmed from the principal g values. Concomitantly, the ESR linewidth exhibits a prominent motional narrowing, suggesting that the activated Pt3+ spins are mobile solitons generated in the doubly degenerate charge-density-wave states of the dehydrated salts.

  4. The pressure, temperature and excitation frequency dependent Raman spectra; and infrared spectra of CuBrSe 3 and CuISe 3

    NASA Astrophysics Data System (ADS)

    Sarfati, Jonathan D.; Burns, Gary R.

    1994-11-01

    Raman and Infrared Spectra of CuBrSe 3 and CuISe 3 have been measured. The fundamentals were assigned by analogy to other adducts of Cu(I) halides and to the Se 6 ring molecule. CuBrSe 3 has two strong Raman bands at 247 and 272 cm -1.; CuISe 3 has two strong bands at 243 and 264 cm -1. The strongest IR bands of CuBrSe 3 and CuISe 3 are at 78 and 74 cm -1 respectively. The wavenumbers of the CuX (X = Br or I) stretching modes agree well with the empirical correlation found between overlineν(CuX) and the CuX bond lengths in adducts of phosphine and amine bases, and are shown to be relatively independent of the nature of the coordinating ligands. The pressure dependences from 0 to 20 kbar and temperature dependences from 10-425 K of the Raman-active phonons were measured. In contrast to allotropes of Se, there was no anomalous behaviour of the A 1-type stretching modes of the Se 6 ring. This shows that the interference of intramolecular Se bonds by intermolecular Se bonds is much reduced by the rings' separation by the (CuBr) x chains or Cu 2I 2 rhombs. The coefficients (∂ overlineν/∂p) T of the external modes are smaller relative to the internal modes than those of rhombohedral Se. The relative intensity of all the Raman bands increased monotonically with decreasing exciting frequency for the range of excitation lines used in this study.

  5. Elementary modes of excitation caused by the quadratic Zeeman term and the sensitivity of spin structures of small spin-2 condensates against the magnetic field

    SciTech Connect

    He, Y. Z.; Bao, C. G.

    2011-12-15

    The response of spin-2 small condensates to an external magnetic field B is studied. The parameters of the interaction are considered as variable. The emphasis is placed on clarifying the modes of excitation caused by the quadratic Zeeman term. The theoretical method used is beyond the mean-field theory. A set of eigenstates with the U(5) superset of SO(5) superset of SO(3) symmetry is introduced to facilitate the analysis. To obtain a quantitative evaluation on the response, the fidelity susceptibility and the B-dependent average populations of spin components have been calculated. Mostly the particle number N=30 is assumed. The effect with a larger or smaller N is also considered. It was found that the sensitivity of the response depends strongly both on the interaction and on the inherent symmetry.

  6. Elementary modes of excitation caused by the quadratic Zeeman term and the sensitivity of spin structures of small spin-2 condensates against the magnetic field

    NASA Astrophysics Data System (ADS)

    He, Y. Z.; Bao, C. G.

    2011-12-01

    The response of spin-2 small condensates to an external magnetic field B is studied. The parameters of the interaction are considered as variable. The emphasis is placed on clarifying the modes of excitation caused by the quadratic Zeeman term. The theoretical method used is beyond the mean-field theory. A set of eigenstates with the U(5)⊃SO(5)⊃SO(3) symmetry is introduced to facilitate the analysis. To obtain a quantitative evaluation on the response, the fidelity susceptibility and the B-dependent average populations of spin components have been calculated. Mostly the particle number N=30 is assumed. The effect with a larger or smaller N is also considered. It was found that the sensitivity of the response depends strongly both on the interaction and on the inherent symmetry.

  7. Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes: I. C60, C59N+ and C48N12

    SciTech Connect

    Xie, R; Bryant, G W; Sun, G; C.Nicklaus, M; Heringer, D; Frauenheim, T; Manaa, M R; Smith, Jr., V H; Araki, Y; Ito, O

    2003-10-02

    Low-energy excitations and optical absorption spectrum of C{sub 60} are computed by using time-dependent (TD) Hartree-Fock (HF), TD-density functional theory (TD-DFT), TD-DFT-based tight-binding (TD-DFT-TB) and a semiempirical ZINDO method. A detailed comparison of experiment and theory for the excitation energies, optical gap and absorption spectrum of C{sub 60} is presented. It is found that electron correlations and collective effects of exciton pairs play important roles in assigning accurately the spectral features of C{sub 60} and the TD-DFT method with non-hybrid functionals or a local spin density approximation leads to more accurate excitation energies than with hybrid functionals. The level of agreement between theory and experiment for C{sub 60} justifies similar calculations of the excitations and optical absorption spectrum of a monomeric azafullerene cation C{sub 59}N{sup +} exhibits distinguishing spectral features different from C{sub 60}: (1) the first singlet is dipole-allowed and the optical gap is redshifted by 1.44 eV; (2) several weaker absorption maxima occur in the visible region; (3) the transient triplet-triplet absorption at 1.60 eV (775 nm) is much broader and the decay of the triplet state is much faster. The calculated spectra of C{sub 59}N{sup +} characterize and explain well our measured ultraviolet-visible (UV-vis) and transient absorption spectra of the carborane anion salt [C{sub 59}N][Ag(CB{sub 11}H{sub 6}Cl{sub 6}){sub 2}]. For the most stable isomer of C{sub 48}N{sub 12}, we predict that the first singlet is dipole-allowed, the optical gap is redshifted by 1.22 eV relative to that of C{sub 60}, and optical absorption maxima occur at 585, 528, 443, 363, 340, 314 and 303 nm. We point out that the characterization of the UV-vis and transient absorption spectra of C{sub 48}N{sub 12} isomers is helpful in distinguishing the isomer structures required for applications in molecular electronics. For C{sub 59}N{sup +} and C{sub 48}N

  8. Solid-State Selective 13C Excitation and Spin Diffusion NMR to Resolve Spatial Dimensions in Plant Cell Walls

    SciTech Connect

    Foston, M.; Katahira, R.; Gjersing, E.; Davis, M. F.; Ragauskas, A. J.

    2012-02-15

    The average spatial dimensions between major biopolymers within the plant cell wall can be resolved using a solid-state NMR technique referred to as a {sup 13}C cross-polarization (CP) SELDOM (selectively by destruction of magnetization) with a mixing time delay for spin diffusion. Selective excitation of specific aromatic lignin carbons indicates that lignin is in close proximity to hemicellulose followed by amorphous and finally crystalline cellulose. {sup 13}C spin diffusion time constants (T{sub SD}) were extracted using a two-site spin diffusion theory developed for {sup 13}C nuclei under magic angle spinning (MAS) conditions. These time constants were then used to calculate an average lower-limit spin diffusion length between chemical groups within the plant cell wall. The results on untreated {sup 13}C enriched corn stover stem reveal that the lignin carbons are, on average, located at distances {approx}0.7-2.0 nm from the carbons in hemicellulose and cellulose, whereas the pretreated material had larger separations.

  9. Spin-wave spectra and stability of the in-plane vortex state in two-dimensional magnetic nanorings

    SciTech Connect

    Mamica, S.

    2013-12-21

    We study theoretically two-dimensional nanorings assumed to have the in-plane vortex magnetic configuration. Using a discrete dipole model we examine the spectrum of normal spin-wave modes vs. the dipolar-to-exchange interaction ratio. We systematize the spin-wave excitations by their azimuthal and radial wave numbers. The lowest-frequency mode, the fundamental (quasiuniform) mode, and the mode hybridization are analyzed; the discussion of the influence of effective pinning at the ring boundaries is provided as well. We study the stability of the in-plane vortex state and discuss the role of the size of the ring and the type of lattice arrangement of the magnetic moments within it. To facilitate comparison with our results we provide the relationships between microscopic parameters, used in our model, and those used in the case of continuous medium.

  10. Terbium chloride--aluminum chloride vapor system. I. Absorption and excitation spectra

    SciTech Connect

    Caird, J.A.; Carnall, W.T.; Hessler, J.P.; Williams, C.W.

    1981-01-15

    The absorption spectrum of the vapor complex formed at elevated temperatures between TbCl/sub 3/ and AlCl/sub 3/ has been measured in the region 20 000--50 000 cm/sup -1/. Oscillator strengths of f--f absorption bands below 37 000 cm/sup -1/ were determined. Strong absorption due to opposite parity 4f/sup 7/5d states was observed in the 37 000 to 50 000 cm/sup -1/ region with a peak molar absorptivity of approximately 500 l/mol cm. Significant additional absorption attributed to a molecular complex was also observed in this region. By measuring the excitation spectrum it was found that the molecular absorption does not appear to lead to fluorescence of the /sup 5/D/sub 4/ state. In contrast, absorption by the 4f/sup 7/5d states does result in strong /sup 5/D/sub 4/ fluorescence.

  11. Exchange-only optimized effective potential calculation of excited state spectra for He and Be atoms.

    SciTech Connect

    Desjarlais, Michael Paul; Muller, Richard Partain

    2006-02-01

    The optimized effective potential (OEP) method allows orbital-dependent functionals to be used in density functional theory (DFT), which, in particular, allows exact exchange formulations of the exchange energy to be used in DFT calculations. Because the exact exchange is inherently self-interaction correcting, the resulting OEP calculations have been found to yield superior band-gaps for condensed-phase systems. Here we apply these methods to the isolated atoms He and Be, and compare to high quality experiments and calculations to demonstrate that the orbital energies accurately reproduce the excited state spectrum for these species. These results suggest that coupling the exchange-only OEP calculations with proper (orbital-dependent or other) correlation functions might allow quantitative accuracy from DFT calculations.

  12. Excitation of XPS spectra from nanoscaled particles by local generation of x-rays

    SciTech Connect

    Mallinson, Christopher F.; Castle, James E.

    2015-09-15

    In preliminary work, the authors have shown that use of an aluminum substrate to support a distribution of copper particles enables their characteristic photoelectrons to be observed within the Auger electron spectrum generated by an incident electron beam. This observation raises the possibility of the use of chemical shifts and the corresponding Auger parameter to identify the chemical states present on the surface of individual submicrometer particles within a mixture. In this context, the technique has an advantage in that, unlike conventional Auger electron spectroscopy, the electron beam does not dwell on the particle but on the substrate adjacent to it. Given the importance, for both medical and toxicological reasons, of the surface composition of such particles, the authors have continued to explore the potential of this development. In this contribution, the authors show that proximal excitation of x-rays is equally successful with magnesium substrates. In some regions of the x-ray photoelectron spectrum, the much larger Auger peaks generated by the electron beam can cause inconvenient clustering of Auger and photoelectron peaks. As in conventional x-ray photoelectron spectroscopy, the ability to switch between Al and Mg sources is useful in such situations. In this context, the authors have extended the studies to iron particles where the authors show that use of Al or Mg substrates, as necessary, can make a contribution to clear identification of individual components in the Fe 2p peaks. For this development in electron spectroscopy to achieve its full potential, it is necessary to optimize the beam conditions used to generate the local x-ray to give good selectivity of a given particle. Measurements made in support of this will be given. Of greater concern is a possible problem of local heating associated with x-ray generation. The authors continue to explore this problem and report some progress in minimizing heating of the particle while maintaining

  13. Use of linear graphs in the analysis of spin diffusion in NOE spectra of macromolecules

    NASA Astrophysics Data System (ADS)

    Majumdar, A.

    Semianalytical expressions have been obtained for the time development of the transient NOE in multispin networks in the ω0τc ≫ 1 limit, which is relevant to macromolecular systems. It is observed that the spin-diffusion function in an n-spin system can be partitioned into two contributions, one which is dependent on the identity of the two spins between which the NOE is being observed and one which is common to all the spins in the network. A method employing linear graphs is demonstrated for determining appropriate coefficients involved in the contributing functions, which are tedious to obtain algebraically. Relevance to errors in the estimation of internuclear distances using the linear approximation is discussed.

  14. GAS-PHASE ELECTRONIC SPECTRA OF POLYACETYLENE CATIONS: RELEVANCE OF HIGHER EXCITED STATES

    SciTech Connect

    Rice, C. A.; Rudnev, V.; Dietsche, R.; Maier, J. P.

    2010-07-15

    Transitions to higher electronic states of polyacetylene cations (HC{sub 2n}H{sup +}, n = 4, 5, 6) have been measured in the gas phase at {approx}20 K. The absorption spectra were obtained using a resonant two-color, two-photon fragmentation technique in an ion trap, allowing a direct comparison between laboratory and astrophysical data. The purpose was to investigate the relevance of such transitions to astronomical observations because the general expectation is that the bands could be too broad due to fast intramolecular processes. It is shown that the origin bands are still narrow enough (1-10 cm{sup -1}) to be considered, especially as the higher-lying transitions often possess large oscillator strengths.

  15. New method for measuring time-resolved spectra of lanthanide emission using square-wave excitation

    SciTech Connect

    Qin, Feng; Zhao, Hua; Cai, Wei; Duan, Qianqian; Zhang, Zhiguo; Cao, Wenwu

    2013-11-15

    A method using modulated continuous wave (CW) visible laser to measure time-resolved fluorescence spectra of trivalent rare-earth ions has been developed. Electro-optic modulator was used to modulate the CW pumping laser with a rise time of 2 μs. CW Nd{sup 3+} lasers were used as examples to present the method. Upconversion dynamic process of Ho{sup 3+} was studied utilizing a 532 nm CW laser. Quantum cutting dynamic process from Tb{sup 3+} to Yb{sup 3+} was analyzed by a 473 nm CW laser. This method can be applied to any CW laser such as He-Ne laser, Ar{sup +} laser, Kr{sup +} laser, Ti:sapphire laser, etc.

  16. Paradigms and challenges for bioapplication of rare earth upconversion luminescent nanoparticles: small size and tunable emission/excitation spectra.

    PubMed

    Sun, Ling-Dong; Wang, Ye-Fu; Yan, Chun-Hua

    2014-04-15

    Rare earth (RE) materials, which are excited in the ultraviolet and emit in the visible light spectrum, are widely used as phosphors for lamps and displays. In the 1960's, researchers reported an abnormal emission phenomenon where photons emitted from a RE element carried more energy than those absorbed, owing to the sequential energy transfer between two RE ions--Yb(3+)-sensitized Er(3+) or Tm(3+)--in the solid state. After further study, researchers named this abnormal emission phenomenon upconversion (UC) emission. More recent approaches take advantage of solution-based synthesis, which allows creation of homogenous RE nanoparticles (NPs) with controlled size and structure that are capable of UC emission. Such nanoparticles are useful for many applications, especially in biology. For these applications, researchers seek small NPs with high upconversion emission intensity. These UCNPs have the potential to have multicolor and tunable emissions via various activators. A vast potential for future development remains by developing molecular antennas and energy transfer within RE ions. We expect UCNPs with optimized spectra behavior to meet the increasing demand of potential applications in bioimaging, biological detection, and light conversion. This Account focuses on efforts to control the size and modulate the spectra of UCNPs. We first review efforts in size control. One method is careful control of the synthesis conditions to manipulate particle nucleation and growth, but more recently researchers have learned that the doping conditions can affect the size of UCNPs. In addition, constructing homogeneous core/shell structures can control nanoparticle size by adjusting the shell thickness. After reviewing size control, we consider how diverse applications impose different requirements on excitation and/or emission photons and review recent developments on tuning of UC spectral profiles, especially the extension of excitation/emission wavelengths and the adjustment

  17. Multiple spectra of electron spin resonance in chiral molecule-based magnets networked by a single chiral ligand

    NASA Astrophysics Data System (ADS)

    Mito, M.; Nagano, T.; Tsuruta, K.; Deguchi, H.; Takagi, S.; Kishine, J.; Yoshida, Y.; Inoue, K.

    2013-10-01

    A molecule-based magnet [Cr(CN)6][Mn(R/S)-pnH(H2O)](H2O) (termed R/S-GN) is a chiral crystal without an inversion center and mirror reflection, and its structural network is constructed using a chiral ligand diaminopropane (R/S)-pn. In S-GN, multiple spectra of ESR were observed below the magnetic ordering temperature by Morgunov et al. [Phys. Rev. B 77, 184419 (2008)]. They concluded that the phenomenon at the high field side occurred because the incommensurate magnetic structure resulted in a length-controllable superlattice of domain walls (the so-called chiral soliton lattice, CSL) under a dc magnetic field H applied perpendicular to the magnetic chiral axis. However, there multiple spectra were observed even for H nearly parallel to the chiral axis, a-axis, and their interpretation is unreasonable. Thus, we conducted an X-band electron spin resonance (ESR) measurement of R-GN under conditions similar to those of their experiment and performed Fourier spectrum analyses for the data of R-GN as an approach of physical characterization. By using two Lorentz spectra, the main ESR spectra for H // a were reproduced, and furthermore two prominent periodic modes were found by spectrum analyses based on Fourier transform. Two characteristic periods, p1 and p2 (spectra observed below the magnetic ordering temperature are due not to hyperfine structure but magnetic fine structure, and it certainly originates from the existence of plural nonequivalent magnetic sites. Thus, it is unreasonable to consider CSL to explain the multiple ESR spectra observed independently of the field direction, whereas the observed complex spectra appeal wealthy scientific potentiality in chiral crystals.

  18. Effects of antidot shape on the spin wave spectra of two-dimensional Ni{sub 80}Fe{sub 20} antidot lattices

    SciTech Connect

    Mandal, Ruma; Laha, Pinaki; Das, Kaustuv; Saha, Susmita; Barman, Saswati; Raychaudhuri, A. K.; Barman, Anjan

    2013-12-23

    We show that the optically induced spin wave spectra of nanoscale Ni{sub 80}Fe{sub 20} (permalloy) antidot lattices can be tuned by changing the antidot shape. The spin wave spectra also show an anisotropy with the variation of the in-plane bias field orientation. Analyses show this is due to various quantized and extended modes, whose nature changes with the antidot shape and bias field orientation as a result of the variation of the internal magnetic field profile. The observed variation and anisotropy in the spin waves with the internal and external parameters are important for their applications in magnonic devices.

  19. Multi-band Bloch equations and gain spectra of highly excited II-VI semiconductor quantum wells

    SciTech Connect

    Girndt, A.; Jahnke, F.; Knorr, A.; Koch, S.W.; Chow, W.W.

    1997-04-21

    Quasi-equilibrium excitation dependent optical probe spectra of II-VI semiconductor quantum wells at room temperature are investigated within the framework of multi-band semiconductor Bloch equations. The calculations include correlation effects beyond the Hartree-Fock level which describe dephasing, interband Coulomb correlations and band-gap renormalization in second Born approximation. In addition to the carrier-Coulomb interaction, the influence of carrier-phonon scattering and inhomogeneous broadening is considered. The explicit calculation of single particle properties like band structure and dipole matrix elements using k {center_dot} p theory makes it possible to investigate various II-VI material combinations. Numerical results are presented for CdZnSe/ZnSe and CdZnSe/MnZnSSe semiconductor quantum-well systems.

  20. Investigation on the red shift of charge transfer excitation spectra for nano-sized Y 2O 3:Eu 3+

    NASA Astrophysics Data System (ADS)

    Shang, Chunyu; Shang, Xiaohong; Qu, Yuqiu; Li, Meicheng

    2011-01-01

    Based upon the local structure data, the differences of energy bands between bulk and nano-sized Y2O3:Eu3+ have been presented. The volume expansion in nano-sized Y2O3:Eu3+ leads to the shrinkage of band gap and decrease of zero-phonon charge transfer (CT) energy; the enlargement of local disorder in nano-sized Y2O3:Eu3+ leads to the formation of impurity bands and further decrease of zero-phonon CT energy. On the basis of the differences in energy bands, the mechanisms for the decrease of CT energy, i.e., red shift of CT excitation spectra for nano-sized Y2O3:Eu3+ have been clarified.

  1. Rotational Spectra of Urea in its Ground and First Excited Vibrational States

    NASA Astrophysics Data System (ADS)

    Thomas, Jessica; Medvedev, Ivan; Kisiel, Zbigniew

    2014-06-01

    Urea is an important terrestrial bio-molecule, which has been tentatively detected in the interstellar medium. To match the much improved range and sensitivities of modern sub-millimeter telescopes a broad laboratory assay of rotational transitions needs to be recorded in order to aid in the definitive identification of this molecule. This paper focuses on the spectroscopic assignment of the rotational transitions of urea in the 207-500 GHz range which belong to its ground and first excited vibrational states. Remijan, A.J., L.E. Snyder, B.A. McGuire, H.-L. Kuo, L.W. Looney, D.N. Friedel, G.Y. Golubiatnikov, F.J. Lovas, V.V. Ilyushin, E.A. Alekseev, S.F. Dyubko, B.J. McCall, and J.M. Hollis, Observational Results of a Multi-Telescope Campaign in Search of Interstellar Urea [NH22CO]. The Astrophysical Journal, 2014. 783(2): p. 77

  2. Regge spectra of excited mesons, harmonic confinement, and QCD vacuum structure

    NASA Astrophysics Data System (ADS)

    Nedelko, Sergei N.; Voronin, Vladimir E.

