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Sample records for impurity heisenberg model

  1. Type-I integrable quantum impurities in the Heisenberg model

    NASA Astrophysics Data System (ADS)

    Doikou, Anastasia

    2013-12-01

    Type-I quantum impurities are investigated in the context of the integrable Heisenberg model. This type of defects is associated to the (q)-harmonic oscillator algebra. The transmission matrices associated to this particular type of defects are computed via the Bethe ansatz methodology for the XXX model, as well as for the critical and non-critical XXZ spin chain. In the attractive regime of the critical XXZ spin chain the transmission amplitudes for the breathers are also identified.

  2. Heisenberg necklace model in a magnetic field

    NASA Astrophysics Data System (ADS)

    Tsvelik, A. M.; Zaliznyak, I. A.

    2016-08-01

    We study the low-energy sector of the Heisenberg necklace model. Using the field-theory methods, we estimate how the coupling of the electronic spins with the paramagnetic Kondo spins affects the overall spin dynamics and evaluate its dependence on a magnetic field. We are motivated by the experimental realizations of the spin-1/2 Heisenberg chains in SrCuO2 and Sr2CuO3 cuprates, which remain one-dimensional Luttinger liquids down to temperatures much lower than the in-chain exchange coupling J . We consider the perturbation of the energy spectrum caused by the interaction γ with nuclear spins (I =3 /2 ) present on the same sites. We find that the resulting necklace model has a characteristic energy scale, Λ ˜J1 /3(γI ) 2 /3 , at which the coupling between (nuclear) spins of the necklace and the spins of the Heisenberg chain becomes strong. This energy scale is insensitive to a magnetic field B . For μBB >Λ we find two gapless bosonic modes that have different velocities, whose ratio at strong fields approaches a universal number, √{2 }+1 .

  3. Influence of the nonmagnetic impurities on the spin-1 Heisenberg chain SrNi2V2O8 system

    NASA Astrophysics Data System (ADS)

    Giapintzakis, J.; Androulakis, J.; Syskakis, E.; Papageorgiou, Th. P.; Apostolopoulos, G.; Thanos, S.; Papastaikoudis, C.

    Dc-magnetization and heat capacity measurements on polycrystalline samples of SrNi2-x Mgx V2O8 (x = 0 and 0.05) are reported. The magnetization data suggest that both compounds are S = 1 quasi one-dimensional Heisenberg antiferromagnets. The substitution of non-magnetic impurity Mg2+ ions for Ni2+ induces a magnetic phase transition at ?3.7 K. A simple Hamiltonian model is proposed for these systems giving good quantitative agreement with the experimental magnetization data. The intrachain magnetic exchange constant (J 1/k B) and the Haldane gap (? ) for both compounds are estimated to be ?105 K and ?58.3 K (5.02 meV), respectively.

  4. Integrable higher order deformations of Heisenberg supermagnetic model

    SciTech Connect

    Guo Jiafeng; Yan Zhaowen; Wang Shikun; Wu Ke; Zhao Weizhong

    2009-11-15

    The Heisenberg supermagnet model is an integrable supersymmetric system and has a close relationship with the strong electron correlated Hubbard model. In this paper, we investigate the integrable higher order deformations of Heisenberg supermagnet models with two different constraints: (i) S{sup 2}=3S-2I for S is an element of USPL(2/1)/S(U(2)xU(1)) and (ii) S{sup 2}=S for S is an element of USPL(2/1)/S(L(1/1)xU(1)). In terms of the gauge transformation, their corresponding gauge equivalent counterparts are derived.

  5. Gapless chiral spin liquid in a kagome Heisenberg model

    NASA Astrophysics Data System (ADS)

    Bieri, Samuel; Messio, Laura; Bernu, Bernard; Lhuillier, Claire

    2015-08-01

    Motivated by recent experiments on the Heisenberg S =1 /2 quantum spin liquid candidate material kapellasite, we classify all possible chiral (time-reversal symmetry breaking) spin liquids with fermionic spinons on the kagome lattice. We obtain the phase diagram for the physically relevant extended Heisenberg model, comparing the energies of a wide range of microscopic variational wave functions. We propose that, at low temperature, kapellasite exhibits a gapless chiral spin liquid phase with spinon Fermi surfaces. This two-dimensional state inherits many properties of the nearby one-dimensional phase of decoupled antiferromagnetic spin chains, but also shows some remarkable differences. We discuss the spin structure factors and other physical properties.

  6. Impurity effects of transverse Ising model with multi-impurity

    NASA Astrophysics Data System (ADS)

    Huang, Xuchu; Yang, Zhihua

    2015-02-01

    We study the transverse Ising spin model with multi-impurity under the exact solution. The influence mechanisms of the concentration, configuration, impurity-inducing-interaction are investigated through the deformation energy, long-range order and the specific heat. It reveals a way that the impurities have crucial effects on the magnetic order of the system, which can be used to scale the order-disorder transition. In particular, the change of the exchange coupling interaction or magnetic field can lead to the deviation of the phase point. Moreover, the impurity excitation cannot be neglected in thermodynamic properties even though the concentration is only a few percent.

  7. Global phase diagram of a doped Kitaev-Heisenberg model

    SciTech Connect

    Okamoto, Satoshi

    2013-01-01

    The global phase diagram of a doped Kitaev-Heisenberg model is studied using an $SU(2)$ slave-boson mean-field method. Near the Kitaev limit, $p$-wave superconducting states which break the time-reversal symmetry are stabilized as reported by You {\\it et al.} [Phys. Rev. B {\\bf 86}, 085145 (2012)] irrespective of the sign of the Kitaev interaction. By further doping, a $d$-wave superconducting state appears when the Kitaev interaction is antiferromagnetic, while another $p$-wave superconducting state appears when the Kitaev interaction is ferromagnetic. This $p$-wave superconducting state does not break the time-reversal symmetry as reported by Hyart {\\it et al.} [Phys. Rev. B {\\bf 85}, 140510 (2012)], and such a superconducting state also appears when the antiferromagnetic Kitaev interaction and the ferromagnetic Heisenberg interaction compete. This work, thus, demonstrates the clear difference between the antiferromagnetic Kitaev model and the ferromagnetic Kitaev model when carriers are doped while these models are equivalent in the undoped limit, and how novel superconducting states emerge when the Kitaev interaction and the Heisenberg interaction compete.

  8. Decay of transverse correlations in quantum Heisenberg models

    SciTech Connect

    Björnberg, Jakob E. E-mail: daniel@ueltschi.org; Ueltschi, Daniel E-mail: daniel@ueltschi.org

    2015-04-15

    We study a class of quantum spin systems that include the S=1/2 Heisenberg and XY-models and prove that two-point correlations exhibit exponential decay in the presence of a transverse magnetic field. The field is not necessarily constant, it may be random, and it points in the same direction. Our proof is entirely probabilistic and it relies on a random loop representations of the correlation functions, on stochastic domination and on first-passage percolation.

  9. Transverse Ising model with multi-impurity

    NASA Astrophysics Data System (ADS)

    Huang, Xuchu; Yang, Zhihua

    2015-05-01

    We study the transverse Ising spin model with spin-1 impurities under the exact solution. We develop a universal method to deal with the multi-impurity problem by introducing a displacement quantity in the wave function and get a recursive formula to simplify the calculation of the partition function. This allows us to rigorously determine the impurity effects for a specific distribution of impurity in the thermodynamic limit. The low temperature behaviors are governed by the interplay between host and impurity excitations, and the quantum critical fluctuations around the critical point of the transverse Ising model are tuned by the transverse field and the concentration of impurity. However the impurity effects are limited, which depends on the host-impurity exchange interaction and the coupling strength of impurities.