    2016-05-01

    An approach to QCD vacuum as a medium describable in terms of a statistical ensemble of almost everywhere homogeneous Abelian (anti-)self-dual gluon fields is briefly reviewed. These fields play the role of the confining medium for color charged fields as well as underline the mechanism of realization of chiral S UL(Nf)×S UR(Nf) and UA(1 ) symmetries. Hadronization formalism based on this ensemble leads to manifestly defined quantum effective meson action. Strong, electromagnetic, and weak interactions of mesons are represented in the action in terms of nonlocal n -point interaction vertices given by the quark-gluon loops averaged over the background ensemble. New systematic results for the mass spectrum and decay constants of radially excited light, heavy-light mesons, and heavy quarkonia are presented. The interrelation between the present approach, models based on ideas of soft-wall anti-de Sitter/QCD, light-front holographic QCD, and the picture of harmonic confinement is outlined.

  3. Pyrolysis of sulfur tetrafluoride over boron: Excited-state rotational spectra and equilibrium structure of fluorothioborine (FBS)

    NASA Astrophysics Data System (ADS)

    Bizzocchi, L.; Esposti, C. Degli

    2001-10-01

    The unstable FBS molecule has been produced in the gas phase by a high-temperature reaction between crystalline boron and sulfur tetrafluoride. Its rotational spectrum has been observed in the millimeter-wave region, from 75 to 460 GHz, for different isotopic species and vibrational states. All the excited states which approximately lie below 1700 cm-1, that are 1000 (F-B stretch), 0110 (FBS bend), 0001 (B=S stretch), 2000, 0200, 0220, 0310, 0330, 0400, 0420, 0440, 1110, 1200, and 1220, have been investigated for the most abundant isotopomer F11B32S. The analysis of the spectra has been performed taking simultaneously into account the Fermi interaction which couples the states ν1,ν2,ν3 with ν1-1, ν2+2,ν3, and l-type resonances between different sublevels of a given vibrational bending state. This procedure allowed us to calculate directly deperturbed parameters and, in addition, yielded reliable estimates of the vibrational energy difference between the interacting levels and of the normal coordinate cubic force constant k122. Rotational spectra in the ground and various excited states have been also recorded and analyzed for the less abundant isotopic species F10B32S, F11B34S, F10B34S, F11B33S, and F10B33S. The very weak spectrum in the 0001 state was successfully observed for the pair of isotopomers F11B32S and F10B32S, whose equilibrium rotational constants could be accurately calculated yielding the first evaluation of the equilibrium structure of fluorothioborine: re(F-B)=1.2762±0.0002 Å and re(B=S)=1.6091±0.0002 Å.

  4. Assessment of the accuracy of shape-consistent relativistic effective core potentials using multireference spin-orbit configuration interaction singles and doubles calculations of the ground and low-lying excited states of U(4+) and U(5+).

    PubMed

    Beck, Eric V; Brozell, Scott R; Blaudeau, Jean-Philippe; Burggraf, Larry W; Pitzer, Russell M

    2009-11-12

    Multireference spin-orbit configuration interaction calculations were used to determine the accuracy of 60-, 68-, and 78-electron shape-consistent relativistic effective core potentials (RECPs) for uranium V and VI ground and low-lying excited states. Both 5f(n) and (5f6d)(n), (n = 1, 2) reference spaces were investigated using correlation-consistent double-zeta quality basis sets. Accuracy was assessed against gas-phase experimental spectra. The 68-electron RECP calculations yielded low relative and rms errors and predicted the empirical ordering of states most consistently. PMID:19888778

  5. Multi-angle Spectra Evolution of Ionospheric Turbulence Excited by RF Interactions at HAARP

    NASA Astrophysics Data System (ADS)

    Sheerin, J. P.; Rayyan, N.; Watkins, B. J.; Watanabe, N.; Golkowski, M.; Bristow, W. A.; Bernhardt, P. A.; Briczinski, S. J., Jr.

    2014-12-01

    The high power HAARP HF transmitter is employed to generate and study strong Langmuir turbulence (SLT) in the interaction region of overdense ionospheric plasma. Diagnostics included the Modular UHF Ionospheric Radar (MUIR) sited at HAARP, the SuperDARN-Kodiak HF radar, and HF receivers to record stimulated electromagnetic emissions (SEE). Dependence of diagnostic signals on HAARP HF parameters, including pulselength, duty-cycle, aspect angle, and frequency were recorded. Short pulse, low duty cycle experiments demonstrate control of artificial field-aligned irregularities (AFAI) and isolation of ponderomotive effects. For the first time, simultaneous multi-angle radar measurements of plasma line spectra are recorded demonstrating marked dependence on aspect angle with the strongest interaction region observed displaced southward of the HF zenith pointing angle. For a narrow range of HF pointing between Spitze and magnetic zenith, a reduced threshold for AFAI is observed. High time resolution studies of the temporal evolution of the plasma line reveal the appearance of an overshoot effect on ponderomotive timescales. Numerous measurements of the outshifted plasma line are observed. Experimental results are compared to previous high latitude experiments and predictions from recent modeling efforts

  6. Fluorescence excitation and emission spectra of ALA-induced protoporphyrin IX in normal and tumoral tissue of the human bladder

    NASA Astrophysics Data System (ADS)

    Forrer, Martin; Glanzmann, Thomas M.; Mizeret, Jerome C.; Braichotte, Daniel; Wagnieres, Georges A.; van den Bergh, Hubert; Jichlinski, Patrice; Leisinger, Hans-Juerg

    1995-01-01

    In vivo spectrofluorometric analysis represents a tool to obtain information about fluorophore distribution in tissue. Based on a Peltier-cooled CCD we designed a fluorescence excitation and emission spectrograph which allows to obtain tissue spectra endoscopically and in a clinical environment. Clinical studies were performed on patients with positive cytology or tumor recurrence in the urinary bladder. Patients received a 50 ml instillation of 3% ALA solution at pH 5.5 during 3 to 4 hours and underwent a normal white light cystoscopic examination together with light induced fluorescence photodetection at 5 to 8 hours after the beginning of the instillation. Local fluorescence measurements with a single fiber were performed before photodetection. These showed fluorescence ratios between tumor and normal tissue of 1.5 to 20 with the strongest ratios for exophytic papillary tumors. Fluorescence excitation between 380 nm and 450 nm revealed that the higher Protoporphyrin IX (PPIX) signal on tumor tissue is accompanied by a decrease of the autofluorescence at the emission wavelength of 500 nm.

  7. Determination of the in vivo redox potential using roGFP and fluorescence spectra obtained from one-wavelength excitation

    NASA Astrophysics Data System (ADS)

    Wierer, S.; Elgass, K.; Bieker, S.; Zentgraf, U.; Meixner, A. J.; Schleifenbaum, F.

    2011-02-01

    The analysis of molecular processes in living (plant) cells such as signal transduction, DNA replication, carbon metabolism and senescence has been revolutionized by the use of green fluorescent protein (GFP) and its variants as specific cellular markers. Many cell biological processes are accompanied by changes in the intracellular redox potential. To monitor the redox potential, a redox-sensitive mutant of GFP (roGFP) was created, which shows changes in its optical properties in response to changes in the redox state of its surrounding medium. For a quantitative analysis in living systems, it is essential to know the optical properties of roGFP in vitro. Therefore, we applied spectrally resolved fluorescence spectroscopy on purified roGFP exposed to different redox potentials to determine shifts in both the absorption and the emission spectra of roGFP. Based on these in vitro findings, we introduce a new approach using one-wavelength excitation to use roGFP for the in vivo analysis of cell biological processes. We demonstrate the ability this technique by investigating chloroplast-located Grx1-roGFP2 expressing Arabidopsis thaliana cells as example for dynamically moving intracellular compartments. This is not possible with the two-wavelength excitation technique established so far, which hampers a quantitative analysis of highly mobile samples due to the time delay between the two measurements and the consequential displacement of the investigated area.

  8. Electronic spectra of azaindole and its excited state mixing: A symmetry-adapted cluster configuration interaction study.

    PubMed

    Arulmozhiraja, Sundaram; Coote, Michelle L; Hasegawa, Jun-ya

    2015-11-28

    Electronic structures of azaindole were studied using symmetry-adapted cluster configuration interaction theory utilizing Dunning's cc-pVTZ basis set augmented with appropriate Rydberg spd functions on carbon and nitrogen atoms. The results obtained in the present study show good agreement with the available experimental values. Importantly, and contrary to previous theoretical studies, the excitation energy calculated for the important n-π(∗) state agrees well with the experimental value. A recent study by Pratt and co-workers concluded that significant mixing of π-π(∗) and n-π(∗) states leads to major change in the magnitude and direction of the dipole moment of the upper state vibrational level in the 0,0 + 280 cm(-1) band in the S1←S0 transition when compared to that of the zero-point level of the S1 state. The present study, however, shows that all the four lowest lying excited states, (1)Lb π-π(∗), (1)La π-π(∗), n-π(∗), and π-σ(∗), cross each other in one way or another, and hence, significant state mixing between them is likely. The upper state vibrational level in the 0,0 + 280 cm(-1) band in the S1←S0 transition benefits from this four-state mixing and this can explain the change in magnitude and direction of the dipole moment of the S1 excited vibrational level. This multistate mixing, and especially the involvement of π-σ(∗) state in mixing, could also provide a route for hydrogen atom detachment reactions. The electronic spectra of benzimidazole, a closely related system, were also investigated in the present study. PMID:26627956

  9. Electronic spectra of azaindole and its excited state mixing: A symmetry-adapted cluster configuration interaction study

    SciTech Connect

    Arulmozhiraja, Sundaram Coote, Michelle L.; Hasegawa, Jun-ya

    2015-11-28

    Electronic structures of azaindole were studied using symmetry-adapted cluster configuration interaction theory utilizing Dunning’s cc-pVTZ basis set augmented with appropriate Rydberg spd functions on carbon and nitrogen atoms. The results obtained in the present study show good agreement with the available experimental values. Importantly, and contrary to previous theoretical studies, the excitation energy calculated for the important n–π{sup ∗} state agrees well with the experimental value. A recent study by Pratt and co-workers concluded that significant mixing of π-π{sup ∗} and n-π{sup ∗} states leads to major change in the magnitude and direction of the dipole moment of the upper state vibrational level in the 0,0 + 280 cm{sup −1} band in the S{sub 1}←S{sub 0} transition when compared to that of the zero-point level of the S{sub 1} state. The present study, however, shows that all the four lowest lying excited states, {sup 1}L{sub b} π-π{sup ∗}, {sup 1}L{sub a} π-π{sup ∗}, n-π{sup ∗}, and π-σ{sup ∗}, cross each other in one way or another, and hence, significant state mixing between them is likely. The upper state vibrational level in the 0,0 + 280 cm{sup −1} band in the S{sub 1}←S{sub 0} transition benefits from this four-state mixing and this can explain the change in magnitude and direction of the dipole moment of the S{sub 1} excited vibrational level. This multistate mixing, and especially the involvement of π-σ{sup ∗} state in mixing, could also provide a route for hydrogen atom detachment reactions. The electronic spectra of benzimidazole, a closely related system, were also investigated in the present study.

  10. Electronic spectra of azaindole and its excited state mixing: A symmetry-adapted cluster configuration interaction study

    NASA Astrophysics Data System (ADS)

    Arulmozhiraja, Sundaram; Coote, Michelle L.; Hasegawa, Jun-ya

    2015-11-01

    Electronic structures of azaindole were studied using symmetry-adapted cluster configuration interaction theory utilizing Dunning's cc-pVTZ basis set augmented with appropriate Rydberg spd functions on carbon and nitrogen atoms. The results obtained in the present study show good agreement with the available experimental values. Importantly, and contrary to previous theoretical studies, the excitation energy calculated for the important n-π∗ state agrees well with the experimental value. A recent study by Pratt and co-workers concluded that significant mixing of π-π∗ and n-π∗ states leads to major change in the magnitude and direction of the dipole moment of the upper state vibrational level in the 0,0 + 280 cm-1 band in the S1←S0 transition when compared to that of the zero-point level of the S1 state. The present study, however, shows that all the four lowest lying excited states, 1Lb π-π∗, 1La π-π∗, n-π∗, and π-σ∗, cross each other in one way or another, and hence, significant state mixing between them is likely. The upper state vibrational level in the 0,0 + 280 cm-1 band in the S1←S0 transition benefits from this four-state mixing and this can explain the change in magnitude and direction of the dipole moment of the S1 excited vibrational level. This multistate mixing, and especially the involvement of π-σ∗ state in mixing, could also provide a route for hydrogen atom detachment reactions. The electronic spectra of benzimidazole, a closely related system, were also investigated in the present study.

  11. Cross polarization and magic angle sample spinning NMR spectra of model organic compounds. 1. Highly protonated molecules

    SciTech Connect

    Alemany, L.B.; Grant, D.M.; Pugmire, R.J.; Alger, T.D.; Zilm, K.W.

    1983-04-20

    CP/MAS /sup 13/C NMR spectra were obtained at various contact times on ten solid organic compounds containing a variety of simple functional groups. The spectra show that signal intensities that agree with atomic ratios can be obtained with a contact time of 2.25 ms and often with a contact time as short as about 1 ms. Computer analysis of signal intensities obtained at a minimum of ten different contact times provides T/sub CH/ data that are consistent with these experimental results. The experimental results are also consistent with the previously reported lack of significant variation in the spectra of complex organic solids obtained with contact times of about 1 to 3 ms. In general, nonprotonated carbon atoms polarize more slowly than protonated carbon atoms. The compounds exhibit a wide range of proton spin lattice relaxation times. Some compounds exhibit more resonances than are found in the /sup 13/C(/sup 1/H) spectra of the compounds in solution because the crystalline environment removes the nominal spatial equivalence found for carbon atoms related to each other by unimolecular symmetry elements.

  12. X-Ray Spectra of Young Pulsars and Their Wind Nebulae: Dependence on Spin-Down Energy Loss Rate

    NASA Technical Reports Server (NTRS)

    Gotthelf, E. V.

    2003-01-01

    An observational model is presented for the spectra of young rotation-powered pulsars and their nebulae based on a study of nine bright Crab-like pulsar systems observed with the Chandra X-ray observatory. A significant correlation is discovered between the X-ray spectra of these pulsars and that of their associated pulsar wind nebulae, both of which are observed to be a function of the spin-down energy loss rate, E. The 2-10 keV spectra of these objects are well characterized by an absorbed power-law model with photon indices, Gamma, in the range of 0.6 < Gamma (sub PSR) < 2.1 and 1.3 < Gamma(sub PWN) < 2.3, for the pulsars and their nebulae, respectively. A linear regression fit relating these two sets of indexes yields Gamma(sub PWN) = 0.91 +/- 0.18 + (0.66 +/- 0.11) Gamma (sub PSR), with a correlation coefficient of r = 0.97. The spectra of these pulsars are found to steepen as Gamma = Gamma(sub max) + alpha E (exp -1/2), with Gamma(sub max) providing an observational limit on the spectral slopes of young rotation-powered pulsars. These results reveal basic properties of young pulsar systems, allow new observational constraints on models of pulsar wind emission, and provide a means of predicting the energetics of pulsars lacking detected pulsations.

  13. Light-induced excited spin state trapping and charge transfer in trigonal bipyramidal cyanide-bridged complexes.

    PubMed

    Funck, Kristen E; Prosvirin, Andrey V; Mathonière, Corine; Clérac, Rodolphe; Dunbar, Kim R

    2011-04-01

    Three members of the family of trigonal bipyramidal (TBP) complexes of general formula [M(tmphen)(2)](3)[M'(CN)(6)](2) (tmphen = 3,4,7,8-tetramethyl-1,10-phenanthroline) or [M(3)M'(2)], which are known to exhibit thermally induced spin crossover and charge transfer, have been investigated for optical and photomagnetic properties. The light-induced excited spin-state trapping (LIESST) effect found in classical spin crossover compounds, such as [Fe(phen)(2)(NCS)(2)], was explored for the [Fe(3)Fe(2)] and [Fe(3)Co(2)] compounds. Similarly, inspired by the light-induced charge-transfer properties of K(0.2)Co(1.4)[Fe(CN)(6)]·6.9H(2)O and related Prussian blue materials, the possibility of photo-induced magnetic changes was investigated for the [Co(3)Fe(2)] TBP complex. Optical reflectivity and magnetic susceptibility measurements were used to evaluate the photoactivity of these compounds. A comparison of these data before and after light irradiation demonstrates that (i) the spin crossover of the Fe(II) centers in the [Fe(3)Fe(2)] and [Fe(3)Co(2)] analogues and the (ii) charge transfer events in the [Co(3)Fe(2)] complex occur with temperature and irradiation. In addition, photomagnetic behavior is exhibited by all three compounds. The photo-conversion efficiency has been estimated at 20% of photo-induced high spin Fe(II) centers in [Fe(3)Co(2)], 30% of paramagnetic Co(II)-Fe(III) pairs in [Co(3)Fe(2)], and less than 2% of photo-induced high spin Fe(II) centers in [Fe(3)Fe(2)]. PMID:21391549

  14. Nonlinear magnetic vortex dynamics in a circular nanodot excited by spin-polarized current

    PubMed Central

    2014-01-01

    We investigate analytically and numerically nonlinear vortex spin torque oscillator dynamics in a circular magnetic nanodot induced by a spin-polarized current perpendicular to the dot plane. We use a generalized nonlinear Thiele equation including spin-torque term by Slonczewski for describing the nanosize vortex core transient and steady orbit motions and analyze nonlinear contributions to all forces in this equation. Blue shift of the nano-oscillator frequency increasing the current is explained by a combination of the exchange, magnetostatic, and Zeeman energy contributions to the frequency nonlinear coefficient. Applicability and limitations of the standard nonlinear nano-oscillator model are discussed. PMID:25147490

  15. Non-orthogonal spin-adaptation of coupled cluster methods: A new implementation of methods including quadruple excitations

    SciTech Connect

    Matthews, Devin A.; Stanton, John F.

    2015-02-14

    The theory of non-orthogonal spin-adaptation for closed-shell molecular systems is applied to coupled cluster methods with quadruple excitations (CCSDTQ). Calculations at this level of detail are of critical importance in describing the properties of molecular systems to an accuracy which can meet or exceed modern experimental techniques. Such calculations are of significant (and growing) importance in such fields as thermodynamics, kinetics, and atomic and molecular spectroscopies. With respect to the implementation of CCSDTQ and related methods, we show that there are significant advantages to non-orthogonal spin-adaption with respect to simplification and factorization of the working equations and to creating an efficient implementation. The resulting algorithm is implemented in the CFOUR program suite for CCSDT, CCSDTQ, and various approximate methods (CCSD(T), CC3, CCSDT-n, and CCSDT(Q))

  16. Isospin-spin excitations in the A=58 mass region: The {sup 58}Ni({sup 3}He,t){sup 58}Cu reaction

    SciTech Connect

    Bes, D. R.; Civitarese, O.

    2008-07-15

    The experimental information on isospin-spin excitations around {sup 58}Ni is analyzed by using isoscalar and isovector pairing vibrations, Gamow-Teller (GT) modes, and their couplings. It is found that the proposed coupling scheme accounts for a sizable amount of the strength associated with isospin-spin excitations, which include transitions to both one- and two-phonon states. The calculations are performed within the framework of perturbation theory, accounting for the renormalization of the charge by the collective GT excitations.

  17. Effects of orbital and spin current interference in E1 and M2 nuclear excitations

    SciTech Connect

    Goncharova, N. G.

    2015-12-15

    The interference of contributions from the orbital and spin currents to the E1 and M2 resonances is investigated. The results of the current interference analysis within the shell model are compared with the experimental data.

  18. Computer simulations of the electron spin resonance spectra of steroid and fatty acid nitroxide probes in bilayer systems

    NASA Astrophysics Data System (ADS)

    Eviatar, Hadass; van der Heide, Uulke A.; Levine, Yehudi K.

    1995-02-01

    Monte Carlo dynamics (MCD) techniques are used to simulate the orientational behavior and rotational motion of probe molecules in lipid bilayers. The trajectories of molecular orientations generated from the simulations are then used to calculate the order parameters and the orientational time correlation functions. The behavior of the time correlation functions is compared with the predictions of the rotational diffusion (RDM) and the compound motion (CM) models. The MCD trajectories are also used to produce electron-spin resonance (ESR) spectra, employing a recently developed time-domain algorithm. Two questions which have been the subject of debate in the literature are addressed. The first question concerns the discrepancy between the ability of motional models to describe ESR spectra and fluorescence depolarization measurements on rigid molecules in vesicles—while the RDM does an excellent job of fitting the former, the latter require the CM to describe them properly. It is argued that the key to resolving this lies in the fact that the ESR line shapes are sensitive to the tumbling motions of the long molecular axes as well as to rotational motions about them, while fluorescence anisotropy is blind for the latter. The rotation about the long molecular axis introduces a fast decay into the correlation functions in a way independent of the tumbling motion of the axis. The second question concerns the fidelity of reporting by fatty acid spin probes in lipid bilayers. It is shown that the motion of the bulky hydrophillic doxyl group does not, in fact, reflect the motion of the chains about it and consequently these spin probes cannot be considered good reporters for these applications.

  19. Site-selective excitation and polarized absorption and emission spectra of trivalent thulium and erbium in strontium fluorapatite

    SciTech Connect

    Gruber, J.B.; Wright, A.O.; Seltzer, M.D.; Zandi, B.; Merkle, L.D.; Hutchinson, J.A.; Morrison, C.A.; Allik, T.H.; Chai, B.H.