  10. Spin transport in a one-dimensional anisotropic Heisenberg model.

    PubMed

    Znidarič, Marko

    2011-06-01

    We analytically and numerically study spin transport in a one-dimensional Heisenberg model in linear-response regime at infinite temperature. It is shown that as the anisotropy parameter Δ is varied spin transport changes from ballistic for Δ<1 to anomalous at the isotropic point Δ=1, to diffusive for finite Δ>1, ending up as a perfect isolator in the Ising limit of infinite Δ. Using perturbation theory for large Δ a quantitative prediction is made for the dependence of diffusion constant on Δ. PMID:21702588

  11. Fractionalized Fermi liquid in a Kondo-Heisenberg model

    NASA Astrophysics Data System (ADS)

    Tsvelik, A. M.

    2016-10-01

    The Kondo-Heisenberg model is used as a controllable tool to demonstrate the existence of a peculiar metallic state with unbroken translational symmetry where the Fermi surface volume is not controlled by the total electron density. I use a nonperturbative approach where the strongest interactions are taken into account by means of exact solution, and corrections are controllable. In agreement with the general requirements formulated by T. Senthil et al. [Phys. Rev. Lett. 90, 216403 (2003), 10.1103/PhysRevLett.90.216403], the resulting metallic state represents a fractionalized Fermi liquid where well defined quasiparticles coexist with gapped fractionalized collective excitations. The system undergoes a phase transition to an ordered phase (charge density wave or superconducting), at the transition temperature which is parametrically small in comparison to the quasiparticle Fermi energy.

  12. Two Spin Liquid phases in the anisotropic triangular Heisenberg model

    NASA Astrophysics Data System (ADS)

    Sorella, Sandro

    2005-03-01

    Recently there have been rather clean experimental realizations of the quantum spin 1/2 Heisenberg Hamiltonian on a 2D triangular lattice geometry in systems like Cs2Cu Cl4 and organic compounds like k-(ET)2Cu2(CN)3. These materials are nearly two dimensional and are characterized by an anisotropic antiferromagnetic superexchange. The strength of the spatial anisotropy can increase quantum fluctuations and can destabilize the magnetically ordered state leading to non conventional spin liquid phases. In order to understand these interesting phenomena we have studied, by Quantum Monte Carlo methods, the triangular lattice Heisenberg model as a function of the strength of this anisotropy, represented by the ratio r between the intra-chain nearest neighbor coupling J' and the inter-chain one J. We have found evidence of two spin liquid regions, well represented by projected BCS wave functions[1,2] of the type proposed by P. W. Anderson at the early stages of High temperature superconductivity [3]. The first spin liquid phase is stable for small values of the coupling r 0.6 and appears gapless and fractionalized, whereas the second one is a more conventional spin liquid, very similar to the one realized in the quantum dimer model in the triangular lattice[4]. It is characterized by a spin gap and a finite correlation length, and appears energetically favored in the region 0.6 r 0.9. The various phases are in good agreement with the experimental findings and supports the existence of spin liquid phases in 2D quantum spin-half systems. %%%%%%%%%%%%%%%%%% 1cm *[1] L. Capriotti F. Becca A. Parola and S. Sorella , Phys. Rev. Letters 87, 097201 (2001). *[2] S. Yunoki and S. Sorella Phys. Rev. Letters 92, 15003 (2004). *[3] P. W. Anderson, Science 235, 1186 (1987). *[4] P. Fendley, R. Moessner, and S. L. Sondhi Phys. Rev. B 66, 214513 (2002).

  13. Density matrix renormalization group study of triangular Kitaev-Heisenberg model

    NASA Astrophysics Data System (ADS)

    Sota, Shigetoshi; Sjinjo, Kazuya; Shirakawa, Tomonori; Tohyama, Takami; Yunoki, Seiji

    2015-03-01

    Topological insulator has been one of the most active subjects in the current condensed matter physics. For most of topological insulators electron correlations are considered to be not essential. However, in the case where electron correlations are strong, novel phases such as a spin liquid phase can emerge in competition with a spin-orbit coupling. Here, using the density matrix renormalization group method, we investigate magnetic phase of a triangular Kitaev-Heisenberg (quantum compass) model that contains a spin-orbital interaction and spin frustration in the antiferromagnetic region. The triangular Kitaev-Heisenberg model is regarded as a dual model of the honeycomb Kitaev-Heisenberg model that is usually employed to discuss A2CuO3 (A=Na, K). Systematically calculating ground state energy, entanglement entropy, entanglement spectrum, and spin-spin correlation functions, we discuss the duality between the triangular and the honeycomb Kitaev-Heisenberg model as well as the ground state magnetic phases.