    1997-05-01

    Polarized fluorescence spectra produced by site-selective excitation and conventional polarized absorption spectra were obtained for Tm{sup 3+} and Er{sup 3+} ions individually incorporated into single crystals of strontium fluorapatite, Sr{sub 5}(PO{sub 4}){sub 3}F. Substitution of the trivalent rare earth ion for divalent strontium was achieved by passive charge compensation during Czochralski growth of the fluorapatite crystals. Spectra were obtained between 1780 and 345 nm at temperatures from 4 K to room temperature on crystals having the hexagonal structure [P6{sub 3}/m(C{sub 6h}{sup 2})]. The polarized fluorescence spectra due to transitions from multiplet manifolds of Tm{sup 3+}(4f{sup 12}), including {sup 1}D{sub 2}, {sup 1}G{sub 4}, and {sup 3}H{sub 4} to manifolds {sup 3}H{sub 6} (the ground-state manifold), {sup 3}F{sub 4}, {sup 3}H{sub 5}, {sup 3}H{sub 4}, and {sup 3}F{sub 3} were analyzed for the details of the crystal-field splitting of the manifolds. Fluorescence lifetimes were measured for Tm{sup 3+} transitions from {sup 1}D{sub 2}, {sup 1}G{sub 4}, and {sup 3}H{sub 4} at room temperature and from {sup 1}G{sub 4} at 16 K. Results of the analysis indicate that the majority of Tm{sup 3+} ions occupy sites having C{sub s} symmetry. A point-charge lattice-sum calculation was made in which the crystal-field components, A{sub nm}, were determined assuming that trivalent thulium replaces divalent strontium in the metal site having C{sub s} symmetry. Results support the conclusion that the nearest-neighbor fluoride (F{sup {minus}}) is replaced by divalent oxygen (O{sup 2{minus}}), thus preserving overall charge neutrality and local symmetry. Crystal-field splitting calculations predict energy levels in agreement with experimental data. By varying the crystal-field parameters, B{sub nm}, we obtained a rms difference of 7cm{sup {minus}1} between 43 calculated and experimental Stark levels for Tm{sup 3+}(4f{sup 12}) in Tm:SFAP. (Abstract Truncated)

  20. Parallel parametric amplification of coherently excited propagating spin waves in a microscopic Ni{sub 81}Fe{sub 19} waveguide

    SciTech Connect

    Brächer, T.; Pirro, P.; Meyer, T.; Heussner, F.; Lägel, B.; Serga, A. A.; Hillebrands, B.

    2014-05-19

    We present parallel parametric amplification of coherently excited, propagating spin waves in a microstructured magnonic Ni{sub 81}Fe{sub 19} waveguide. Amplification is achieved by the pumping field generated by a microwave current flowing through a Cu micro-stripline underneath the waveguide. By employing microfocussed Brillouin light scattering spectroscopy, we investigate the spatial decay of the propagating spin waves and their amplification by means of parallel pumping. We analyze the dependence of the intensity of the amplified spin waves on the spin-wave excitation power, pumping power, and pumping duration, revealing the most efficient working point for a noise-free amplification. This paves the way for a frequency selective amplification of spin waves in microstructured magnonic circuits.

  1. Effect of spin excitations with simultaneous magnetic- and electric-dipole character on the static magnetoelectric properties of multiferroic materials

    NASA Astrophysics Data System (ADS)

    Szaller, Dávid; Bordács, Sándor; Kocsis, Vilmos; Rõõm, Toomas; Nagel, Urmas; Kézsmárki, István

    2014-05-01

    We derive a sum rule to demonstrate that the static magnetoelectric (ME) effect is governed by optical transitions that are simultaneously excited by the electric and magnetic components of light. The ME sum rule is applicable to a broad class of materials lacking the spatial inversion and the time-reversal symmetries, including multiferroic compounds. Due to the dynamical ME effect, the optical excitations in these materials can exhibit directional dichroism, i.e., the absorption coefficient can be different for counter-propagating light beams. According to the ME sum rule, the magnitude of the linear ME effect of a material is mainly determined by the directional dichroism of its low-energy optical excitations. An application of the sum rule to the multiferroic Ba2CoGe2O7, Sr2CoSi2O7, and Ca2CoSi2O7 shows that in these compounds the static ME effect is mostly governed by the directional dichroism of the spin-wave excitations in the giga-terahertz spectral range. On this basis, we argue that the studies of directional dichroism and the application of the ME sum rule promote the synthesis of new materials with large static ME effect.

  2. Quadrupolar magic angle spinning NMR spectra fitted using the Pearson IV function.

    PubMed

    Mironenko, Roman M; Belskaya, Olga B; Talsi, Valentin P; Likholobov, Vladimir A

    2014-01-01

    The Pearson IV function was used to fit the asymmetric solid-state (27)Al NMR spectra of alumina based catalysts. A high convergence (correlation coefficient is no less than 0.997) between experimental and simulated spectra was achieved. The decomposition of the (27)Al NMR spectra of zinc/aluminum mixed oxides with different Zn/Al molar ratio revealed an increased fraction (6-9%) of pentacoordinated aluminum atoms in these oxides as compared to γ-Al2O3. As the Zn/Al ratio is raised, the fraction of [AlO6] octahedral units decreases, while the fraction of [AlO4] tetrahedra increases. PMID:25454293

  3. Time-resolved EPR spectra of the excited triplet states generated from the photoinduced intramolecular proton transfer and from the direct excitation reactions in 2-(N-phenylacetimidoyl)-1-naphthol

    NASA Astrophysics Data System (ADS)

    Tero-Kubota, Shozo; Noguchi, Tetsuji; Katsuki, Akio; Akimaya, Kimio; Ikegami, Yusaku

    1991-12-01

    The excited triplet (T 1) state of the keto tautomer generated from excited state intramolecular proton transfer was observed for 2-(N-phenylacetimidoyl)-1-naphthol using the time-resolved EPR technique in a glassy matrix at 77 K. The direct excitation with the dye laser of the keto tautomer in an EPR matrix was also examined. The principal parameters and the direction of the principal axes for the zero-field splitting tensor were determined from analyses of the magnetophotoselection spectra and semi-empirical SCF-MO calculations.

  4. Research program in nuclear and solid state physics. [including pion absorption spectra and muon spin precession

    NASA Technical Reports Server (NTRS)

    1974-01-01

    The survey of negative pion absorption reactions on light and medium nuclei was continued. Muon spin precession was studied using an iron target. An impulse approximation model of the pion absorption process implied that the ion will absorb almost exclusively on nucleon pairs, single nucleon absorption being suppressed by energy and momentum conservation requirements. For measurements on both paramagnetic and ferromagnetic iron, the external magnetic field was supplied by a large C-type electromagnet carrying a current of about 100 amperes.

  5. Excitation and recombination dynamics of vacancy-related spin centers in silicon carbide

    SciTech Connect

    Hain, T. C.; Hertel, T.; Fuchs, F.; Astakhov, G. V.; Soltamov, V. A.; Baranov, P. G.; Dyakonov, V.

    2014-04-07

    We generate silicon vacancy related defects in high-quality epitaxial silicon carbide layers by means of electron irradiation. By controlling the irradiation fluence, the defect concentration is varied over several orders of magnitude. We establish the excitation profile for optical pumping of these defects and evaluate the optimum excitation wavelength of 770 nm. We also measure the photoluminescence dynamics at room temperature and find a monoexponential decay with a characteristic lifetime of 6.1 ns. The integrated photoluminescence intensity depends linear on the excitation power density up to 20 kW/cm{sup 2}, indicating a relatively small absorption cross section of these defects.

  6. Clues and criteria for designing a Kitaev spin liquid revealed by thermal and spin excitations of the honeycomb iridate Na2IrO3

    NASA Astrophysics Data System (ADS)

    Yamaji, Youhei; Suzuki, Takafumi; Yamada, Takuto; Suga, Sei-ichiro; Kawashima, Naoki; Imada, Masatoshi

    2016-05-01

    Contrary to the original expectation, Na2IrO3 is not a Kitaev's quantum spin liquid (QSL) but shows a zigzag-type antiferromagnetic order in experiments. Here, we propose experimental clues and criteria to measure how a material in hand is close to the Kitaev's QSL state. For this purpose, we systematically study thermal and spin excitations of a generalized Kitaev-Heisenberg model studied by Chaloupka et al., Phys. Rev. Lett. 110, 097204 (2013), 10.1103/PhysRevLett.110.097204 and an effective ab initio Hamiltonian for Na2IrO3 proposed by Yamaji et al., Phys. Rev. Lett. 113, 107201 (2014), 10.1103/PhysRevLett.113.107201, by employing a numerical diagonalization method. We reveal that closeness to the Kitaev's QSL is characterized by the following properties, besides trivial criteria such as reduction of magnetic ordered moments and Néel temperatures. (1) Two peaks in the temperature dependence of specific heat at Tℓ and Th caused by the fractionalization of spin to two types of Majorana fermions. (2) In between the double peak, a prominent plateau or shoulder pinned at R/2 ln2 in the temperature dependence of entropy, where R is the gas constant. (3) Failure of the linear spin wave approximation at the low-lying excitations of dynamical structure factors. (4) Small ratio Tℓ/Th close to or less than 0.03. According to the proposed criteria, Na2IrO3 is categorized to a compound close to the Kitaev's QSL, and is proven to be a promising candidate for the realization of the QSL if the relevant material parameters can further be tuned by making thin film of Na2IrO3 on various substrates or applying axial pressure perpendicular to the honeycomb networks of iridium ions. Applications of these characterization to (Na1-xLix) 2IrO3 and other related materials are also discussed.

  7. 2D correlation analysis of the magnetic excitations in Raman spectra of HoMnO3

    NASA Astrophysics Data System (ADS)

    Nguyen, Thi Huyen; Nguyen, Thi Minh Hien; Chen, Xiang-Bai; Yang, In-Sang; Park, Yeonju; Jung, Young Mee

    2014-07-01

    2D correlation analysis is performed on the temperature-dependent Raman spectra of HoMnO3 thin films. As the temperature of the HoMnO3 thin films decrease, the depletion of the spectral weight at 336, 656, and 1304 cm-1 occurs at higher temperatures than the increase of the intensity at 508, 766, and 945 cm-1 below ∼70 K, the Néel temperature. The power spectrum asserts that all the changes in the spectral weight are strongly correlated. Most of the temperature-induced spectral changes of HoMnO3 occur at lower temperature than 70 K, while there is slight depletion of the spectral weight at 336, 656, and 1304 cm-1 even at higher temperature than 70 K. PCA scores and loading vectors plots also support these 2D correlation results. Our 2D correlation analysis supports the existence of the short range spin correlations between Mn sites in HoMnO3 even above the Néel temperature.

  8. Nonquenched Isoscalar Spin-M1 Excitations in sd-Shell Nuclei.

    PubMed

    Matsubara, H; Tamii, A; Nakada, H; Adachi, T; Carter, J; Dozono, M; Fujita, H; Fujita, K; Fujita, Y; Hatanaka, K; Horiuchi, W; Itoh, M; Kawabata, T; Kuroita, S; Maeda, Y; Navrátil, P; von Neumann-Cosel, P; Neveling, R; Okamura, H; Popescu, L; Poltoratska, I; Richter, A; Rubio, B; Sakaguchi, H; Sakaguchi, S; Sakemi, Y; Sasamoto, Y; Shimbara, Y; Shimizu, Y; Smit, F D; Suda, K; Tameshige, Y; Tokieda, H; Yamada, Y; Yosoi, M; Zenihiro, J

    2015-09-01

    Differential cross sections of isoscalar and isovector spin-M1 (0(+)→1(+)) transitions are measured using high-energy-resolution proton inelastic scattering at E(p)=295  MeV on (24)Mg, (28)Si, (32)S, and (36)Ar at 0°-14°. The squared spin-M1 nuclear transition matrix elements are deduced from the measured differential cross sections by applying empirically determined unit cross sections based on the assumption of isospin symmetry. The ratios of the squared nuclear matrix elements accumulated up to E(x)=16  MeV compared to a shell-model prediction are 1.01(9) for isoscalar and 0.61(6) for isovector spin-M1 transitions, respectively. Thus, no quenching is observed for isoscalar spin-M1 transitions, while the matrix elements for isovector spin-M1 transitions are quenched by an amount comparable with the analogous Gamow-Teller transitions on those target nuclei. PMID:26382672

  9. New Approach on Quantification of Porosity of Thin Films via Electron-Excited X-ray Spectra.

    PubMed

    Ortel, Erik; Hertwig, Andreas; Berger, Dirk; Esposito, Pasquale; Rossi, Andrea M; Kraehnert, Ralph; Hodoroaba, Vasile-Dan

    2016-07-19

    One of the crucial characteristics of functionalized thin films is their porosity (i.e., the ratio between the pore volume and the volume of the whole film). Due to the very low amount of material per coated area corresponding to thin films, it is a challenge for analytics to measure the film porosity. In this work, we present an approach to determine the porosity of thin films by means of electron probe microanalysis (EPMA) either by wavelength-dispersive X-ray spectrometry (WDX) or by energy-dispersive X-ray spectrometry (EDX) with a scanning electron microscope (SEM). The procedure is based on the calculation of the film mass deposition from electron-excited X-ray spectra. The mass deposition is converted into film density by division of measured film thickness. Finally, the film porosity is calculated from the measured film density and the density of bulk, nonporous film material. The general applicability of the procedure to determine the porosity is demonstrated on thin templated mesoporous TiO2 films, dip-coated on silicon wafer, with controlled porosity in the range of 15 to 50%. The high accuracy of the mass deposition as determined from X-ray spectra was validated with independent methods (ICP-OES and weighing). Furthermore, for the validation of the porosity results, ellipsometry, interference fringes method (IFM), and focused ion beam (FIB) cross sectioning were employed as independent techniques. Hence, the approach proposed in the present study is proven to be suited as a new analytical tool for accurate and relatively fast determination of the porosity of thin films. PMID:27334649

  10. Competition between collective and noncollective excitation modes at high spin in Ba124

    NASA Astrophysics Data System (ADS)

    Al-Khatib, A.; Singh, A. K.; Hübel, H.; Bringel, P.; Bürger, A.; Domscheit, J.; Neußer-Neffgen, A.; Schönwaßer, G.; Hagemann, G. B.; Hansen, C. Ronn; Herskind, B.; Sletten, G.; Wilson, J. N.; Timár, J.; Algora, A.; Dombrádi, Zs.; Gál, J.; Kalinka, G.; Molnár, J.; Nyakó, B. M.; Sohler, D.; Zolnai, L.; Clark, R. M.; Cromaz, M.; Fallon, P.; Lee, I. Y.; Macchiavelli, A. O.; Ward, D.; Amro, H.; Ma, W. C.; Kmiecik, M.; Maj, A.; Styczen, J.; Zuber, K.; Hauschild, K.; Korichi, A.; Lopez-Martens, A.; Roccaz, J.; Siem, S.; Hannachi, F.; Scheurer, J. N.; Bednarczyk, P.; Byrski, Th.; Curien, D.; Dorvaux, O.; Duchêne, G.; Gall, B.; Khalfallah, F.; Piqueras, I.; Robin, J.; Görgen, A.; Juhász, K.; Patel, S. B.; Evans, A. O.; Rainovski, G.; Benzoni, G.; Bracco, A.; Camera, F.; Leoni, S.; Mason, P.; Million, B.; Paleni, A.; Sacchi, R.; Wieland, O.; Petrache, C. M.; Petrache, D.; Rana, G. La; Moro, R.; De Angelis, G.; Lisle, J. C.; Cederwall, B.; Lagergren, K.; Lieder, R. M.; Podsvirova, E.; Gast, W.; Jäger, H.; Redon, N.

    2006-07-01

    High-spin states in Ba124 were investigated in two experiments using the Ni64(Ni64, 4n)Ba124 reaction at three different beam energies. In-beam γ-ray coincidences were measured with the Euroball and Gammasphere detector arrays. In the experiment with Euroball, the CsI detector array Diamant was employed to discriminate against charged-particle channels. Six new rotational bands were observed in Ba124, and previously known bands were extended to higher spins. One of the bands shows a transition from collective to noncollective behavior at high spins. Configuration assignments are suggested on the basis of comparison with cranked shell model and cranked Nilsson-Strutinsky calculations.

  11. Excited S 1 state dipole moments of nitrobenzene and p-nitroaniline from thermochromic effect on electronic absorption spectra

    NASA Astrophysics Data System (ADS)

    Kawski, A.; Kukliński, B.; Bojarski, P.

    2006-11-01

    The effect of temperature on the absorption spectra of nitrobenzene (NB) and p-nitroaniline (NA) in 1,2-dichloroethane was studied for temperature ranging from 295 K to 378 K and from 296 K to 408 K, respectively. With temperature increase the absorption bands of both compounds are blue shifted, which is caused by the decrease of permittivity ɛ and refractive index n. From the band shifts and by using the Bilot and Kawski theory [ L. Bilot, A. Kawski, Z. Naturforsch. 17a (1962) 621] the dipole moments in the excited singlet state μe = 6.59 D of NB and μe = 13.35 D of NA were determined. The influence of polarizability α, the Onsager cavity radius a and dipole moment in the ground state μg on the determined values of μe are discussed. A comparison of the obtained μe values with those of other authors is given. In the case of p-NA a strong intramolecular charge transfer (ICT) was confirmed.

  12. Taking the spectral overlap between excitation and emission spectra of fluorescent materials into account with Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Leyre, Sven; Ryckaert, Jana; Acuna, Paula; Audenaert, Jan; Meuret, Youri; Hofkens, Johan; Durinck, Guy; Deconinck, Geert; Hanselaer, Peter

    2014-05-01

    Monte Carlo ray tracing is an important simulation tool in applications where fluorescence is present, e.g. in bio-medical applications and in the design of luminaires and luminescent solar concentrators. A frequently used ray tracing procedure for fluorescence is the `dual stage' approach. In this approach, first, all sources are traced through the system and the rays absorbed in the fluorescent components are stored. Next, the emission from the fluorescent components is traced. This approach does not allow for subsequent re-absorption and re-emission effects in fluorescent materials with a spectral overlap between excitation and emission spectra. In this work, a `multi stage' ray tracing procedure for the simulation of luminescence is presented. Herein, wavelengths are traced from short to long separately and no distinction is made regarding the origin of emission (either a fluorescent component or a source). The presented approach can be easily implemented in existing commercial ray tracing software thus reducing the programming efforts for the new ray tracing algorithm and taking advantage of the strength of the selected ray tracing package concerning the modelling of complex geometrical systems. Both techniques are compared to investigate the influence of the selected ray tracing approach on the efficiency and colour prediction of a remote phosphor LED module.

  13. Spin excitations and superconductivity in cuprate oxide and heavy electron superconductors

    NASA Astrophysics Data System (ADS)

    Pines, David

    1990-04-01

    The experimental evidence for a temperature-dependent build up of antiferromagnetic correlations between Cu 2+ planar spins in the normal state of cuprate oxide superconductors is reviewed, and a phenomenological one-component model, developed in collaboration with A. Millis and H. Monien, which appears capable of providing a quantitative account of existing experiments is described. A scaling law which relates the superconducting transaction temperature to the measurable spin-spin correlation length is proposed. The NMR experimental results in the superconducting state are shown to be consistent with d-wave pairing in a strong coupling superconductor. Comparison of the results of NMR experiments on the cuprate oxide and heavy electron superconductors reveals striking similarities. I conclude that the cuprate oxide superconductors are unconventional superconductors in which the superconductivity is of (primarily) electronic origin and results from an attractive interaction of antiferromagnetic character between itinerant quasiparticles in the spin antisymmetric channel, and discuss similarities and differences between cuprate oxide and heavy electron systems.

  14. Computational tools for the interpretation of electron spin resonance spectra in solution

    NASA Astrophysics Data System (ADS)

    Zerbetto, Mirco; Licari, Daniele; Barone, Vincenzo; Polimeno, Antonino

    2013-10-01

    Spectroscopic observables can be used for monitoring relaxation processes of molecules. In particular, electron spin resonance of stable multi-radicals is sensitive to the details of the rotational and internal dynamics in rigid and flexible molecules. Integration with advanced theoretical/computational methods proves to be particularly effective to acquire direct information on long-range relaxation processes, based on molecular dynamics, multi-scale approaches and coarse-graining treatments. Together, experimental data and computational interpretation provide a way to understand the effect of chemical changes on specific systems. In this paper we review computational tools aimed at the characterisation of dynamical properties of molecules gathered from electron spin resonance measurements. Stochastic models are employed, based on a number of structural parameters that are calculated at atomistic and/or mesoscopic level depending on their nature. Open source software tools built as user-friendly 'virtual spectroscopes' targeted for use by experimentalists are provided as a kind of extension of the laboratory equipment. An overview of their range of applicability is provided.

  15. Spin-Free CC2 Implementation of Induced Transitions between Singlet Ground and Triplet Excited States.

    PubMed

    Helmich-Paris, Benjamin; Hättig, Christof; van Wüllen, Christoph

    2016-04-12

    In most organic molecules, phosphorescence has its origin in transitions from triplet exited states to the singlet ground state, which are spin-forbidden in nonrelativistic quantum mechanics. A sufficiently accurate description of phosphorescence lifetimes for molecules that contain only light elements can be achieved by treating the spin-orbit coupling (SOC) with perturbation theory (PT). We present an efficient implementation of this approach for the approximate coupled cluster singles and doubles model CC2 in combination with the resolution-of-the-identity approximation for the electron repulsion integrals. The induced oscillator strengths and phosphorescence lifetimes from SOC-PT are computed within the response theory framework. In contrast to previous work, we employ an explicitly spin-coupled basis for singlet and triplet operators. Thereby, a spin-orbital treatment can be entirely avoided for closed-shell molecules. For compounds containing only light elements, the phosphorescence lifetimes obtained with SOC-PT-CC2 are in good agreement with those of exact two-component (X2C) CC2, whereas the calculations are roughly 12 times faster than with X2C. Phosphorescence lifetimes computed for two thioketones with the SOC-PT-CC2 approach agree very well with reference results from experiment and are similar to those obtained with multireference spin-orbit configuration interaction and with X2C-CC2. An application to phosphorescent emitters for metal-free organic light-emitting diodes (OLEDs) with almost 60 atoms and more than 1800 basis functions demonstrates how the approach extends the applicability of coupled cluster methods for studying phosphorescence. The results indicate that other decay channels like vibrational relaxation may become important in such systems if lifetimes are large. PMID:26881830

  16. Low energy nuclear spin excitations in Ho metal investigated by high resolution neutron spectroscopy.

    PubMed

    Chatterji, Tapan; Jalarvo, Niina

    2013-04-17

    We have investigated the low energy excitations in metallic Ho by high resolution neutron spectroscopy. We found at T = 3 K clear inelastic peaks in the energy loss and energy gain sides, along with the central elastic peak. The energy of this low energy excitation, which is 26.59 ± 0.02 μeV at T = 3 K, decreased continuously and became zero at TN ≈ 130 K. By fitting the data in the temperature range 100-127.5 K with a power law we obtained the power-law exponent β = 0.37 ± 0.02, which agrees with the expected value β = 0.367 for a three-dimensional Heisenberg model. Thus the energy of the low energy excitations can be associated with the order parameter. PMID:23507905

  17. Nuclear moments of inertia at high spins

    SciTech Connect

    Deleplanque, M.A.

    1983-12-01

    Nuclei with highest angular momentum are discussed. The production of high spin states, and the basic ideas associated with high spin physics are reviewed. Recent developments from continuum ..gamma..-ray studies are presented: the measurement of different average moments of inertia gives new information on the interplay between collective and single particle aspects at high spins. Finally, the exciting possibility of resolving the continuum spectra with new detector systems is examined. 8 references.

  18. The excited spin-triplet state of a charged exciton in quantum dots.

    PubMed

    Molas, M R; Nicolet, A A L; Piętka, B; Babiński, A; Potemski, M

    2016-09-14

    We report on spectroscopic studies of resonances related to ladder of states of a charged exciton in single GaAlAs/AlAs quantum dot structures. Polarization-resolved photoluminescence, photoluminescence excitation and photon-correlation measurements were performed at low (T  =  4.2 K) temperature also in magnetic field applied in Faraday configuration. The investigated resonances are assigned to three different configurations of a positively charged exciton. Together with a singlet ground state and a conventional triplet state (involving an electron from the ground state electronic s-shell), an excited triplet state, which involved an electron from the excited electronic p-shell was identified in single dots. The appearance of an emission line related to the latter complex is due to a partially suppressed electron relaxation in the investigated dots. An analysis of this emission line allows us to scrupulously determine properties of the excited triplet state and compare them with those of the conventional triplet state. Both triplets exhibit similar patterns of anisotropic fine structure and Zeeman splitting, however their amplitudes significantly differ for those two states. Presented results emphasize the role of the symmetry of the electronic state on the properties of the triplet states of two holes  +  electron excitonic complex. PMID:27391126

  19. The excited spin-triplet state of a charged exciton in quantum dots

    NASA Astrophysics Data System (ADS)

    Molas, M. R.; Nicolet, A. A. L.; Piętka, B.; Babiński, A.; Potemski, M.

    2016-09-01

    We report on spectroscopic studies of resonances related to ladder of states of a charged exciton in single GaAlAs/AlAs quantum dot structures. Polarization-resolved photoluminescence, photoluminescence excitation and photon-correlation measurements were performed at low (T  =  4.2 K) temperature also in magnetic field applied in Faraday configuration. The investigated resonances are assigned to three different configurations of a positively charged exciton. Together with a singlet ground state and a conventional triplet state (involving an electron from the ground state electronic s-shell), an excited triplet state, which involved an electron from the excited electronic p-shell was identified in single dots. The appearance of an emission line related to the latter complex is due to a partially suppressed electron relaxation in the investigated dots. An analysis of this emission line allows us to scrupulously determine properties of the excited triplet state and compare them with those of the conventional triplet state. Both triplets exhibit similar patterns of anisotropic fine structure and Zeeman splitting, however their amplitudes significantly differ for those two states. Presented results emphasize the role of the symmetry of the electronic state on the properties of the triplet states of two holes  +  electron excitonic complex.

  20. Magnetic excitations in the spin-1/2 triangular-lattice antiferromagnet Cs2CuBr4

    SciTech Connect

    Zvyagin, S. A.; Ozerov, M.; Kamenskyi, D.; Wosnitza, J.; Krzystek, J.; Yoshizawa, D.; Hagiwara, M.; Hu, Rongwei; Ryu, Hyejin; Petrovic, C.; Zhitomirsky, M. E.

    2015-11-27

    We present on high- field electron spin resonance (ESR) studies of magnetic excitations in the spin- 1/2 triangular-lattice antiferromagnet Cs2CuBr4. Frequency- field diagrams of ESR excitations are measured for different orientations of magnetic fields up to 25 T. We show that the substantial zero- field energy gap, Δ ≈ 9.5 K, observed in the low-temperature excitation spectrum of Cs2CuBr4 [Zvyagin et al:, Phys. Rev. Lett. 112, 077206 (2014)], is present well above TN. Noticeably, the transition into the long-range magnetically ordered phase does not significantly affect the size of the gap, suggesting that even below TN the high-energy spin dynamics in Cs2CuBr4 is determined by short-range-order spin correlations. The experimental data are compared with results of model spin-wave-theory calculations for spin-1/2 triangle-lattice antiferromagnet.

  1. Solvent effects on the absorption and fluorescence spectra of quinine sulphate: Estimation of ground and excited-state dipole moments

    NASA Astrophysics Data System (ADS)

    Joshi, Sunita; Pant, Debi D.

    2012-06-01

    Ground and excited state dipole moments of probe quinine sulphate (QS) was obtained using Solvatochromic shift method. Higher dipole moment is observed for excited state as compared to the ground state which is attributed to the higher polarity of excited state.

  2. Transient resonance Raman spectra of benzophenone and its four isotopic analogues in the lowest excited triplet state

    SciTech Connect

    Tahara, T.; Hamaguchi, H.; Tasumi, M.

    1987-11-05

    Transient resonance Raman spectra of T/sub 1/ benzophenone (T/sub 1/BP) and its four isotopic analogues in carbon tetrachloride solutions were measured. Vibrational assignments of eight T/sub 1/ bands have been made on the basis of the observed isotopic frequency shifts. The assignments clarified the following three points concerning the structure of T/sub 1/ BP in solution. (1) The CO bond order in T/sub 1/ BP is much lower than that in the ground-state benzophenone (S/sub 0/ BP). The CO stretching frequency in T/sub 1/ is found to be 1222 cm/sup -1/, whereas the corresponding value in S/sub 0/ is 1665 cm/sup -1/. The former frequency indicates a single-bond-like character of the CO bonding in the T/sub 1/ state. (2) Vibrational frequencies of several ring modes show marked downshifts in going from S/sub 0/ to T/sub 1/. This suggests the delocalization of the ..pi..* electron into the ring part. (3) The assignment (1302 cm/sup -1/) of the symmetric C-phenyl stretch mode in the T/sub 1/ withdraws S/sub 0/ absorption spectrum is questioned. According to the present assignment, the frequency of this mode (approx. 1100 cm/sup -1/) is slightly lower than that in the ground state (1150 cm/sup -1/). The simple quantum chemical picture of T/sub 1/ BP, which predicted the increase of the C-phenyl bond order with the ..pi..* withdraws n excitation, should therefore be reconsidered.

  3. Order-selective multiple-quantum excitation in magic-angle spinning NMR: creating triple-quantum coherences with a trilinear Hamiltonian

    NASA Astrophysics Data System (ADS)

    Edén, Mattias

    2002-12-01

    Order-selective multiple-quantum excitation in magic-angle spinning nuclear magnetic resonance is explored using a class of symmetry-based pulse sequences, denoted S Mχ. Simple rules are presented that aid the design of S Mχ schemes with certain desirable effective Hamiltonians. They are applied to construct sequences generating trilinear effective dipolar Hamiltonians, suitable for efficient excitation of triple-quantum coherences in rotating solids. The new sequences are investigated numerically and demonstrated by 1H experiments on adamantane.

  4. Spin-orbit interaction driven collective electron-hole excitations in a noncentrosymmetric nodal loop Weyl semimetal

    NASA Astrophysics Data System (ADS)

    Ahn, Kyo-Hoon; Lee, Kwan-Woo; Pickett, Warren E.

    2015-09-01

    NbP is one member of a new class of nodal loop semimetals characterized by the cooperative effects of spin-orbit coupling (SOC) and a lack of inversion center. Here transport and spectroscopic properties of NbP are evaluated using density functional theory methods. SOC together with the lack of inversion symmetry splits degeneracies, giving rise to "Russian doll nested" Fermi surfaces containing 4 ×10-4 electron (hole) carriers/f.u. Due to the modest SOC strength in Nb, the Fermi surfaces map out the Weyl nodal loops. Calculated structure around T*≈100 K in transport properties reproduces well the observed transport behavior only when SOC is included, attesting to the precision of the (delicate) calculations and the stoichiometry of the samples. Low-energy collective electron-hole excitations (plasmons) in the 20-60 meV range result from the nodal loop splitting.

  5. Magnetic moments, E3 transitions and the structure of high-spin core excited states in 211Rn

    NASA Astrophysics Data System (ADS)

    Poletti, A. R.; Dracoulis, G. D.; Byrne, A. P.; Stuchbery, A. E.; Poletti, S. J.; Gerl, J.; Lewis, P. M.

    1985-05-01

    The results of g-factor measurements of high-spin states in 211Rn are: Ex = 8856 + Δ' keV (Jπ = 63/2-), g = 0.626(7); 6101 + Δ' KeV (49/2+), 0.766(8); 5347 + Δ' KeV (43/2-), 0.74(2); 3927 + Δ KeV (35/2+), 1.017(12); 1578 + Δ KeV (17/2-), 0.912(9). These results together with measured E3 transition strengths and shell model calculations are used to assign configurations to the core excited states in 211Rn. Mixed configurations are required to explain the g-factors and enhanced E3 strengths simultaneously.

  6. Comparing XMCD and DFT with STM spin excitation spectroscopy for Fe and Co adatoms on Cu2N /Cu (100 )

    NASA Astrophysics Data System (ADS)

    Etzkorn, M.; Hirjibehedin, C. F.; Lehnert, A.; Ouazi, S.; Rusponi, S.; Stepanow, S.; Gambardella, P.; Tieg, C.; Thakur, P.; Lichtenstein, A. I.; Shick, A. B.; Loth, S.; Heinrich, A. J.; Brune, H.

    2015-11-01

    We report on the magnetic properties of Fe and Co adatoms on a Cu2N /Cu(100 ) -c (2 ×2 ) surface investigated by x-ray magnetic dichroism measurements and density functional theory (DFT) calculations including the local coulomb interaction. We compare these results with properties formerly deduced from STM spin excitation spectroscopy (SES) performed on the individual adatoms. In particular we focus on the values of the local magnetic moments determined by XMCD compared to the expectation values derived from the description of the SES data. The angular dependence of the projected magnetic moments along the magnetic field, as measured by XMCD, can be understood on the basis of the SES Hamiltonian. In agreement with DFT, the XMCD measurements show large orbital contributions to the total magnetic moment for both magnetic adatoms.

  7. Spin excitations in the skyrmion host Cu2OSeO3

    NASA Astrophysics Data System (ADS)

    Tucker, G. S.; White, J. S.; Romhányi, J.; Szaller, D.; Kézsmárki, I.; Roessli, B.; Stuhr, U.; Magrez, A.; Groitl, F.; Babkevich, P.; Huang, P.; Živković, I.; Rønnow, H. M.

    2016-02-01

    We have used inelastic neutron scattering to measure the magnetic excitation spectrum along the high-symmetry directions of the first Brillouin zone of the magnetic skyrmion hosting compound Cu2OSeO3 . The majority of our scattering data are consistent with the expectations of a recently proposed model for the magnetic excitations in Cu2OSeO3 , and we report best-fit parameters for the dominant exchange interactions. Important differences exist, however, between our experimental findings and the model expectations. These include the identification of two energy scales that likely arise due to neglected anisotropic interactions. This feature of our work suggests that anisotropy should be considered in future theoretical work aimed at the full microscopic understanding of the emergence of the skyrmion state in this material.

  8. Spin excitations in cubic maghemite nanoparticles studied by time-of-flight neutron spectroscopy

    NASA Astrophysics Data System (ADS)

    Disch, S.; Hermann, R. P.; Wetterskog, E.; Podlesnyak, A. A.; An, K.; Hyeon, T.; Salazar-Alvarez, G.; Bergström, L.; Brückel, Th.

    2014-02-01

    We have determined the field dependence of collective magnetic excitations in iron oxide nanoparticles of cubic shape with 8.42(2) nm edge length and a narrow log normal size distribution of 8.2(2)% using time-of-flight neutron spectroscopy. The energy dependence of the uniform precession modes was investigated up to 5 T applied field and yields a Landé factor g =2.05(2) as expected for maghemite (γ-Fe2O3) nanoparticles. A large effective anisotropy field of BA ,eff=0.45(16) T was determined, in excellent agreement with macroscopic measurements. This anisotropy is attributed to enhanced shape anisotropy in these monodisperse cubic nanoparticles. The combination of our results with macroscopic magnetization information provides a consistent view of the energy scales of superparamagnetic relaxation and collective magnetic excitations in magnetic nanoparticles.

  9. High spin spectroscopy near the N=Z line: Channel selection and excitation energy systematics

    SciTech Connect

    Svensson, C.E.; Cameron, J.A.; Flibotte, S.

    1996-12-31

    The total {gamma}-ray and charged-particle energies emitted in fusion-evaporation reactions leading to N=Z compound systems in the A = 50-70 mass region have been measured with the 8{pi} {gamma}-ray spectrometer and the miniball charged-particle detector array. A new method of channel selection has been developed which combines particle identification with these total energy measurements and greatly improves upon the selectivity possible with particle detection alone. In addition, the event by event measurement of total {gamma}-ray energies using the BGO ball of the 8{pi} spectrometer has allowed a determination of excitation energies following particle evaporation for a large number of channels in several different reactions. The new channel selection procedure and excitation energy systematics are illustrated with data from the reaction of {sup 24}Mg on {sup 40}Ca at E{sub lab} = 80MeV.

  10. Extensive spin-orbit multi-reference computations on the excited states of the phosphorus monochloride molecule

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaomei; Yan, Peiyuan; Li, Rui; Gai, Zhiqiang; Liang, Guiying; Xu, Haifeng; Yan, Bing

    2016-09-01

    Total 34 Λ-S states of the PCl molecule have been studied by using the multi-reference configuration interaction plus the Davidson correction (MRCI+Q) method with the correlation consistent quadruple-zeta quality basis set. These states are correlated to three dissociation limits P(4Su)+Cl(2Pu), P(2Du)+Cl(2Pu), and P(2Pu)+Cl(2Pu), respectively. The potential energy curves (PECs) of the Λ-S states have been calculated, from which the spectroscopic constants of the bound states are determined. The calculated spectroscopic results well reproduce the available measurements. The spin-orbit matrix elements between the Λ-S states have been calculated, which indicate that the perturbations exist in the interacting system 11Π-23Π and 11Π-23Σ-. And the excited a1Δ, b1Σ+, 21Σ+ states could be predissociated induced by the spin-orbit coupling (SOC) effect. The SOC calculation on the PCl molecule has been performed with the state interaction method. This is the first time that the SOC effect of the PCl has been studied theoretically. The SOC effect leads to the 34 Λ-S states split into the 74 Ω states. The ground state X3Σ- splits into the X3 Σ0-+ (X10+) and X3Σ1- (X21) states. For the zero-field splitting of the X3Σ- state, the spin-orbit contribution of 6 cm-1 is much larger than spin-spin contribution of 0.32 cm-1. Under the influence of the SOC effect, the spectroscopic results of the a1Δ and b1Σ+ states have very small changes, but the dissociation energies strongly decrease. The transition properties of PCl are also predicted, including the E1, M1, and E2 transition moments, the Franck-Condon factors, the transition probabilities, and the radiative lifetimes. For the transitions from a1Δ-X3Σ- and b1Σ+-X3Σ-, the transition probabilities are in order of AE1 > AM1 ≫ AE2. The lifetimes for the b1Σ+(v'=0) state are 4.87ms (E1) and 4.57 ms (E1+M1), in good agreement with the available experimental result of 4.9±0.8 ms.

  11. Crossover between fast and slow excitation of magnetization by spin torque

    NASA Astrophysics Data System (ADS)

    Taniguchi, Tomohiro

    2016-07-01

    A crossover between two mechanisms destabilizing the magnetization in equilibrium by the spin transfer effect is found in a ferromagnetic multilayer consisting of an in-plane magnetized free layer and a perpendicularly magnetized pinned layer, where an in-plane magnetic field is applied, and electric current flows from the pinned to the free layer. A fast transition from the in-plane to the out-of-plane state occurs in the low-field region, whereas a slow transition with small-amplitude oscillation becomes dominant in the high-field region. On the other hand, only the fast transition mechanism appears for the opposite current direction.

  12. Physical states and finite-size effects in Kitaev's honeycomb model: Bond disorder, spin excitations, and NMR line shape

    NASA Astrophysics Data System (ADS)

    Zschocke, Fabian; Vojta, Matthias

    2015-07-01

    Kitaev's compass model on the honeycomb lattice realizes a spin liquid whose emergent excitations are dispersive Majorana fermions and static Z2 gauge fluxes. We discuss the proper selection of physical states for finite-size simulations in the Majorana representation, based on a recent paper by F. L. Pedrocchi, S. Chesi, and D. Loss [Phys. Rev. B 84, 165414 (2011), 10.1103/PhysRevB.84.165414]. Certain physical observables acquire large finite-size effects, in particular if the ground state is not fermion-free, which we prove to generally apply to the system in the gapless phase and with periodic boundary conditions. To illustrate our findings, we compute the static and dynamic spin susceptibilities for finite-size systems. Specifically, we consider random-bond disorder (which preserves the solubility of the model), calculate the distribution of local flux gaps, and extract the NMR line shape. We also predict a transition to a random-flux state with increasing disorder.

  13. Spin-orbit-driven magnetic structure and excitation in the 5d pyrochlore Cd2Os2O7

    NASA Astrophysics Data System (ADS)

    Calder, S.; Vale, J. G.; Bogdanov, N. A.; Liu, X.; Donnerer, C.; Upton, M. H.; Casa, D.; Said, A. H.; Lumsden, M. D.; Zhao, Z.; Yan, J.-Q.; Mandrus, D.; Nishimoto, S.; van den Brink, J.; Hill, J. P.; McMorrow, D. F.; Christianson, A. D.

    2016-06-01

    Much consideration has been given to the role of spin-orbit coupling (SOC) in 5d oxides, particularly on the formation of novel electronic states and manifested metal-insulator transitions (MITs). SOC plays a dominant role in 5d5 iridates (Ir4+), undergoing MITs both concurrent (pyrochlores) and separated (perovskites) from the onset of magnetic order. However, the role of SOC for other 5d configurations is less clear. For example, 5d3 (Os5+) systems are expected to have an orbital singlet with reduced effective SOC. The pyrochlore Cd2Os2O7 nonetheless exhibits a MIT entwined with magnetic order phenomenologically similar to pyrochlore iridates. Here, we resolve the magnetic structure in Cd2Os2O7 with neutron diffraction and then via resonant inelastic X-ray scattering determine the salient electronic and magnetic energy scales controlling the MIT. In particular, SOC plays a subtle role in creating the electronic ground state but drives the magnetic order and emergence of a multiple spin-flip magnetic excitation.

  14. Spin-orbit-driven magnetic structure and excitation in the 5d pyrochlore Cd2Os2O7

    PubMed Central

    Calder, S.; Vale, J. G.; Bogdanov, N. A.; Liu, X.; Donnerer, C.; Upton, M. H.; Casa, D.; Said, A. H.; Lumsden, M. D.; Zhao, Z.; Yan, J. -Q.; Mandrus, D.; Nishimoto, S.; van den Brink, J.; Hill, J. P.; McMorrow, D. F.; Christianson, A. D.