  14. Stapp's quantum dualism: The James and Heisenberg model of consciousness

    NASA Astrophysics Data System (ADS)

    Noyes, H. P.

    1994-02-01

    Henry Stapp attempts to resolve the Cartesian dilemma by introducing what the author would characterize as an ontological dualism between mind and matter. His model for mind comes from William James' description of conscious events and for matter from Werner Heisenberg's ontological model for quantum events (wave function collapse). His demonstration of the isomorphism between the two types of events is successful, but in the author's opinion fails to establish a monistic, scientific theory. The author traces Stapp's failure to his adamant rejection of arbitrariness, or 'randomness.' This makes it impossible for him (or for Bohr and Pauli before him) to understand the power of Darwin's explanation of biology, let alone the triumphs of modern 'neo-Darwinism.' The author notes that the point at issue is a modern version of the unresolved opposition between Leucippus and Democritus on one side and Epicurus on the other. Stapp's views are contrasted with recent discussions of consciousness by two eminent biologists: Crick and Edelman. They locate the problem firmly in the context of natural selection on the surface of the earth. Their approaches provide a sound basis for further scientific work. The author briefly examines the connection between this scientific (rather than ontological) framework and the new fundamental theory based on bit-strings and the combinatorial hierarchy.

  15. Employing Taylor and Heisenberg subfilter viscosities to simulate turbulent statistics in LES models

    NASA Astrophysics Data System (ADS)

    Degrazia, G. A.; Rizza, U.; Puhales, F. S.; Welter, G. S.; Acevedo, O. C.; Maldaner, S.

    2012-02-01

    A turbulent subfilter viscosity for Large Eddy Simulation (LES) based on the Taylor statistical diffusion theory is proposed. This viscosity is described in terms of a velocity variance and a time scale, both associated to the inertial subrange. This new subfilter viscosity contains a cutoff wavenumber kc, presenting an identical form (differing by a constant) to the Heisenberg subfilter viscosity. Therefore, both subfilter viscosities are described in terms of a sharp division between large and small wavenumbers of a turbulent flow and, henceforth, Taylor and Heisenberg subfilter viscosities are in agreement with the sharp Fourier filtering operation, frequently employed in LES models. Turbulent statistics of different orders, generated from atmospheric boundary layer simulations employing both Taylor and Heisenberg subfilter viscosities have been compared with observations and results provided by other simulations. The comparison shows that the LES model utilizing the approaches of Taylor and Heisenberg reproduces these turbulent statistics correctly in different vertical regions of a planetary convective boundary layer (CBL).

  16. Models for impurity effects in tokamaks

    SciTech Connect

    Hogan, J.T.

    1980-03-01

    Models for impurity effects in tokamaks are described with an emphasis on the relationship between attainment of high ..beta.. and impurity problems. We briefly describe the status of attempts to employ neutral beam heating to achieve high ..beta.. in tokamaks and propose a qualitative model for the mechanism by which heavy metal impurities may be produced in the startup phase of the discharge. We then describe paradoxes in impurity diffusion theory and discuss possible resolutions in terms of the effects of large-scale islands and sawtooth oscillations. Finally, we examine the prospects for the Zakharov-Shafranov catastrophe (long time scale disintegration of FCT equilibria) in the context of present and near-term experimental capability.