    2016-01-01

    Much consideration has been given to the role of spin-orbit coupling (SOC) in 5d oxides, particularly on the formation of novel electronic states and manifested metal-insulator transitions (MITs). SOC plays a dominant role in 5d5 iridates (Ir4+), undergoing MITs both concurrent (pyrochlores) and separated (perovskites) from the onset of magnetic order. However, the role of SOC for other 5d configurations is less clear. For example, 5d3 (Os5+) systems are expected to have an orbital singlet with reduced effective SOC. The pyrochlore Cd2Os2O7 nonetheless exhibits a MIT entwined with magnetic order phenomenologically similar to pyrochlore iridates. Here, we resolve the magnetic structure in Cd2Os2O7 with neutron diffraction and then via resonant inelastic X-ray scattering determine the salient electronic and magnetic energy scales controlling the MIT. In particular, SOC plays a subtle role in creating the electronic ground state but drives the magnetic order and emergence of a multiple spin-flip magnetic excitation. PMID:27273216

  15. Spin-orbit-driven magnetic structure and excitation in the 5d pyrochlore Cd2Os2O7.

    PubMed

    Calder, S; Vale, J G; Bogdanov, N A; Liu, X; Donnerer, C; Upton, M H; Casa, D; Said, A H; Lumsden, M D; Zhao, Z; Yan, J-Q; Mandrus, D; Nishimoto, S; van den Brink, J; Hill, J P; McMorrow, D F; Christianson, A D

    2016-01-01

    Much consideration has been given to the role of spin-orbit coupling (SOC) in 5d oxides, particularly on the formation of novel electronic states and manifested metal-insulator transitions (MITs). SOC plays a dominant role in 5d(5) iridates (Ir(4+)), undergoing MITs both concurrent (pyrochlores) and separated (perovskites) from the onset of magnetic order. However, the role of SOC for other 5d configurations is less clear. For example, 5d(3) (Os(5+)) systems are expected to have an orbital singlet with reduced effective SOC. The pyrochlore Cd2Os2O7 nonetheless exhibits a MIT entwined with magnetic order phenomenologically similar to pyrochlore iridates. Here, we resolve the magnetic structure in Cd2Os2O7 with neutron diffraction and then via resonant inelastic X-ray scattering determine the salient electronic and magnetic energy scales controlling the MIT. In particular, SOC plays a subtle role in creating the electronic ground state but drives the magnetic order and emergence of a multiple spin-flip magnetic excitation. PMID:27273216

  16. Direct observation of low energy nuclear spin excitations in HoCrO3 by high resolution neutron spectroscopy.

    PubMed

    Chatterji, T; Jalarvo, N; Kumar, C M N; Xiao, Y; Brückel, Th

    2013-07-17

    We have investigated low energy nuclear spin excitations in the strongly correlated electron compound HoCrO3. We observe clear inelastic peaks at E = 22.18 ± 0.04 μeV in both energy loss and gain sides. The energy of the inelastic peaks remains constant in the temperature range 1.5-40 K at which they are observed. The intensity of the inelastic peak increases at first with increasing temperature and then decreases at higher temperatures. The temperature dependence of the energy and intensity of the inelastic peaks is very unusual compared to that observed in other Nd, Co, V and also simple Ho compounds. Huge quasielastic scattering appears at higher temperatures presumably due to the fluctuating electronic moments of the Ho ions that get increasingly disordered at higher temperatures. The strong quasielastic scattering may also originate in the first Ho crystal-field excitations at about 1.5 meV. PMID:23779198

  17. Dynamic Spin Rig Upgraded With a Five- Axis-Controlled Three-Magnetic-Bearing Support System With Forward Excitation

    NASA Technical Reports Server (NTRS)

    Morrison, Carlos R.; Mehmed, Oral

    2003-01-01

    The NASA Glenn Research Center Dynamic Spin Rig is used for experimental evaluation of vibration analysis methods and dynamic characteristics for rotating systems. Measurements are made while rotors are spun and vibrated in a vacuum chamber. The rig has been upgraded with a new active magnetic bearing rotor support and excitation system. This design is expected to provide operational improvements over the existing rig. The rig will be able to be operated in either the old or new configuration. In the old configuration, two ball bearings support the vertical shaft of the rig, with the test article located between the bearings. Because the bearings operate in a vacuum, lubrication is limited to grease. This limits bearing life and speed. In addition, the old configuration employs two voice-coil electromagnetic shakers to apply oscillatory axial forces or transverse moments to the rotor shaft through a thrust bearing. The excitation amplitudes that can be imparted to the test article with this system are not adequate for components that are highly damped. It is expected that the new design will overcome these limitations.

  18. Ab initio configuration interaction study of excited states of LiNa3 and Li2Na2 clusters: Interpretation of absorption spectra

    NASA Astrophysics Data System (ADS)

    Bonačić-Koutecký, V.; Gaus, J.; Guest, M. F.; Koutecký, J.

    1992-04-01

    The ab initio configuration-interaction (CI) study of excited states of mixed alkali metal tetramers LiNa3 and Li2Na2 accounts for spectroscopic patterns obtained from the depletion spectra of neutral species, reproduces observed excitation energies and intensities for allowed transitions, and permits an assignment of cluster structures. For both mixed tetramers, the rhombic forms with a Li atom or atoms on the short diagonal are the most stable structures and give rise to predicted spectra in full agreement with the measured ones. The exact location of Li atoms seems to be more important in Li2Na2 than in LiNa3 since in the former case, only one isomer reproduces all features of the recorded spectrum.

  19. Spin-Dependent Electron-Proton Scattering in the Delta-Excitation Region

    SciTech Connect

    L. D. van Buuren; D. Szczerba; R. Alarcon; D. J. Boersma; J. F. J. van den Brand; H. J. Bulten; R. Ent; M. Ferro-Luzzi; M. Harvey; P. Heimberg; D. W. Higinbotham; S. Klous; H. Kolster; J. Lang; B. L. Militsyn; D. Nikolenko; B. E. Norum; I. Passchier; H. R. Poolman; I. Rachek; M. C. Simani; E. Six; H. de Vries; Z.-L. Zhou

    2002-07-01

    We report on measurements of the cross section and provide first data on spin correlation parameters A{sub TT'} and A{sub TL'} in inclusive scattering of longitudinally polarized electrons from nuclear-polarized hydrogen. Polarized electrons were injected into an electron storage ring operated at a beam energy of 720 MeV. Polarized hydrogen was produced by an atomic beam source and injected into an open-ended cylindrical cell, located in the electron storage ring. The four-momentum transfer squared ranged from Q{sup 2} = 0.2 GeV{sup 2}/c{sup 2} at the elastic scattering peak to Q{sup 2} = 0.11 GeV{sup 2}/c{sup 2} at the Delta (1232) resonance. The data provide a stringent test of pion electroproduction models.

  20. Excitation of spin-isospin modes in the quasifree scattering region

    NASA Astrophysics Data System (ADS)

    Ichimura, M.; Kawahigashi, K.; Jørgensen, T. S.; Gaarde, C.

    1989-04-01

    Nuclear spin longitudinal and transverse response functions in the isovector channel are calculated by the continuum random-phase approximation with the orthogonality condition. This method treats the nucleus as of finite size and with a continuum single-particle spectrum. It can include an imaginary potential for the particle states. The corresponding longitudinal and transverse cross sections for 40(p,p') at Ep=500 MeV are calculated by distorted-wave impulse approximation fully quantum mechanically which is beyond the previous analyses by the Glauber approximation. The results are compared with the longitudinal-transverse response ratio extracted from the polarization transfer observables of the Los Alamos experiment. Large effects of the finiteness of the nucleus are seen especially in the longitudinal response. Effects of the distortion diminish the softening and hardening due to nuclear correlation, but the enhancement and quenching still remain. These effects cooperatively reduce the ratio.

  1. Properties of Haldane Excitations and Multiparticle States in the Antiferromagnetic Spin-1 Chain Compound CsNiCl3

    SciTech Connect

    Kenzelmann, M.; Cowley, R. A.; Buyers, W. J. L.; Tun, Z.; Coldea, Radu; Enderle, M.

    2002-01-01

    We report inelastic time-of-flight and triple-axis neutron scattering measurements of the excitation spectrum of the coupled antiferromagnetic spin-1 Heisenberg chain system CsNiCl{sub 3}. Measurements over a wide range of wave-vector transfers along the chain confirm that above T{sub N} CsNiCl{sub 3} is in a quantum-disordered phase with an energy gap in the excitation spectrum. The spin correlations fall off exponentially with increasing distance with a correlation length {zeta} = 4.0(2) sites at T = 6.2K. This is shorter than the correlation length for an antiferromagnetic spin-1 Heisenberg chain at this temperature, suggesting that the correlations perpendicular to the chain direction and associated with the interchain coupling lower the single-chain correlation length. A multiparticle continuum is observed in the quantum-disordered phase in the region in reciprocal space where antiferromagnetic fluctuations are strongest, extending in energy up to twice the maximum of the dispersion of the well-defined triplet excitations. We show that the continuum satisfies the Hohenberg-Brinkman sum rule. The dependence of the multiparticle continuum on the chain wave vector resembles that of the two-spinon continuum in antiferromagnetic spin-1/2 Heisenberg chains. This suggests the presence of spin-1/2 degrees of freedom in CsNiCl{sub 3} for T {approx}< 12 K, possibly caused by multiply frustrated interchain interactions.

  2. Spin-dependent localized Hartree-Fock density-functional calculation of singly, doubly, and triply excited and Rydberg states of He- and Li-like ions

    SciTech Connect

    Zhou Zhongyuan; Chu, Shih-I

    2005-02-01

    A spin-dependent density-functional approach for the calculation of highly and multiply excited state of atomic system is proposed based on the localized Hartree-Fock density-functional method and Slater's diagonal sum rule. In this approach, electron spin orbitals in an electronic configuration are obtained first by solving the Kohn-Sham equation with an exact nonvariational spin-dependent localized Hartree-Fock exchange potential. Then a single-Slater-determinant energy of the electronic configuration is calculated by using these electron spin orbitals. Finally, a multiplet energy of an excited state is evaluated from the single-Slater-determinant energies of the electronic configurations involved in terms of Slater's diagonal sum rule. This approach has been applied to the calculation of singly, doubly, and especially triply excited Rydberg states of He- and Li-like ions. The total energies obtained from the calculation with an exchange-only (X-only) potential are surprisingly close to those of Hartree-Fock method and the total energies from the calculation with exchange-correlation potential are in overall agreement with available theoretical and experimental data. The presented procedure provides a simple and computationally efficient scheme for the accurate calculation of highly and multiply excited Rydberg states of an atomic system within density-functional theory.

  3. Evidence for phonon-like charge and spin fluctuations from an analysis of angle-resolved photoemission spectra of La2-xSrxCuO4 superconductors

    NASA Astrophysics Data System (ADS)

    Mazza, G.; Grilli, M.; Di Castro, C.; Caprara, S.

    2013-01-01

    In high temperature superconductors we provide evidence of spin and mixed phonon-charge collective modes as mediators of the effective electron-electron interaction and suggestive of a charge and spin density wave instability competing with superconductivity. Indeed, we show that the so-called kinks and waterfalls observed in angle-resolved photoemission spectra of La2-xSrxCuO4, a prototypical high-Tc superconducting cuprate, are due to the coupling of quasiparticles with two distinct nearly critical collective modes with finite characteristic wave vectors, typical of charge and spin fluctuations. The simultaneous presence of these two modes reconciles the long standing dichotomy whether kinks are due to phonons or spin waves.

  4. Synchrotron-radiation study of weak fluorescence from neat liquids of simple alkenes: Anomalous excitation spectra as evidence for wavelength-dependent photochemistry

    SciTech Connect

    Inoue, Yoshihisa; Daino, Yoshihiko; Tai, Akira; Hakushi, Tadao ); Okada, Tadashi )

    1989-07-19

    Fluorescence excitation spectra of trans-2-octene, trans-cyclooctene, 2-methyl-2-butene, and 2,3-dimethyl-2-butene were measured by using synchrotron radiation as a tunable light source in the vacuum UV and UV region. The wavelength dependence of the fluorescence yields provides direct evidence for the long-proposed assignment that the emissive state is the {pi},R(3s) Rydberg state, which in turn gives the carbene-derived photoproducts.

  5. Special features of the excitation spectra and kinetics of photoluminescence of the Si{sub 1-x}Ge{sub x}:Er/Si structures with relaxed heterolayers

    SciTech Connect

    Krasilnikova, L. V. Yablonskiy, A. N.; Stepikhova, M. V.; Drozdov, Yu. N.; Shengurov, V. G.; Krasilnik, Z. F.

    2010-11-15

    Luminescent properties of heteroepitaxial Si{sub 1-x}Ge{sub x}:Er/Si structures with relaxed heterolayers are studied. The results of combined studies of the excitation spectra and kinetics of photoluminescence (PL) are used to single out the components providing the largest contribution to the PL signal of the Si{sub 1-x}Ge{sub x}:Er/Si structures in the wavelength region of 1.54 {mu}m. It is shown that relaxation of elastic stresses in the Si{sub 1-x}Ge{sub x}:Er heterolayer affects only slightly the kinetic characteristics of erbium luminescence and manifests itself in insignificant contribution of the defects and defect-impurity complexes to the luminescent response of the Si{sub 1-x}Ge{sub x}:Er/Si structures. In the excitation spectra of the erbium PL, special features related to the possibility of the rare-earth impurity excitation at energies lower than the band gap of the Si{sub 1} {sub -x}Ge{sub x} solid solution are revealed. It is shown that a peak the width of which depends on the band gap of the solid solution and the extent of its relaxation is observed in the excitation spectra of the erbium-related PL in the Si{sub 1-x}Ge{sub x}:Er/Si structures in the wavelength region of 1040-1050 nm. The observed specific features are accounted for by involvement of intermediate levels in the band gap of the Si{sub 1-x}Ge{sub x}:Er solid solution in the process of excitation of an Er{sup 3+} ion.

  6. Comparative assessment of density functional methods for evaluating essential parameters to simulate SERS spectra within the excited state energy gradient approximation

    NASA Astrophysics Data System (ADS)

    Mohammadpour, Mozhdeh; Jamshidi, Zahra

    2016-05-01

    The prospect of challenges in reproducing and interpretation of resonance Raman properties of molecules interacting with metal clusters has prompted the present research initiative. Resonance Raman spectra based on the time-dependent gradient approximation are examined in the framework of density functional theory using different methods for representing the exchange-correlation functional. In this work the performance of different XC functionals in the prediction of ground state properties, excitation state energies, and gradients are compared and discussed. Resonance Raman properties based on time-dependent gradient approximation for the strongly low-lying charge transfer states are calculated and compared for different methods. We draw the following conclusions: (1) for calculating the binding energy and ground state geometry, dispersion-corrected functionals give the best performance in comparison to ab initio calculations, (2) GGA and meta GGA functionals give good accuracy in calculating vibrational frequencies, (3) excited state energies determined by hybrid and range-separated hybrid functionals are in good agreement with EOM-CCSD calculations, and (4) in calculating resonance Raman properties GGA functionals give good and reasonable performance in comparison to the experiment; however, calculating the excited state gradient by using the hybrid functional on the hessian of GGA improves the results of the hybrid functional significantly. Finally, we conclude that the agreement of charge-transfer surface enhanced resonance Raman spectra with experiment is improved significantly by using the excited state gradient approximation.

  7. Comparative assessment of density functional methods for evaluating essential parameters to simulate SERS spectra within the excited state energy gradient approximation.

    PubMed

    Mohammadpour, Mozhdeh; Jamshidi, Zahra

    2016-05-21

    The prospect of challenges in reproducing and interpretation of resonance Raman properties of molecules interacting with metal clusters has prompted the present research initiative. Resonance Raman spectra based on the time-dependent gradient approximation are examined in the framework of density functional theory using different methods for representing the exchange-correlation functional. In this work the performance of different XC functionals in the prediction of ground state properties, excitation state energies, and gradients are compared and discussed. Resonance Raman properties based on time-dependent gradient approximation for the strongly low-lying charge transfer states are calculated and compared for different methods. We draw the following conclusions: (1) for calculating the binding energy and ground state geometry, dispersion-corrected functionals give the best performance in comparison to ab initio calculations, (2) GGA and meta GGA functionals give good accuracy in calculating vibrational frequencies, (3) excited state energies determined by hybrid and range-separated hybrid functionals are in good agreement with EOM-CCSD calculations, and (4) in calculating resonance Raman properties GGA functionals give good and reasonable performance in comparison to the experiment; however, calculating the excited state gradient by using the hybrid functional on the hessian of GGA improves the results of the hybrid functional significantly. Finally, we conclude that the agreement of charge-transfer surface enhanced resonance Raman spectra with experiment is improved significantly by using the excited state gradient approximation. PMID:27208944

  8. Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approach

    SciTech Connect

    Fukuda, Ryoichi Ehara, Masahiro; Cammi, Roberto

    2014-02-14

    A perturbative approximation of the state specific polarizable continuum model (PCM) symmetry-adapted cluster-configuration interaction (SAC-CI) method is proposed for efficient calculations of the electronic excitations and absorption spectra of molecules in solutions. This first-order PCM SAC-CI method considers the solvent effects on the energies of excited states up to the first-order with using the zeroth-order wavefunctions. This method can avoid the costly iterative procedure of the self-consistent reaction field calculations. The first-order PCM SAC-CI calculations well reproduce the results obtained by the iterative method for various types of excitations of molecules in polar and nonpolar solvents. The first-order contribution is significant for the excitation energies. The results obtained by the zeroth-order PCM SAC-CI, which considers the fixed ground-state reaction field for the excited-state calculations, are deviated from the results by the iterative method about 0.1 eV, and the zeroth-order PCM SAC-CI cannot predict even the direction of solvent shifts in n-hexane for many cases. The first-order PCM SAC-CI is applied to studying the solvatochromisms of (2,2{sup ′}-bipyridine)tetracarbonyltungsten [W(CO){sub 4}(bpy), bpy = 2,2{sup ′}-bipyridine] and bis(pentacarbonyltungsten)pyrazine [(OC){sub 5}W(pyz)W(CO){sub 5}, pyz = pyrazine]. The SAC-CI calculations reveal the detailed character of the excited states and the mechanisms of solvent shifts. The energies of metal to ligand charge transfer states are significantly sensitive to solvents. The first-order PCM SAC-CI well reproduces the observed absorption spectra of the tungsten carbonyl complexes in several solvents.

  9. Numerical models for the diffuse ionized gas in galaxies. I. Synthetic spectra of thermally excited gas with turbulent magnetic reconnection as energy source

    NASA Astrophysics Data System (ADS)

    Hoffmann, T. L.; Lieb, S.; Pauldrach, A. W. A.; Lesch, H.; Hultzsch, P. J. N.; Birk, G. T.

    2012-08-01

    Aims: The aim of this work is to verify whether turbulent magnetic reconnection can provide the additional energy input required to explain the up to now only poorly understood ionization mechanism of the diffuse ionized gas (DIG) in galaxies and its observed emission line spectra. Methods: We use a detailed non-LTE radiative transfer code that does not make use of the usual restrictive gaseous nebula approximations to compute synthetic spectra for gas at low densities. Excitation of the gas is via an additional heating term in the energy balance as well as by photoionization. Numerical values for this heating term are derived from three-dimensional resistive magnetohydrodynamic two-fluid plasma-neutral-gas simulations to compute energy dissipation rates for the DIG under typical conditions. Results: Our simulations show that magnetic reconnection can liberate enough energy to by itself fully or partially ionize the gas. However, synthetic spectra from purely thermally excited gas are incompatible with the observed spectra; a photoionization source must additionally be present to establish the correct (observed) ionization balance in the gas.

  10. Describing synchronization and topological excitations in arrays of magnetic spin torque oscillators through the Kuramoto model

    PubMed Central

    Flovik, Vegard; Macià, Ferran; Wahlström, Erik

    2016-01-01

    The collective dynamics in populations of magnetic spin torque oscillators (STO) is an intensely studied topic in modern magnetism. Here, we show that arrays of STO coupled via dipolar fields can be modeled using a variant of the Kuramoto model, a well-known mathematical model in non-linear dynamics. By investigating the collective dynamics in arrays of STO we find that the synchronization in such systems is a finite size effect and show that the critical coupling—for a complete synchronized state—scales with the number of oscillators. Using realistic values of the dipolar coupling strength between STO we show that this imposes an upper limit for the maximum number of oscillators that can be synchronized. Further, we show that the lack of long range order is associated with the formation of topological defects in the phase field similar to the two-dimensional XY model of ferromagnetism. Our results shed new light on the synchronization of STO, where controlling the mutual synchronization of several oscillators is considered crucial for applications. PMID:27580938

  11. [Co/Pd]-CoFeB exchange spring magnets with tunable gap of spin wave excitations

    NASA Astrophysics Data System (ADS)

    Tacchi, S.; Nguyen, T. N. Anh; Gubbiotti, G.; Madami, M.; Carlotti, G.; Pini, M. G.; Rettori, A.; Fallahi, V.; Dumas, R. K.; Åkerman, Johan

    2014-12-01

    Exchange spring magnets, consisting of a [Co(0.5 nm)/Pd(1 nm)]5 multilayer with perpendicular magnetic anisotropy and a Co20Fe60B20 film with easy plane anisotropy, of variable thickness tCFB, are investigated using Brillouin light scattering. On reducing tCFB in the range 0.8-2.3 nm, the spin-wave frequency gap displays a remarkable increase from nearly 4-48 GHz, reflecting the corresponding rapid growth of the tilting angle of the magnetization with respect to the film normal. These findings are interpreted using a one-dimensional model in which each atomic layer is assumed to be uniformly magnetized, subjected to an effective out-of-plane or easy-plane anisotropy depending on the layer position in the stack, and exchange coupled to its two nearest neighbour atomic layers. With respect to previously investigated [Co/Pd]-NiFe hybrid magnets, a largest frequency tunability, restricted to a narrower range of the soft layer thickness, is observed.

  12. Describing synchronization and topological excitations in arrays of magnetic spin torque oscillators through the Kuramoto model.

    PubMed

    Flovik, Vegard; Macià, Ferran; Wahlström, Erik

    2016-01-01

    The collective dynamics in populations of magnetic spin torque oscillators (STO) is an intensely studied topic in modern magnetism. Here, we show that arrays of STO coupled via dipolar fields can be modeled using a variant of the Kuramoto model, a well-known mathematical model in non-linear dynamics. By investigating the collective dynamics in arrays of STO we find that the synchronization in such systems is a finite size effect and show that the critical coupling-for a complete synchronized state-scales with the number of oscillators. Using realistic values of the dipolar coupling strength between STO we show that this imposes an upper limit for the maximum number of oscillators that can be synchronized. Further, we show that the lack of long range order is associated with the formation of topological defects in the phase field similar to the two-dimensional XY model of ferromagnetism. Our results shed new light on the synchronization of STO, where controlling the mutual synchronization of several oscillators is considered crucial for applications. PMID:27580938

  13. S1 excitation and zero kinetic energy spectra of partly deuterated 1:1 phenol-water complexes

    NASA Astrophysics Data System (ADS)

    Dopfer, Otto; Müller-Dethlefs, Klaus

    1994-11-01

    Two-photon, two-color resonant-enhanced multiphoton ionization (REMPI) spectra of the S1 state of isotopic 1:1 hydrogen-bonded phenol-water clusters have been recorded. Up to three deuterium atoms are introduced in the phenolic OH group and/or the water molecule. The intermolecular vibrational structure found is in reasonable agreement with previously reported one-color REMPI spectra, however, a partly different interpretation of the spectra is presented here. Zero kinetic energy photoelectron (ZEKE) spectra have been obtained via different intermediate S1 levels of the various isotopic complexes. The analysis of both the REMPI and the ZEKE spectra supports the new assignment of several vibrational bands observed in the REMPI spectra of the deuterated complexes where one or two hydrogen atoms are substituted by deuterium. For these deuterated complexes, the reassignment given here is based on the assumption that two different nonequivalent isomeric configurations are responsible for the structure observed in the REMPI spectra. This result is in clear contrast to the previously given interpretation where the spectra were analyzed in terms of only one isomer and the occurrence of Fermi resonances. Furthermore, accurate ionization energies are determined for all possible isomers of the various isotopic complexes and propensity rules for these values as a function of site-specific deuteration have been found. In addition, the analysis of the intermolecular vibrational structure of the complex cations confirmed the assignment of the intermolecular stretch vibration.

  14. Excitation structure of frustrated spin chains with dimerization and the description by the effective field theory

    NASA Astrophysics Data System (ADS)

    Takayoshi, Shintaro; Oshikawa, Masaki

    2012-02-01

    Heisenberg antiferromagnetic chain with alternating exchange interaction is an important model, which describes magnetic properties of real materials. Field theoretical approach is a powerful tool to investigate such kind of one-dimensional quantum magnets, and it is known that this lattice model is related with corresponding sine-Gordon effective field theory through the bosonization technique. We investigate the excitation spectrum and the correspondence between S=12 and 1 frustrated chain with dimerization and their effective field theories by both analytical and numerical methods, focusing on the mass ratio r of second breather to soliton. In the result, the S=12 and 1 cases are understood in a unified way. r becomes √3, the value predicted from sine-Gordon model by the introduction of next-nearest neighbor coupling J2=J2c where the marginal term in effective field theory vanishes. The universality class of transition is Tomonaga-Luttinger liquid and first order for J2

  15. Selective excitation enables assignment of proton resonances and (1)H-(1)H distance measurement in ultrafast magic angle spinning solid state NMR spectroscopy.

    PubMed

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy

    2015-07-21

    Remarkable developments in ultrafast magic angle spinning (MAS) solid-state NMR spectroscopy enabled proton-based high-resolution multidimensional experiments on solids. To fully utilize the benefits rendered by proton-based ultrafast MAS experiments, assignment of (1)H resonances becomes absolutely necessary. Herein, we propose an approach to identify different proton peaks by using dipolar-coupled heteronuclei such as (13)C or (15)N. In this method, after the initial preparation of proton magnetization and cross-polarization to (13)C nuclei, transverse magnetization of desired (13)C nuclei is selectively prepared by using DANTE (Delays Alternating with Nutations for Tailored Excitation) sequence and then, it is transferred to bonded protons with a short-contact-time cross polarization. Our experimental results demonstrate that protons bonded to specific (13)C atoms can be identified and overlapping proton peaks can also be assigned. In contrast to the regular 2D HETCOR experiment, only a few 1D experiments are required for the complete assignment of peaks in the proton spectrum. Furthermore, the finite-pulse radio frequency driven recoupling sequence could be incorporated right after the selection of specific proton signals to monitor the intensity buildup for other proton signals. This enables the extraction of (1)H-(1)H distances between different pairs of protons. Therefore, we believe that the proposed method will greatly aid in fast assignment of peaks in proton spectra and will be useful in the development of proton-based multi-dimensional solid-state NMR experiments to study atomic-level resolution structure and dynamics of solids. PMID:26203019

  16. Selective excitation enables assignment of proton resonances and 1H-1H distance measurement in ultrafast magic angle spinning solid state NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy

    2015-07-01

    Remarkable developments in ultrafast magic angle spinning (MAS) solid-state NMR spectroscopy enabled proton-based high-resolution multidimensional experiments on solids. To fully utilize the benefits rendered by proton-based ultrafast MAS experiments, assignment of 1H resonances becomes absolutely necessary. Herein, we propose an approach to identify different proton peaks by using dipolar-coupled heteronuclei such as 13C or 15N. In this method, after the initial preparation of proton magnetization and cross-polarization to 13C nuclei, transverse magnetization of desired 13C nuclei is selectively prepared by using DANTE (Delays Alternating with Nutations for Tailored Excitation) sequence and then, it is transferred to bonded protons with a short-contact-time cross polarization. Our experimental results demonstrate that protons bonded to specific 13C atoms can be identified and overlapping proton peaks can also be assigned. In contrast to the regular 2D HETCOR experiment, only a few 1D experiments are required for the complete assignment of peaks in the proton spectrum. Furthermore, the finite-pulse radio frequency driven recoupling sequence could be incorporated right after the selection of specific proton signals to monitor the intensity buildup for other proton signals. This enables the extraction of 1H-1H distances between different pairs of protons. Therefore, we believe that the proposed method will greatly aid in fast assignment of peaks in proton spectra and will be useful in the development of proton-based multi-dimensional solid-state NMR experiments to study atomic-level resolution structure and dynamics of solids.

  17. Selective excitation enables assignment of proton resonances and {sup 1}H-{sup 1}H distance measurement in ultrafast magic angle spinning solid state NMR spectroscopy

    SciTech Connect

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy

    2015-07-21

    Remarkable developments in ultrafast magic angle spinning (MAS) solid-state NMR spectroscopy enabled proton-based high-resolution multidimensional experiments on solids. To fully utilize the benefits rendered by proton-based ultrafast MAS experiments, assignment of {sup 1}H resonances becomes absolutely necessary. Herein, we propose an approach to identify different proton peaks by using dipolar-coupled heteronuclei such as {sup 13}C or {sup 15}N. In this method, after the initial preparation of proton magnetization and cross-polarization to {sup 13}C nuclei, transverse magnetization of desired {sup 13}C nuclei is selectively prepared by using DANTE (Delays Alternating with Nutations for Tailored Excitation) sequence and then, it is transferred to bonded protons with a short-contact-time cross polarization. Our experimental results demonstrate that protons bonded to specific {sup 13}C atoms can be identified and overlapping proton peaks can also be assigned. In contrast to the regular 2D HETCOR experiment, only a few 1D experiments are required for the complete assignment of peaks in the proton spectrum. Furthermore, the finite-pulse radio frequency driven recoupling sequence could be incorporated right after the selection of specific proton signals to monitor the intensity buildup for other proton signals. This enables the extraction of {sup 1}H-{sup 1}H distances between different pairs of protons. Therefore, we believe that the proposed method will greatly aid in fast assignment of peaks in proton spectra and will be useful in the development of proton-based multi-dimensional solid-state NMR experiments to study atomic-level resolution structure and dynamics of solids.

  18. Spin polarization of the split Kondo state.

    PubMed

    von Bergmann, Kirsten; Ternes, Markus; Loth, Sebastian; Lutz, Christopher P; Heinrich, Andreas J

    2015-02-20

    Spin-resolved scanning tunneling microscopy is employed to quantitatively determine the spin polarization of the magnetic field-split Kondo state. Tunneling conductance spectra of a Kondo-screened magnetic atom are evaluated within a simple model taking into account inelastic tunneling due to spin excitations and two Kondo peaks positioned symmetrically around the Fermi energy. We fit the spin state of the Kondo-screened atom with a spin Hamiltonian independent of the Kondo effect and account for Zeeman splitting of the Kondo peak in the magnetic field. We find that the width and the height of the Kondo peaks scales with the Zeeman energy. Our observations are consistent with full spin polarization of the Kondo peaks, i.e., a majority spin peak below the Fermi energy and a minority spin peak above. PMID:25763966

  19. Stored waveform inverse fourier-transform (SWIFT) excitation for water-suppressed whole-body slice-selected proton chemical shift spectra at 1.5 tesla

    NASA Astrophysics Data System (ADS)

    Hsu, Annjia T.; Hunter, William W.; Schmalbrock, Petra; Marshall, Alan G.

    Proton NMR spectroscopy for the in vivo study of metabolites in a spatially resolved region with a clinical NMR imaging device must contend with the 70% hydration of normal man. Theoretical and experimental comparisons of several excitation waveforms designed to suppress the H 2O signal in proton NMR spectroscopy and chemical shift imaging have been conducted. In particular, we have compared the 1 overline33 overline1 and 1 overline1 pulse sequences with those obtained via a stored waveform inverse Fourier-transform (SWIFT) time-domain apodized waveform generated by inverse Fourier transformation of a quadratically phase-encoded excitation magnitude spectrum. Theoretical excitation profiles are compared to those measured in a slice selected with a General Electric Signa 1.5 T whole-body imaging system, and demonstrated for a phantom (toluene, dioxane, and dichloromethane). The SWIFT waveform is theoretically and experimentally superior to 1 overline1 and 1 overline33 overline1 for selective suppression of one spectral segment with simultaneous uniform excitation over the rest of the spectral frequency range. SWIFT-excited water-suppressed depth-resolved chemical shift spectra are demonstrated for human brain and human calf muscle of normal volunteers.

  20. Near-yrast, medium-spin, excited states of {sup 91}Rb, {sup 93}Rb, and {sup 95}Rb

    SciTech Connect

    Simpson, G. S.; Sieja, K.; Dare, J. A.; Orlandi, R.; Smith, A. G.; Tsekhanovich, I.; Varley, B. J.; Durell, J. L.; Smith, J. F.; Jolie, J.; Linneman, A.; Scherillo, A.; Soldner, T.; Faust, H.; Zlomaniec, A.; Rzaca-Urban, T.; Ahmad, I.; Greene, J. P.

    2010-08-15

    The medium-spin structure of the nuclei {sup 93}Rb and {sup 95}Rb is studied following the neutron-induced fission of {sup 235}U at the PF1B neutron guide, using the FIFI spectrometer, and at the Lohengrin mass spectrometer of the Institut Laue-Langevin Grenoble. These nuclei, plus {sup 91}Rb, are also studied following the spontaneous fission of {sup 248}Cm and {sup 252}Cf sources, using the EUROGAM-II and Gammasphere detector arrays, respectively. A high-spin isomeric state, with a half-life of 111(11) ns, is found in {sup 93}Rb at an excitation energy of 4422.4 keV, which most likely corresponds to the fully aligned [{pi}(g{sub 9/2}) x {nu}(g{sub 7/2}h{sub 11/2})]{sub 27/2}{sup -} configuration. An analogous configuration is proposed for the 5297.9-keV level observed in {sup 91}Rb. A new E3 decay branch of the 1133.9-keV isomer in {sup 91}Rb is found, for which the rather low transition rate of B(E3)=3.8(10) W.u. is determined. The energy of the isomeric state of {sup 95}Rb is now proposed to be at 810.6 keV, with a spin of (9/2{sup +}), and its half-life determined to be T{sub 1/2}=94(7) ns. A cascade of prompt transitions is observed on top of the 810.6-keV isomer in {sup 95}Rb. The near-yrast structures of {sup 91}Rb, {sup 93}Rb, and {sup 95}Rb are compared to the results of shell-model calculations, which support the proposed 27/2{sup -} interpretation of states in {sup 91}Rb and {sup 93}Rb. An analogous 27/2{sup -} state is expected to occur in {sup 95}Rb, as a long-lived isomer at 3.24 MeV. No such isomeric decay could be observed in a measurement using the Lohengrin spectrometer, which shows that, if it exists, its population, following the fission of {sup 235}U, is at least four times lower than that of the analogous 27/2{sup -} isomer in {sup 97}Y.

  1. Glass-like recovery of antiferromagnetic spin ordering in a photo-excited manganite Pr0.7Ca0.3MnO3

    SciTech Connect

    Zhou, S.Y.; Langner, M.C.; Zhu, Y.; Chuang, Y.-D.; Rini, M.; Glover, T.E.; Hertlein, M.P.; Gonzalez, A.G. Cruz; Tahir, N.; Tomioka, Y.; Tokura, Y.; Hussain, Z.; Schoenlein, R.W.

    2014-01-16

    Electronic orderings of charges, orbitals and spins are observed in many strongly correlated electron materials, and revealing their dynamics is a critical step toward understanding the underlying physics of important emergent phenomena. Here we use time-resolved resonant soft x-ray scattering spectroscopy to probe the dynamics of antiferromagnetic spin ordering in the manganite Pr0:7Ca0:3MnO3 following ultrafast photo-exitation. Our studies reveal a glass-like recovery of the spin ordering and a crossover in the dimensionality of the restoring interaction from quasi-1D at low pump fluence to 3D at high pump fluence. This behavior arises from the metastable state created by photo-excitation, a state characterized by spin disordered metallic droplets within the larger charge- and spin-ordered insulating domains. Comparison with time-resolved resistivity measurements suggests that the collapse of spin ordering is correlated with the insulator-to-metal transition, but the recovery of the insulating phase does not depend on the re-establishment of the spin ordering.

  2. Simulated infrared emission spectra of highly excited polyatomic molecules: a detailed model of the PAH-UIR hypothesis

    NASA Technical Reports Server (NTRS)

    Cook, D. J.; Saykally, R. J.

    1998-01-01

    A detailed description of the polycyclic aromatic hydrocarbon (PAH)/unidentified infrared band (UIR) mechanism is presented in which experimental spectral bandshape functions are used to simulate IR emission spectra for individual molecules. These spectra are additively superimposed to produce a conglomerate spectrum representative of a family of PAH molecules. Ab initio vibrational frequencies and intensities for nine PAHs (neutral and cationic) as large as ovalene are used in conjunction with measured bandshape and temperature-dependent redshift data to simulate the UIR bands. The calculated spectra of cations provide a closer match to the UIRs than do those of the neutrals. However, the PAH cations used in the simulations fail to reproduce the details of the UIR emission spectra. The discrepancies are potentially alleviated if both larger PAHs and a greater number of PAHs were included in the simulation.

  3. Energy dependence of the spin excitation anisotropy in uniaxial-strained BaFe1.9Ni0.1As2

    DOE PAGESBeta

    Song, Yu; Lu, Xingye; Abernathy, Douglas L.; Tam, David W.; Niedziela, Jennifer L.; Tian, Wei; Si, Qimiao; Dai, Pengcheng; Luo, Huiqian

    2015-11-06

    In this study, we use inelastic neutron scattering to study the temperature and energy dependence of the spin excitation anisotropy in uniaxial-strained electron-doped iron pnictide BaFe1.9Ni0.1As2 near optimal superconductivity (Tc = 20K). Our work has been motivated by the observation of in-plane resistivity anisotropy in the paramagnetic tetragonal phase of electron-underdoped iron pnictides under uniaxial pressure, which has been attributed to a spin-driven Ising-nematic state or orbital ordering. Here we show that the spin excitation anisotropy, a signature of the spin-driven Ising-nematic phase, exists for energies below 60 meV in uniaxial-strained BaFe1.9Ni0.1As2. Since this energy scale is considerably larger thanmore » the energy splitting of the dxz and dyz bands of uniaxial-strained Ba(Fe1–xCox)2As2 near optimal superconductivity, spin Ising-nematic correlations are likely the driving force for the resistivity anisotropy and associated electronic nematic correlations.« less

  4. Quantum dynamics of excitations and decoherence in many-spin systems detected with Loschmidt echoes: its relation to their spreading through the Hilbert space.

    PubMed

    Sánchez, C M; Levstein, P R; Buljubasich, L; Pastawski, H M; Chattah, A K

    2016-06-13

    In this work, we overview time-reversal nuclear magnetic resonance (NMR) experiments in many-spin systems evolving under the dipolar Hamiltonian. The Loschmidt echo (LE) in NMR is the signal of excitations which, after evolving with a forward Hamiltonian, is recovered by means of a backward evolution. The presence of non-diagonal terms in the non-equilibrium density matrix of the many-body state is directly monitored experimentally by encoding the multiple quantum coherences. This enables a spin counting procedure, giving information on the spreading of an excitation through the Hilbert space and the formation of clusters of correlated spins. Two samples representing different spin systems with coupled networks were used in the experiments. Protons in polycrystalline ferrocene correspond to an 'infinite' network. By contrast, the liquid crystal N-(4-methoxybenzylidene)-4-butylaniline in the nematic mesophase represents a finite proton system with a hierarchical set of couplings. A close connection was established between the LE decay and the spin counting measurements, confirming the hypothesis that the complexity of the system is driven by the coherent dynamics. PMID:27140972

  5. Energy dependence of the spin excitation anisotropy in uniaxial-strained BaFe1.9Ni0.1As2

    NASA Astrophysics Data System (ADS)

    Song, Yu; Lu, Xingye; Abernathy, D. L.; Tam, David W.; Niedziela, J. L.; Tian, Wei; Luo, Huiqian; Si, Qimiao; Dai, Pengcheng

    2015-11-01

    We use inelastic neutron scattering to study the temperature and energy dependence of the spin excitation anisotropy in uniaxial-strained electron-doped iron pnictide BaFe1.9Ni0.1As2 near optimal superconductivity (Tc=20 K ). Our work has been motivated by the observation of in-plane resistivity anisotropy in the paramagnetic tetragonal phase of electron-underdoped iron pnictides under uniaxial pressure, which has been attributed to a spin-driven Ising-nematic state or orbital ordering. Here we show that the spin excitation anisotropy, a signature of the spin-driven Ising-nematic phase, exists for energies below ˜60 meV in uniaxial-strained BaFe1.9Ni0.1As2 . Since this energy scale is considerably larger than the energy splitting of the dx z and dy z bands of uniaxial-strained Ba (Fe1-xCox) 2As2 near optimal superconductivity, spin Ising-nematic correlations are likely the driving force for the resistivity anisotropy and associated electronic nematic correlations.

  6. An efficient computational scheme for electronic excitation spectra of molecules in solution using the symmetry-adapted cluster-configuration interaction method: The accuracy of excitation energies and intuitive charge-transfer indices

    NASA Astrophysics Data System (ADS)

    Fukuda, Ryoichi; Ehara, Masahiro

    2014-10-01

    Solvent effects on electronic excitation spectra are considerable in many situations; therefore, we propose an efficient and reliable computational scheme that is based on the symmetry-adapted cluster-configuration interaction (SAC-CI) method and the polarizable continuum model (PCM) for describing electronic excitations in solution. The new scheme combines the recently proposed first-order PCM SAC-CI method with the PTE (perturbation theory at the energy level) PCM SAC scheme. This is essentially equivalent to the usual SAC and SAC-CI computations with using the PCM Hartree-Fock orbital and integrals, except for the additional correction terms that represent solute-solvent interactions. The test calculations demonstrate that the present method is a very good approximation of the more costly iterative PCM SAC-CI method for excitation energies of closed-shell molecules in their equilibrium geometry. This method provides very accurate values of electric dipole moments but is insufficient for describing the charge-transfer (CT) indices in polar solvent. The present method accurately reproduces the absorption spectra and their solvatochromism of push-pull type 2,2'-bithiophene molecules. Significant solvent and substituent effects on these molecules are intuitively visualized using the CT indices. The present method is the simplest and theoretically consistent extension of SAC-CI method for including PCM environment, and therefore, it is useful for theoretical and computational spectroscopy.