  17. Fractional magnetization plateaus of the spin-1/2 Heisenberg orthogonal-dimer chain: Strong-coupling approach developed from the exactly solved Ising-Heisenberg model

    NASA Astrophysics Data System (ADS)

    Verkholyak, Taras; Strečka, Jozef

    2016-10-01

    The spin-1/2 Heisenberg orthogonal-dimer chain is considered within the perturbative strong-coupling approach, which is developed from the exactly solved spin-1/2 Ising-Heisenberg orthogonal-dimer chain with the Heisenberg intradimer and the Ising interdimer couplings. Although the spin-1/2 Ising-Heisenberg orthogonal-dimer chain exhibits just intermediate plateaus at zero, one-quarter, and one-half of the saturation magnetization, the perturbative treatment up to second order stemming from this exactly solvable model additionally corroborates the fractional one-third plateau as well as the gapless Luttinger spin-liquid phase. It is evidenced that the approximate results obtained from the strong-coupling approach are in an excellent agreement with the state-of-the-art numerical data obtained for the spin-1/2 Heisenberg orthogonal-dimer chain within the exact diagonalization and density-matrix renormalization group method. The nature of individual quantum ground states is comprehensively studied within the developed perturbation theory.

  18. Dissipative phases in the one-dimensional Kondo-Heisenberg model

    NASA Astrophysics Data System (ADS)

    Lobos, Alejandro; Cazalilla, Miguel A.; Chudzinski, Piotr

    2012-02-01

    Atomic-sized magnetic structures built on clean metallic surfaces are currently under intense investigation [1]. Besides their potential uses in quantum information storage and processing, these systems allow to ask fundamental questions in condensed matter physics. In particular, the interplay between the Kondo effect (i.e., the screening of the atomic magnetic moment by conduction electrons) and Heisenberg exchange interactions between magnetic impurities has been recently investigated with scanning tunneling microscopy (STM) [2]. Inspired by the above developments, we study an one-dimensional chain of S=1/2 Kondo impurities coupled by anisotropic Heisenberg-Ising exchange and embedded in a two-dimensional metallic substrate. Remarkably, in the case of easy-plane exchange, we find a novel quantum phase exhibiting long-range order at zero temperature. We discuss implications of the existence of this phase for possible experiments. References: [1] R. Wiesendanger, RMP 81, 1495 (2009). [2] P. Wahl et al, PRL 98, 056601 (2007) and references therein.

  19. Topological triple-vortex lattice stabilized by mixed frustration in expanded honeycomb Kitaev-Heisenberg model.

    PubMed

    Yao, Xiaoyan; Dong, Shuai

    2016-01-01

    The expanded classical Kitaev-Heisenberg model on a honeycomb lattice is investigated with the next-nearest-neighboring Heisenberg interaction considered. The simulation shows a rich phase diagram with periodic behavior in a wide parameter range. Beside the double 120° ordered phase, an inhomogeneous phase is uncovered to exhibit a topological triple-vortex lattice, corresponding to the hexagonal domain structure of vector chirality, which is stabilized by the mixed frustration of two sources: the geometrical frustration arising from the lattice structure as well as the frustration from the Kitaev couplings. PMID:27229486

  20. Topological triple-vortex lattice stabilized by mixed frustration in expanded honeycomb Kitaev-Heisenberg model

    PubMed Central

    Yao, Xiaoyan; Dong, Shuai

    2016-01-01

    The expanded classical Kitaev-Heisenberg model on a honeycomb lattice is investigated with the next-nearest-neighboring Heisenberg interaction considered. The simulation shows a rich phase diagram with periodic behavior in a wide parameter range. Beside the double 120° ordered phase, an inhomogeneous phase is uncovered to exhibit a topological triple-vortex lattice, corresponding to the hexagonal domain structure of vector chirality, which is stabilized by the mixed frustration of two sources: the geometrical frustration arising from the lattice structure as well as the frustration from the Kitaev couplings. PMID:27229486

  1. Long-range order for the spin-1 Heisenberg model with a small antiferromagnetic interaction

    SciTech Connect

    Lees, Benjamin

    2014-09-15

    We look at the general SU(2) invariant spin-1 Heisenberg model. This family includes the well-known Heisenberg ferromagnet and antiferromagnet as well as the interesting nematic (biquadratic) and the largely mysterious staggered-nematic interaction. Long range order is proved using the method of reflection positivity and infrared bounds on a purely nematic interaction. This is achieved through the use of a type of matrix representation of the interaction making clear several identities that would not otherwise be noticed. Using the reflection positivity of the antiferromagnetic interaction one can then show that the result is maintained if we also include an antiferromagnetic interaction that is sufficiently small.

  2. Bound States in Boson Impurity Models

    NASA Astrophysics Data System (ADS)

    Shi, Tao; Wu, Ying-Hai; González-Tudela, A.; Cirac, J. I.

    2016-04-01

    The formation of bound states involving multiple particles underlies many interesting quantum physical phenomena, such as Efimov physics or superconductivity. In this work, we show the existence of an infinite number of such states for some boson impurity models. They describe free bosons coupled to an impurity and include some of the most representative models in quantum optics. We also propose a family of wave functions to describe the bound states and verify that it accurately characterizes all parameter regimes by comparing its predictions with exact numerical calculations for a one-dimensional tight-binding Hamiltonian. For that model, we also analyze the nature of the bound states by studying the scaling relations of physical quantities, such as the ground-state energy and localization length, and find a nonanalytical behavior as a function of the coupling strength. Finally, we discuss how to test our theoretical predictions in experimental platforms, such as photonic crystal structures and cold atoms in optical lattices.

  3. Thermal and magnetic quantum discord in Heisenberg models

    SciTech Connect

    Werlang, T.; Rigolin, Gustavo

    2010-04-15

    We investigate how quantum correlations [quantum discord (QD)] of a two-qubit one-dimensional XYZ Heisenberg chain in thermal equilibrium depend on the temperature T of the bath and also on an external magnetic field B. We show that the behavior of thermal QD differs in many unexpected ways from thermal entanglement. For example, we show situations where QD increases with T when entanglement decreases, cases where QD increases with T even in regions with zero entanglement, and that QD signals a quantum phase transition even at finite T. We also show that by properly tuning B or the interaction between the qubits we get nonzero QD for any T and we present an effect not seen for entanglement, the 'regrowth' of thermal QD.

  4. The Potts model on a Bethe lattice with nonmagnetic impurities

    SciTech Connect

    Semkin, S. V. Smagin, V. P.

    2015-10-15

    We have obtained a solution for the Potts model on a Bethe lattice with mobile nonmagnetic impurities. A method is proposed for constructing a “pseudochaotic” impurity distribution by a vanishing correlation in the arrangement of impurity atoms for the nearest sites. For a pseudochaotic impurity distribution, we obtained the phase-transition temperature, magnetization, and spontaneous magnetization jumps at the phase-transition temperature.

  5. A nonlinear lattice model for Heisenberg helimagnet and spin wave instabilities

    NASA Astrophysics Data System (ADS)

    Ludvin Felcy, A.; Latha, M. M.; Christal Vasanthi, C.

    2016-10-01

    We study the dynamics of a Heisenberg helimagnet by presenting a square lattice model and proposing the Hamiltonian associated with it. The corresponding equation of motion is constructed after averaging the Hamiltonian using a suitable wavefunction. The stability of the spin wave is discussed by means of Modulational Instability (MI) analysis. The influence of various types of inhomogeneities in the lattice is also investigated by improving the model.

  6. Topological basis realization for BMW algebra and Heisenberg XXZ spin chain model

    NASA Astrophysics Data System (ADS)

    Liu, Bo; Xue, Kang; Wang, Gangcheng; Liu, Ying; Sun, Chunfang

    2015-04-01

    In this paper, we study three-dimensional (3D) reduced Birman-Murakami-Wenzl (BMW) algebra based on topological basis theory. Several examples of BMW algebra representations are reviewed. We also discuss a special solution of BMW algebra, which can be used to construct Heisenberg XXZ model. The theory of topological basis provides a useful method to solve quantum spin chain models. It is also shown that the ground state of XXZ spin chain is superposition state of topological basis.