  7. An efficient computational scheme for electronic excitation spectra of molecules in solution using the symmetry-adapted cluster–configuration interaction method: The accuracy of excitation energies and intuitive charge-transfer indices

    SciTech Connect

    Fukuda, Ryoichi Ehara, Masahiro

    2014-10-21

    Solvent effects on electronic excitation spectra are considerable in many situations; therefore, we propose an efficient and reliable computational scheme that is based on the symmetry-adapted cluster-configuration interaction (SAC-CI) method and the polarizable continuum model (PCM) for describing electronic excitations in solution. The new scheme combines the recently proposed first-order PCM SAC-CI method with the PTE (perturbation theory at the energy level) PCM SAC scheme. This is essentially equivalent to the usual SAC and SAC-CI computations with using the PCM Hartree-Fock orbital and integrals, except for the additional correction terms that represent solute-solvent interactions. The test calculations demonstrate that the present method is a very good approximation of the more costly iterative PCM SAC-CI method for excitation energies of closed-shell molecules in their equilibrium geometry. This method provides very accurate values of electric dipole moments but is insufficient for describing the charge-transfer (CT) indices in polar solvent. The present method accurately reproduces the absorption spectra and their solvatochromism of push-pull type 2,2{sup ′}-bithiophene molecules. Significant solvent and substituent effects on these molecules are intuitively visualized using the CT indices. The present method is the simplest and theoretically consistent extension of SAC-CI method for including PCM environment, and therefore, it is useful for theoretical and computational spectroscopy.

  8. Zero-field splitting of the ground and excited triplet states of 2-naphthylphenylcarbene studied by hole-burning on triplet-triplet fluorescence excitation spectra

    NASA Astrophysics Data System (ADS)

    Kozankiewicz, B.; Bernard, J.; Migirdicyan, E.; Orrit, M.; Platz, M. S.

    1995-11-01

    Spectral holes were burned in the two main lines of the triplet-triplet 0-0 fluorescence excitation spectrum of 2-napththylphenylcarbene in n-hexane at 1.8 K. For the line assigned to pseudo-E/trans conformer, the central hole at the frequency of burning light has several narrow components separated by 0.3 ± 0.05 and 1.0 ± 0.1 GHz and a satellite doublet line on the low energy side, 14.5 ± 0.5 and 15.5 ± 0.5 GHz away. For the line assigned to the psuedo-Z/cis conformer, the central hole is accompanied by holes burned on the low energy side, 0.8 ± 0.1, 5.2 ± 0.1, 11.9 ± 0.1 and 16.2 ± 0.1 GHz away. The hole-burning pattern is explained by a model taking into account the zero-field splitting (ZFS) of the ground T 0 and excited T 1 triplet states as well as the selectivity of excitation relaxation by the intersystem crossing channel. Analysis provides information about the ZFS parameters of the T 1 state. For the pseudo-E/trans 2-NPC they are: D0 = 0.47 ± 0.02 cm -1, E0 = 0.017 ± 0.003 cm -1, D1 = 0.038 ± 0.003 cm -1 and E1 = 0.005 ± 0.001 cm -1.

  9. Estimation of ground and excited state dipole moment of laser dyes C504T and C521T using solvatochromic shifts of absorption and fluorescence spectra

    NASA Astrophysics Data System (ADS)

    Basavaraja, Jana; Suresh Kumar, H. M.; Inamdar, S. R.; Wari, M. N.

    2016-02-01

    The absorption and fluorescence spectra of laser dyes: coumarin 504T (C504T) and coumarin 521T (C521T) have been recorded at room temperature in a series of non-polar and polar solvents. The spectra of these dyes showed bathochromic shift with increasing in solvent polarity indicating the involvement of π → π* transition. Kamlet-Taft and Catalan solvent parameters were used to analyze the effect of solvents on C504T and C521T molecules. The study reveals that both general solute-solvent interactions and specific interactions are operative in these two systems. The ground state dipole moment was estimated using Guggenheim's method and also by quantum mechanical calculations. The solvatochromic data were used to determine the excited state dipole moment (μe). It is observed that dipole moment value of excited state (μe) is higher than that of the ground state in both the laser dyes indicating that these dyes are more polar in nature in the excited state than in the ground state.

  10. Recent research directions in Fribourg: nuclear dynamics in resonances revealed by 2-dimensional EEL spectra, electron collisions with ionic liquids and electronic excitation of pyrimidine

    NASA Astrophysics Data System (ADS)

    Allan, Michael; Regeta, Khrystyna; Gorfinkiel, Jimena D.; Mašín, Zdeněk; Grimme, Stefan; Bannwarth, Christoph

    2016-05-01

    The article briefly reviews three subjects recently investigated in Fribourg: (i) electron collisions with surfaces of ionic liquids, (ii) two-dimensional (2D) electron energy loss spectra and (iii) resonances in absolute cross sections for electronic excitation of unsaturated compounds. Electron energy loss spectra of four ionic liquids revealed a number of excited states, including triplet states. A solution of a dye in an ionic liquid showed an energy-loss band of the solute, but not in all ionic liquids. 2D spectra reveal state-to-state information (given resonance to given final state) and are shown to be an interesting means to gain insight into dynamics of nuclear motion in resonances. Absolute cross sections for pyrimidine are reported as a function of scattering angle and as a function of electron energy. They reveal resonant structure which was reproduced very nicely by R-matrix calculations. The calculation provided an assignment of the resonances which reveals common patterns in compounds containing double bonds.

  11. Origin of French virgin olive oil registered designation of origins predicted by chemometric analysis of synchronous excitation-emission fluorescence spectra.

    PubMed

    Dupuy, Nathalie; Le Dréau, Yveline; Ollivier, Denis; Artaud, Jacques; Pinatel, Christian; Kister, Jacky

    2005-11-30

    The authentication of virgin olive oil samples requires usually the use of sophisticated and very expensive analytical techniques, so there is a need for fast and inexpensive analytical techniques for use in a quality control methodology. Virgin olive oils present an intense fluorescence spectra. Synchronous excitation-emission fluorescence spectroscopy (SEEFS) was assessed for origin determination of virgin olive oil samples from five French registered designation of origins (RDOs) (Nyons, Vallée des Baux, Aix-en-Provence, Haute-Provence, and Nice). The spectra present bands between 600 and 700 nm in emission due to chlorophylls a and b and pheophytins a and b. The bands between 275 and 400 nm in emission were attributed to alpha-, beta-, and gamma-tocopherols and to phenolic compounds, which characterize the virgin olive oils compared to other edible oils. The chemometric treatment (PLS1) of synchronous excitation-emission fluorescence spectra allows one to determine the origin of the oils from five French RDOs (Baux, Aix, Haute-Provence, Nice, and Nyons). Results were quite satisfactory, despite the similarity between two denominations of origin (Baux and Aix) that are composed by some common cultivars (Aglandau and Salonenque). The interpretation of the regression coefficients shows that RDOs are correlated to chlorophylls, pheophytins, tocopherols, and phenols compounds, which are different for each origin. SEEFS is part of a global analytic methodology that associates spectroscopic and chromatographic techniques. This approach can be used for traceability and vindicates the RDOs. PMID:16302748

  12. Separated spin-up and spin-down evolution of degenerated electrons in two-dimensional systems: Dispersion of longitudinal collective excitations in plane and nanotube geometry

    NASA Astrophysics Data System (ADS)

    Andreev, Pavel A.; Kuz'menkov, L. S.

    2016-01-01

    Applying the separated spin evolution quantum hydrodynamics to the two-dimensional electron gas in plane samples and nanotubes located in external magnetic fields we have found a novel type of waves in the electron gas which is called spin-electron acoustic wave. A separate spin-up and spin-down electrons' evolution reveals the replacement of the Langmuir wave by a pair of hybrid waves. One of the two hybrid waves is a modified Langmuir wave. Another hybrid wave is a spin-electron acoustic wave. We studied the dispersion of these waves in two-dimensional structures of electrons. We also considered the dependence of dispersion properties on spin polarization of electrons in an external magnetic field.

  13. Optically Induced Nuclear Spin Polarization in the Quantum Hall Regime: The Effect of Electron Spin Polarization through Exciton and Trion Excitations

    NASA Astrophysics Data System (ADS)

    Akiba, K.; Kanasugi, S.; Yuge, T.; Nagase, K.; Hirayama, Y.

    2015-07-01

    We study nuclear spin polarization in the quantum Hall regime through the optically pumped electron spin polarization in the lowest Landau level. The nuclear spin polarization is measured as a nuclear magnetic field BN by means of the sensitive resistive detection. We find the dependence of BN on the filling factor nonmonotonic. The comprehensive measurements of BN with the help of the circularly polarized photoluminescence measurements indicate the participation of the photoexcited complexes, i.e., the exciton and trion (charged exciton), in nuclear spin polarization. On the basis of a novel estimation method of the equilibrium electron spin polarization, we analyze the experimental data and conclude that the filling factor dependence of BN is understood by the effect of electron spin polarization through excitons and trions.

  14. Optically Induced Nuclear Spin Polarization in the Quantum Hall Regime: The Effect of Electron Spin Polarization through Exciton and Trion Excitations.

    PubMed

    Akiba, K; Kanasugi, S; Yuge, T; Nagase, K; Hirayama, Y

    2015-07-10

    We study nuclear spin polarization in the quantum Hall regime through the optically pumped electron spin polarization in the lowest Landau level. The nuclear spin polarization is measured as a nuclear magnetic field B(N) by means of the sensitive resistive detection. We find the dependence of B(N) on the filling factor nonmonotonic. The comprehensive measurements of B(N) with the help of the circularly polarized photoluminescence measurements indicate the participation of the photoexcited complexes, i.e., the exciton and trion (charged exciton), in nuclear spin polarization. On the basis of a novel estimation method of the equilibrium electron spin polarization, we analyze the experimental data and conclude that the filling factor dependence of B(N) is understood by the effect of electron spin polarization through excitons and trions. PMID:26207494

  15. Characterizing double-resonance optical-pumping spectra of cesium 6P3/2 - 8S1/2 excited-state transition and its application

    NASA Astrophysics Data System (ADS)

    Yang, Baodong; Liang, Qiangbing; Zhang, Tiancai; Wang, Junmin

    2010-11-01

    The spectra of cesium 6P3/2 - 8S1/2 excited-state transition have been obtained using double resonance optical-pumping (DROP) technique in a room-temperature vapor cell, and have shown a much better signal-to-noise ratio (SNR) compared with that using the traditional optical-optical double resonance (OODR) method. Furthermore, the line-width of DROP spectra is obviously narrowed by electromagnetically-induced transparency (EIT) effect in cesium 6S1/2 F=4 - 6P3/2 F'=5 - 8S1/2 F''=4 transitions. Finally, such DROP spectrum of 6P3/2 F'=5 - 8S1/2 F''=4 transition with a high SNR and a narrow line-width is applied into frequency stabilization of a 795 nm external-cavity diode laser, and the residual frequency fluctuation is ~ 600 kHz within 500 s.

  16. Neutron Scattering Studies of spin excitations in hole-doped Ba0.67K0.33Fe2As2 superconductor

    PubMed Central

    Zhang, Chenglin; Wang, Meng; Luo, Huiqian; Wang, Miaoyin; Liu, Mengshu; Zhao, Jun; Abernathy, D. L.; Maier, T. A.; Marty, Karol; Lumsden, M. D.; Chi, Songxue; Chang, Sung; Rodriguez-Rivera, Jose A.; Lynn, J. W.; Xiang, Tao; Hu, Jiangping; Dai, Pengcheng

    2011-01-01

    We report inelastic neutron scattering experiments on single crystals of superconducting Ba0.67K0.33Fe2As2 (Tc = 38 K). In addition to confirming the resonance previously found in powder samples, we find that spin excitations in the normal state form longitudinally elongated ellipses along the QAFM direction in momentum space, consistent with density functional theory predictions. On cooling below Tc, while the resonance preserves its momentum anisotropy as expected, spin excitations at energies below the resonance become essentially isotropic in the in-plane momentum space and dramatically increase their correlation length. These results suggest that the superconducting gap structures in Ba0.67Ka0.33Fe2As2 are more complicated than those suggested from angle resolved photoemission experiments. PMID:22355632

  17. Neutron Scattering Studies of spin excitations in hole-doped Ba0.67K0.33Fe2As2 superconductor

    SciTech Connect

    Zhang, Chenglin; Wang, Meng; Luo, H.Q.; Wang, Miaoyin; Liu, Mengshu; Zhao, Jun; Abernathy, Douglas L; Maier, Thomas A; Lumsden, Mark D; Chi, Songxue; Chang, Sung; Rodriguez-Rivera, J A; Lynn, J. W.; Xiang, T.; Hu, Jiangping; Dai, P.

    2012-01-01

    We report inelastic neutron scattering experiments on single crystals of superconducting Ba{sub 0.67}K{sub 0.33}Fe{sub 2}As{sub 2} (T{sub c} = 538 K). In addition to confirming the resonance previously found in powder samples, we find that spin excitations in the normal state form longitudinally elongated ellipses along the Q(AFM) direction in momentum space, consistent with density functional theory predictions. On cooling below T{sub c}, while the resonance preserves its momentum anisotropy as expected, spin excitations at energies below the resonance become essentially isotropic in the in-plane momentum space and dramatically increase their correlation length. These results suggest that the superconducting gap structures in Ba{sub 0.67}K{sub 0.33}Fe{sub 2}As{sub 2} are more complicated than those suggested from angle resolved photoemission experiments.

  18. Electronic Raman scattering with excitation between localized states observed in the zinc M{sub 2,3} soft x-ray spectra of ZnS

    SciTech Connect

    Zhou, L.; Callcott, T.A.; Jia, J.J.

    1997-04-01

    Zn M{sub 2,3} soft x-ray fluorescence (SXF) spectra of ZnS and ZnS{sub .5}Se{sub .5} excited near threshold show strong inelastic scattering effects that can be explained using a simple model and an inelastic scattering theory based on second order perturbation theory. This scattering is often called electronic resonance Raman scattering. Tulkki and Aberg have developed this theory in detail for atomic systems, but their treatment can be applied to solid systems by utilizing electronic states characteristic of solids rather than of atomic systems.

  19. Haldane-Hubbard Mott Insulator: From Tetrahedral Spin Crystal to Chiral Spin Liquid

    NASA Astrophysics Data System (ADS)

    Hickey, Ciaran; Cincio, Lukasz; Papic, Zlatko; Paramekanti, Arun

    Motivated by recent experimental realizations of artificial gauge fields in ultracold atoms, we study the honeycomb lattice Haldane-Hubbard Mott insulator of spin- 1 / 2 fermions using exact diagonalization and density matrix renormalization group methods. We show that this model exhibits various chiral magnetic orders including a wide regime of triple-Q tetrahedral order. Incorporating third-neighbor hopping frustrates and ultimately melts this tetrahedral spin crystal. From analyzing low energy spectra, many-body Chern numbers, entanglement spectra, and modular matrices, we identify the molten state as a chiral spin liquid with gapped semion excitations.

  20. Study of the Effect of the Pulse Width of the Excitation Source on the Two-Photon Absorption and Two-Photon Circular Dichroism Spectra of Biaryl Derivatives.

    PubMed

    Vesga, Yuly; Hernandez, Florencio E

    2016-09-01

    Herein we report on the expanded theoretical calculations and the experimental measurements of the two-photon absorption (TPA) and two-photon circular dichroism (TPCD) spectra of a series of optically active biaryl derivatives (R-BINOL, R-VANOL, and R-VAPOL) using femtosecond pulses. The comparative analysis of the experimental TPCD spectra obtained with our tunable amplified femtosecond system with those previously measured in our group on the same series of compounds in the picosecond regime reveals a decrease in the amplitude of the signal and an improvement in matching with the theory in the former. These results can be explained based on the negligible contribution of excited state absorption (ESA) using femtosecond pulses compared to the picosecond regime. We show how ESA affects both the strength of the signal and the shape of the TPA and TPCD spectra. TPA and TPCD spectra were obtained using the double L-scan technique over a broad spectral range (450-750 nm) using 90 fs pulses at 50 Hz repetition rate produced by an amplified femtosecond system. The theoretical calculations were performed using modern analytical response theory within the time-dependent density functional theory (TD-DFT) approach using CAM-B3LYP and 6-311++G(d,p) basis sets. PMID:27525702

  1. Impact of magnetic fluctuations on lattice excitations in fcc nickel

    NASA Astrophysics Data System (ADS)

    Körmann, Fritz; Ma, Pui-Wai; Dudarev, Sergei L.; Neugebauer, Jörg

    2016-02-01

    The spin-space averaging formalism is applied to compute atomic forces and phonon spectra for magnetically excited states of fcc nickel. Transverse and longitudinal magnetic fluctuations are taken into account by a combination of magnetic special quasi random structures and constrained spin-density-functional theory. It turns out that for fcc Ni interatomic force constants and phonon spectra are almost unaffected by both kinds of spin fluctuations. Given the computational expense to simulate coupled magnetic and atomic fluctuations, this insight facilitates computational modeling of magnetic alloys such as Ni-based superalloys.

  2. Quasi-two-dimensional spin and phonon excitations in La1.965Ba0.035CuO4

    DOE PAGESBeta

    Wagman, J. J.; Parshall, D.; Stone, Matthew B.; Savici, Andrei T.; Zhao, Yang; Dabkowska, H. A.; Gaulin, B. D.

    2015-06-03

    Here, we present time-of-fight inelastic neutron scattering measurements of La1.965Ba0.035CuO4 (LBCO), a lightly doped member of the high temperature superconducting La-based cuprate family. By using time-of-flight neutron instrumentation coupled with single crystal sample rotation we obtain a four-dimensional data set (three Q and one energy) that is both comprehensive and spans a large region of reciprocal space. Our measurements identify rich structure in the energy dependence of the highly dispersive spin excitations, which are centered at equivalent (1/2, 1/2, L) wave-vectors. These structures correlate strongly with several crossings of the spin excitations with the lightly dispersive phonons found in thismore » system. These eects are signicant and account for on the order of 25% of the total inelastic scattering for energies between ≈5 and 40meV at low |Q|. Interestingly, this scattering also presents little or no L-dependence. As the phonons and dispersive spin excitations centred at equivalent (1/2, 1/2, L) wave-vectors are common to all members of La-based 214 copper oxides, we conclude such strong quasi-two dimensional scattering enhancements are likely to occur in all such 214 families of materials, including those concentrations corresponding to superconducting ground states. Such a phenomenon appears to be a fundamental characteristic of these materials and is potentially related to superconducting pairing.« less

  3. Three-magnon splitting and confluence processes for spin-wave excitations in yttrium iron garnet films: Wave vector selective Brillouin light scattering measurements and analysis

    NASA Astrophysics Data System (ADS)

    Ordóñez-Romero, César L.; Kalinikos, Boris A.; Krivosik, Pavol; Tong, Wei; Kabos, Pavel; Patton, Carl E.

    2009-04-01

    Brillouin light scattering (BLS) has been used to observe and confirm the existence of nonlinear three magnon splitting and confluence processes for propagating spin waves in the magnetostatic backward volume wave configuration. Wave vector and frequency selective BLS techniques were also used to provide a quantitative map of the wave vector make-up for the parametrically excited half-frequency dipole-exchange spin wave (DESW) split magnons and the confluence magnons that result from the recombination of these DESW modes. The experimental wave vector maps for the product splitting and confluence magnons matched nicely with those expected from spin-wave theory. The data were obtained with (1) a strip line excitation/detection transducer structure, (2) forward-scattering BLS optics, (3) a fixed magnetic field of 352 Oe applied along the propagation direction, (4) pumping frequencies from 2.5 down to 2.1 GHz, (5) and cw input powers from 200μW to 6 mW. The wave vector selective measurements utilized variable diameter circular diaphragms, rotatable slit apertures, and circular light blocks to access spin waves with wave numbers from about 100 to 3.6×104rad/cm and the full 360° range of propagation angles.

  4. Infrared spectra and molecular structure of excited electronic metastable states of the nitroprusside anion, [Fe(CN) 5NO] 2-

    NASA Astrophysics Data System (ADS)

    Güida, J. A.; Aymonino, P. J.; Piro, O. E.; Castellano, E. E.

    1993-04-01

    Na 2[Fe(CN) 5NO].2H 2O (SNP) and Ba[Fe(CN) 5NO].3H 2O (BNP) irradiated at low temperature with light in the green—blue region exhibit two new sets of infrared (IR) bands. These can be assigned to two, long-lived, electronically excited metastable states of the [Fe(CN) 5NO] 2- (NP) ion. Upon heating, these states depopulate following decay processes with different onset temperatures. We considerably extend here previous polarized IR data on irradiated SNP (100) plates to include the other basal planes. All IR-active CN, NO and FeN stretching modes and FENO bending modes of NP in both metastable states exhibit frequency down shifts This points to a softening of the corresponding bonds upon excitation. Relative frequency shift values observed for modes associated with the FeNO group are about one order of magnitude larger than the corresponding values for CN stretching modes. This supports the conclusion that the metastable states are reached through an electronic transition involving mainly the metal( nd)-NO bonding. We employ dichroic measurements in SNP to estimate the orientation in the lattice of the transition dipole moment vector corresponding to the NO mode of NP in both metastable states. Results show that the FeNO group is not appreciably bent upon excitation of NP to either of these states.

  5. Interference effects in Auger resonant Raman spectra of CO via selective vibrational excitations across the O 1s{yields}2{pi} resonance

    SciTech Connect

    Tanaka, T.; Shindo, H.; Kitajima, M.; Tanaka, H.; Makochekanwa, C.; De Fanis, A.; Tamenori, Y.; Okada, K.; Feifel, R.; Sorensen, S.; Kukk, E.; Ueda, K.

    2005-08-15

    The Auger resonant Raman spectra of CO, arising from the transitions to the X and A final electronic states of CO{sup +}, have been recorded at photon energies corresponding to the vibrational excitations v{sup '}=3,5, and 8 in the O 1s{yields}2{pi} resonance. The spectra are simulated within the model that takes into account both the lifetime-vibrational interference (LVI) and interference with the nonresonant photoemission. The spectroscopic parameters, {omega}{sub e}, {omega}{sub e}x{sub e}, {gamma} and r{sub e}, of the O 1s{sup -1}2{pi} core-excited state, necessary for the simulation, have been derived by fitting the Franck-Condon simulation to the total ion yield spectrum, assuming a Morse potential for the O 1s{sup -1}2{pi} state. Not only the LVI but also the interference with the nonresonant photoemission turn out to be significant.

  6. Fluorescence Excitation Spectra of Photo-Fragmented Nitrobenzene Using a Picosecond Laser: Potential Evidence for no Produced by Two Distinct Channels.

    NASA Astrophysics Data System (ADS)

    Lue, Christopher J.; Tanjaroon, Chakree; Johnson, J. Bruce; Reeve, Scott W.; Allen, Susan D.

    2013-06-01

    Upon absorption of a UV photon, nitrobenzene can dissociate into C_6H_5O and NO through two different mechanisms. Evidence for these mechanisms was obtained from velocity map imaging (VMI) studies and theoretical calculations. VMI experiments showed NO produced with two distinct rotational distributions, which the calculations explained as a fast and a slow channel for NO production. We have recorded high resolution fluorescence excitation spectra of the NO resulting from photo-fragmented nitrobenzene using a pulsed picosecond tunable laser (pulse width ≈ 15 ps) by means of a two-color process. In the two-color process, photons of a particular energy dissociated the nitrobenzene while photons of a different energy probed the A^2Σ^+← X^2Π_{(1/2,3/2)} NO band system between 225-260 nm. This laser system allowed us to vary the delay between the photolysis and excitation pulses. At longer delays (>1 ns), we observed an increase in the population of NO, which may be evidence that at least two photolysis channels produce NO. We present the spectra we recorded at various photolysis/probe delays ranging from 0.025 to 1.5 ns. The spectral subtraction method we used to observe the production increase is introduced. Hause, M. L.; Herath, N.; Zhu, R.; Lin, M. C. and Suits, A. G. Nat Chem, Nature Publishing Group, 2011, 3, 932-937

  7. Spectra, Emission Yields, Cross Sections, and Kinetic Energy Distributions of Hydrogen Atoms from H2 X 1Eg+-d 3IIu Excitation by Electron Impact

    NASA Astrophysics Data System (ADS)

    Liu, Xianming; Shemansky, Donald E.; Yoshii, Jean; Johnson, Paul V.; Malone, Charles P.; Ajello, Joseph M.

    2016-02-01

    Electron-impact excitation of H2 triplet states plays an important role in the heating of outer planet upper thermospheres. The {d}3{{{\\Pi }}}u state is the third ungerade triplet state, and the {d}3{{{\\Pi }}}u-a{}3{{{Σ }}}g+ emission is the largest cascade channel for the a{}3{{{Σ }}}g+ state. Accurate energies of the d{}3{{{\\Pi }}}u-(v, J) levels are calculated from an ab initio potential energy curve. Radiative lifetimes of the {d}3{{{\\Pi }}}u(v, J) levels are obtained by an accurate evaluation of the {d}3{{{\\Pi }}}u-a{}3{{{Σ }}}g+ transition probabilities. The emission yields are determined from experimental lifetimes and calculated radiative lifetimes and are further verified by comparing experimental and synthetic {d}3{{{\\Pi }}}u-a{}3{{{Σ }}}g+ spectra at 20 eV impact energy. Spectral analysis revealed that multipolar components beyond the dipolar term are required to model the {X}1{{{Σ }}}g+-{d}3{{{\\Pi }}}u excitation, and significant cascade excitation occurs at the {d}3{{{\\Pi }}}u(v = 0,1) levels. Kinetic energy (Ek) distributions of H atoms produced via predissociation of the {d}3{{{\\Pi }}}u state and the {d}3{{{\\Pi }}}u-a{}3{{{Σ }}}g+-b{}3{{{Σ }}}u+ cascade dissociative emission are obtained. Predissociation of the {d}3{{{\\Pi }}}u state produces H atoms with an average Ek of 2.3 ± 0.4 eV/atom, while the Ek distribution of the {d}3{{{\\Pi }}}u-a{}3{{{Σ }}}g+-b{}3{{{Σ }}}u+ channel is similar to that of the {X}1{{{Σ }}}g+-a{}3{{{Σ }}}g+-b{}3{{{Σ }}}u+ channel and produces H(1s) atoms with an average Ek of 1.15 ± 0.05 eV/atom. On average, each H2 excited to the {d}3{{{\\Pi }}}u state in an H2-dominated atmosphere deposits 3.3 ± 0.4 eV into the atmosphere, while each H2 directly excited to the a{}3{{{Σ }}}g+ state gives 2.2-2.3 eV to the atmosphere. The spectral distribution of the calculated a{}3{{{Σ }}}g+ -b{}3{{{Σ }}}u+ continuum emission due to the {X}1{{{Σ }}}g+-{d}3{{{\\Pi }}}u excitation is significantly different from

  8. Theory of spin resonance in a chiral helimagnet

    NASA Astrophysics Data System (ADS)

    Kishine, Jun-Ichiro; Ovchinnikov, A. S.

    2009-06-01

    It is suggested that marked features of symmetry-breaking mechanism and elementary excitations in chiral helimagnet come up as visible effects in electron-spin-resonance (ESR) profile. Under the magnetic field applied parallel and perpendicular to the helical axis, elementary excitations are, respectively, described by the helimagnon associated with rotational symmetry breaking and the magnetic kink crystal phonon associated with translational symmetry breaking. We demonstrate how the ESR spectra distinguish these excitations.

  9. Near infrared excited micro-Raman spectra of 4:1 methanol-ethanol mixture and ruby fluorescence at high pressure

    NASA Astrophysics Data System (ADS)

    Wang, X. B.; Shen, Z. X.; Tang, S. H.; Kuok, M. H.

    1999-06-01

    Near infrared (NIR) lasers, as a new excitation source for Raman spectroscopy, has shown its unique advantages and is being increasingly used for some special samples, such as those emitting strong fluorescence in the visible region. This article focuses on some issues related to high-pressure micro-Raman spectroscopy using NIR excitation source. The Raman spectra of 4:1 methanol-ethanol mixture (4:1 M-E) show a linear variation in both Raman shifts and linewidths under pressure up to 18 GPa. This result is useful in distinguishing Raman scattering of samples from that of the alcohol mixture, an extensively used pressure-transmitting medium. The R1 fluorescence in the red region induced by two-photon absorption of the NIR laser is strong enough to be used as pressure scale. The frequency and line width of the R1 lines are very sensitive to pressure change and the glass transition of the pressure medium. Our results manifest that it is reliable and convenient to use NIR induced two-photon excited fluorescence of ruby for both pressure calibration and distribution of pressure in the 4:1 M-E pressure transmitting medium.

  10. Excitation and propagation of X-ray fluorescence through thin devices with hollowed ordered structures: comparison of experimental and theoretical spectra.

    PubMed

    Mazuritskiy, M I; Dabagov, S B; Marcelli, A; Lerer, A M; Dziedzic-Kocurek, K

    2016-01-01

    The lack of models describing the propagation of X-rays in waveguides and the interference mechanism between incident and reflected radiation waves hamper the understanding and the control of wave propagation phenomena occurring in many real systems. Here, experimental spectra collected at the exit of microchannel plates (MCPs) under the total X-ray reflection condition are presented. The results are discussed in the framework of a theoretical model in which the wave propagation is enhanced by the presence of a transition layer at the surface. The angular distributions of the propagating radiation at the exit of these MCPs with microchannels of ∼3 µm diameter will also be presented and discussed. These spectra show contributions associated with the reflection of the primary monochromatic beam and with the fluorescence radiation originating from the excitation of atoms composing the surface of the microchannel. The soft X-ray fluorescence spectra collected at the exit of microcapillaries were analyzed in the framework of a wave approximation while diffraction contributions observed at the exit of these hollow X-ray waveguides have been calculated using the Fraunhofer diffraction model for waves in the far-field domain. Data collected at the Si L-edge show that in glassy MCPs the fluorescence radiation can be detected only when the energy of the primary monochromatic radiation is above the absorption edge for grazing angles higher than half of the critical angle of the total reflection phenomenon. Experimental data and simulations of the propagating radiation represent a clear experimental confirmation of the channeling phenomenon of the excited fluorescence radiation inside a medium and point out that a high transmission can be obtained in waveguide optics for parameters relevant to X-ray imaging. PMID:26698074

  11. Theory of X-ray absorption and resonant X-ray emission spectra by electric quadrupole excitation in light rare-earth systems

    NASA Astrophysics Data System (ADS)

    Nakazawa, M.; Fukui, K.; Kotani, A.

    2003-02-01

    We have made precise theoretical calculations for both 2 p3/2→4 f X-ray absorption spectroscopy (XAS) and 4 d→2 p3/2 resonant X-ray emission spectroscopy (RXES) by electric quadrupole excitations at the L3 edge of light rare-earth elements, by means of atomic model with full multiplet effects. The calculation is based on the second-order optical formula, and the effect of the incident photon polarization is taken into account. It is shown that the 4 d-4 f interaction plays a more important role in 4 d→2 p3/2 RXES than the 4 f-4 f interaction does. Moreover, the calculated results of 4 d→2 p3/2 RXES show the strong polarization dependence, and it is originated from the spin multiplicity, which is derived from the 4 d-4 f interaction, of the RXES final states.

  12. The role of the F spin-orbit excited state in the F+H(2) and F+HD reactions

    NASA Astrophysics Data System (ADS)

    Tzeng, Yi-Ren

    In this dissertation we study the role of the F spin-orbit excited state (F*) in the F + H2 and F + HD reactions using quantum mechanical calculations. The calculations involve multiple potential energy surfaces (the Alexander-Stark-Werner, or ASW, PESs), and include an accurate treatment of the couplings (non-adiabatic, spin-orbit, and Coriolis) among all three electronic states. For the F + H2 reaction, we calculate the center-of-mass differential cross sections and laboratory-frame angular distributions at the four different combinations of collision energies and hydrogen isotopomer investigated in the experiments of Neumark et al. [J. Chem. Phys., 82, 3045 (1985)]. Comparisons with the calculations on the Stark-Werner (SW) and Hartke-Stark-Werner (HSW) PESs, which are limited to the lowest electronically adiabatic state, show that non-adiabatic couplings greatly reduce backward scattering. Surprisingly, we find the shapes of both the CM DCSs and LAB ADs are insensitive to the fraction of F* presented in the F beam. For the F + HD reaction, we calculate the excitation functions and product translational energy distribution functions to study the reactivity of F*. Comparisons with the experiment by Liu and co-workers [J. Chem. Phys., 113, 3633 (2000)] confirm the relatively low reactivity of spin-orbit excited state (F*) atoms. Excellent agreement with the experiment is obtained under the assumption that the F*:F concentration ratio equals 0.16:0.84 in the molecular beam, which corresponds to a thermal equilibrium of the two spin-orbit states at the experimental temperature (600K). From the accurate calculation of the F* reactivity and its relatively small contribution to the overall reactivity of the reaction, we attribute discrepancies between calculation and experiment to an inadequacy in the simulation of the reactivity of the F ground state, likely a result of the residual errors in the ground electronic potential energy surface.

  13. Spin-flip, tensor equation-of-motion configuration interaction with a density-functional correction: A spin-complete method for exploring excited-state potential energy surfaces

    NASA Astrophysics Data System (ADS)

    Zhang, Xing; Herbert, John M.

    2015-12-01

    We revisit the formalism of the spin-adapted, spin-flip (SA-SF) configuration-interaction singles (CIS) method based on a tensor equation-of-motion formalism that affords proper spin eigenstates without sacrificing single-reference simplicity. Matrix elements for SA-SF-CIS are then modified in a manner similar to collinear spin-flip time-dependent density functional theory (SF-TDDFT), to include a DFT exchange-correlation correction. The performance of this method, which we call SA-SF-DFT, is evaluated numerically and we find that it systematically improves the energies of electronic states that exhibit significant spin contamination within the conventional SF-TDDFT approach. The new method cures the state assignment problem that plagues geometry optimizations and ab initio molecular dynamics simulations using traditional SF-TDDFT, without sacrificing computational efficiency, and furthermore provides correct topology at conical intersections, including those that involve the ground state, unlike conventional TDDFT. As such, SA-SF-DFT appears to be a promising method for generating excited-state potential energy surfaces at DFT cost.

  14. Spin-flip, tensor equation-of-motion configuration interaction with a density-functional correction: A spin-complete method for exploring excited-state potential energy surfaces

    SciTech Connect

    Zhang, Xing; Herbert, John M.

    2015-12-21

    We revisit the formalism of the spin-adapted, spin-flip (SA-SF) configuration-interaction singles (CIS) method based on a tensor equation-of-motion formalism that affords proper spin eigenstates without sacrificing single-reference simplicity. Matrix elements for SA-SF-CIS are then modified in a manner similar to collinear spin-flip time-dependent density functional theory (SF-TDDFT), to include a DFT exchange-correlation correction. The performance of this method, which we call SA-SF-DFT, is evaluated numerically and we find that it systematically improves the energies of electronic states that exhibit significant spin contamination within the conventional SF-TDDFT approach. The new method cures the state assignment problem that plagues geometry optimizations and ab initio molecular dynamics simulations using traditional SF-TDDFT, without sacrificing computational efficiency, and furthermore provides correct topology at conical intersections, including those that involve the ground state, unlike conventional TDDFT. As such, SA-SF-DFT appears to be a promising method for generating excited-state potential energy surfaces at DFT cost.

  15. One-Dimensional Fluorescent Silicon Nanorods Featuring Ultrahigh Photostability, Favorable Biocompatibility, and Excitation Wavelength-Dependent Emission Spectra.

    PubMed

    Song, Bin; Zhong, Yiling; Wu, Sicong; Chu, Binbin; Su, Yuanyuan; He, Yao

    2016-04-13

    We herein report a kind of one-dimensional biocompatible fluorescent silicon nanorods (SiNRs) with tunable lengths ranging ∼100-250 nm, which can be facilely prepared through one-pot microwave synthesis. In addition to the strong fluorescence (quantum yield value: ∼15%) and negligible toxicity, the resultant SiNRs exhibit excitation wavelength-dependent photoluminescence whose maximum emission wavelength ranges from ∼450 to ∼600 nm under serial excitation wavelengths from 390 to 560 nm, providing feasibility for multicolor biological imaging. More significantly, the SiNRs are ultrahighly photostable, preserving strong and nearly unchanged fluorescence under 400 min high-power UV irradiation, which is in sharp contrast to severe fluorescence quenching of organic dyes (e.g., FITC) or II-VI quantum dots (QDs) (e.g., CdTe QDs and CdSe/ZnS QDs) within 15 or 160 min UV treatment under the same experiment conditions, respectively. Taking advantage of these attractive merits, we further exploit the SiNRs as a novel type of color converters for the construction of white light-emitting diodes (LED), which is the first proof-of-concept demonstration of LED device fabricated using the one-dimensional fluorescent silicon nanostructures. PMID:27010956

  16. Using nitroxide spin labels. How to obtain T1e from continuous wave electron paramagnetic resonance spectra at all rotational rates.

    PubMed Central

    Haas, D A; Mailer, C; Robinson, B H

    1993-01-01

    Historically, the continuous wave electron paramagnetic resonance (CW-EPR) progressive saturation method has been used to obtain information on the spin-lattice relaxation time (T1e) and those processes, such as motion and spin exchange, that occur on a competitive timescale. For example, qualitative information on local dynamics and solvent accessibility of proteins and nucleic acids has been obtained by this method. However, making quantitative estimates of T1e from CW-EPR spectra have been frustrated by a lack of understanding of the role of T1e (and T2e) in the slow-motion regime. Theoretical simulation of the CW-EPR lineshapes in the slow-motion region under increasing power levels has been used in this work to test whether the saturation technique can produce quantitative estimates of the spin-lattice relaxation rates. A method is presented by which the correct T1e may be extracted from an analysis of the power-saturation rollover curve, regardless of the amount of inhomogeneous broadening or the rates of molecular reorientation. The range of motional correlation times from 10 to 200 ns should be optimal for extracting quantitative estimates of T1e values in spin-labeled biomolecules. The progressive-saturation rollover curve method should find wide application in those areas of biophysics where information on molecular interactions and solvent exposure as well as molecular reorientation rates are desired. PMID:8386009

  17. Excited light meson spectroscopy from lattice QCD

    SciTech Connect

    Christopher Thomas, Hadron Spectrum Collaboration

    2012-04-01

    I report on recent progress in calculating excited meson spectra using lattice QCD, emphasizing results and phenomenology. With novel techniques we can now extract extensive spectra of excited mesons with high statistical precision, including spin-four states and those with exotic quantum numbers. As well as isovector meson spectra, I will present new calculations of the spectrum of excited light isoscalar mesons, something that has up to now been a challenge for lattice QCD. I show determinations of the flavor content of these mesons, including the eta-eta' mixing angle, providing a window on annihilation dynamics in QCD. I will also discuss recent work on using lattice QCD to map out the energy-dependent phase shift in pi-pi scattering and future applications of the methodology to the study of resonances and decays.

  18. Electronic spectra and excited state dynamics of pentafluorophenol: Effects of low-lying πσ{sup ∗} states

    SciTech Connect

    Karmakar, Shreetama; Mukhopadhyay, Deb Pratim; Chakraborty, Tapas

    2015-05-14

    Multiple fluorine atom substitution effect on photophysics of an aromatic chromophore has been investigated using phenol as the reference system. It has been noticed that the discrete vibronic structure of the S{sub 1}←S{sub 0} absorption system of phenol vapor is completely washed out for pentafluorophenol (PFP), and the latter also shows very large Stokes shift in the fluorescence spectrum. For excitations beyond S{sub 1} origin, the emission yield of PFP is reduced sharply with increase in excess vibronic energy. However, in a collisional environment like liquid hydrocarbon, the underlying dynamical process that drives the non-radiative decay is hindered drastically. Electronic structure theory predicts a number of low-lying dark electronic states of πσ{sup ∗} character in the vicinity of the lowest valence ππ{sup ∗} state of this molecule. Tentatively, we have attributed the excitation energy dependent non-radiative decay of the molecule observed only in the gas phase to an interplay between the lowest ππ{sup ∗} and a nearby dissociative πσ{sup ∗} state. Measurements in different liquids reveal that some of the dark excited states light up with appreciable intensity only in protic liquids like methanol and water due to hydrogen bonding between solute and solvents. Electronic structure theory methods indeed predict that for PFP-(H{sub 2}O){sub n} clusters (n = 1-11), intensities of a number of πσ{sup ∗} states are enhanced with increase in cluster size. In contrast with emitting behavior of the molecule in the gas phase and solutions of nonpolar and polar aprotic liquids, the fluorescence is completely switched off in polar protic liquids. This behavior is a chemically significant manifestation of perfluoro effect, because a very opposite effect occurs in the case of unsubstituted phenol for which fluorescence yield undergoes a very large enhancement in protic liquids. Several dynamical mechanisms have been suggested to interpret the

  19. Exciton Lines in Luminescence Spectra of NixZn1-xO under Inner Shell Excitation

    NASA Astrophysics Data System (ADS)

    Churmanov, V. N.; Sokolov, V. I.; Gruzdev, N. B.; Ivanov, V. Yu.; Pustovarov, V. A.

    The paper presents the results of the study of two narrow luminescence lines I1 and I2 at the energies of 3.339 and 3.393 eV respectively in NiO and solid state solution Ni0.6Zn0.4O. The luminescence spectroscopy with a sub-nanosecond time resolution upon selective photoexcitation in the energy range of absorption of the inner shells Zn M- and Ni L2,3- edges of Zn- and Ni- ions was used to promote proposed earlier mechanism of origin of luminescence lines I1 and I2. Photoluminescence decay kinetics of NiO and solid state solution Ni0.6Zn0.4O under soft x-ray excitation are discussed. The doublet of I1 and I2 lines is believed to arise due to the radiative annihilation of p-d excitons.

  20. Automated, ab initio calculations of X-ray spectra including many-body excitations and vibrational damping

    NASA Astrophysics Data System (ADS)

    Jorissen, Kevin; Story, Shauna; Rehr, John

    2014-03-01

    Accurate calculations of x-ray absorption spectra (XAS) often require linking several materials science codes. To reduce the complexity and support the hardware requirements of such calculations, we have virtualized XAS modeling workflows using a Cloud-based approach, with interfacing and configuration of codes handled by developers, and virtual HPC resources allocated on demand. When coupled to user-friendly GUIs this puts powerful multi-code simulations in the hands of general users. For instance, FEFF users can improve XAS interpretation and analysis using accurate ab initio Debye-Waller factors and self energy from the ABINIT DFT code, rather than semi-empirical models. Additionally, such workflows allow robust automation of large-scale calculation sets such as the Materials Project where our approach could enable a theoretical spectroscopy database of many thousands of structures for systematic study of materials. Supported by NSF-1216716.