  7. Nontrivial ferrimagnetism of the Heisenberg model on the Union Jack strip lattice

    NASA Astrophysics Data System (ADS)

    Shimokawa, Tokuro; Nakano, Hiroki

    2013-08-01

    We study the ground-state properties of the S = 1/2 antiferromagnetic Heisenberg model on the Union Jack strip lattice by using the exact-diagonalization and density matrix renormalization group methods. We confirm a region of a magnetization state intermediate between the Néel-like spin liquid state and the conventional ferrimagnetic state of a Lieb-Mattis type. In the intermediate state, we find that the spontaneous magnetization changes gradually with respect to the strength of the inner interaction. In addition, the local magnetization clearly shows an incommensurate modulation with long-distance periodicity in the intermediate magnetization state. These characteristic behaviors lead to the conclusion that the intermediate magnetization state is a non-Lieb-Mattis ferrimagnetic one. We also discuss the relationship between the ground-state properties of the S = 1/2 antiferromagnetic Heisenberg model on the original Union Jack lattice and those on our strip lattice.

  8. Zigzag order and phase competition in expanded Kitaev-Heisenberg model on honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Yao, Xiaoyan

    2015-07-01

    The Kitaev-Heisenberg model on the honeycomb lattice is investigated in two cases: (I) with the Kitaev interaction between the nearest neighbors, and (II) with the Kitaev interaction between the next nearest neighbors. In the full parameter range, the ground states are searched by Monte Carlo simulation and identified by evaluating the correlation functions. The energies of different phases are calculated and compared with the simulated result to show the phase competition. It is observed from both energy calculation and the density of states that the zigzag order shows a symmetric behavior to the stripy phase in the pure Kitaev-Heisenberg model. By considering more interactions in both cases, the energy of zigzag order can be reduced lower than the energies of other states. Thus the zigzag phase may be stabilized in more parameter region and even extended to the whole parameter range.

  9. Correlation functions of the antiferromagnetic Heisenberg model using a modified Lanczos method

    NASA Astrophysics Data System (ADS)

    Gagliano, Eduardo R.; Dagotto, Elbio; Moreo, Adriana; Alcaraz, Francisco C.

    1986-08-01

    Using a modified Lanczos algorithm, we study the correlation functions in the ground state of the one-dimensional antiferromagnetic Heisenberg model. We obtain numerical results for rings up to 24 sites. There are no indications of the anomalous behavior of these correlation functions recently observed in chains with 16 sites. We also present a pedagogical description of the hashing technique which is an efficient algorithm for searching and storage purposes.

  10. Extension of Lieb-Schupp theorem to Heisenberg models with higher-order interactions

    NASA Astrophysics Data System (ADS)

    Tanaka, Kengo

    2016-10-01

    We extend the Lieb-Schupp theorem to Heisenberg models with higher-order interactions on nonfrustrated or frustrated finite lattices. These lattices are constructed by even-numbered rings with or without crossing bonds and have reflection symmetry. The results show that the ground state has total spin zero in wide interaction parameter regions which are not covered by the results of Marshall-Lieb-Mattis-type arguments.

  11. Renormalization-group calculation of excitation properties for impurity models

    NASA Astrophysics Data System (ADS)

    Yoshida, M.; Whitaker, M. A.; Oliveira, L. N.

    1990-05-01

    The renormalization-group method developed by Wilson to calculate thermodynamical properties of dilute magnetic alloys is generalized to allow the calculation of dynamical properties of many-body impurity Hamiltonians. As a simple illustration, the impurity spectral density for the resonant-level model (i.e., the U=0 Anderson model) is computed. As a second illustration, for the same model, the longitudinal relaxation rate for a nuclear spin coupled to the impurity is calculated as a function of temperature.

  12. {\\varvec{Φ -Ψ }} model for electrodynamics in dielectric media: exact quantisation in the Heisenberg representation

    NASA Astrophysics Data System (ADS)

    Belgiorno, Francesco; Cacciatori, Sergio L.; Dalla Piazza, Francesco; Doronzo, Michele

    2016-06-01

    We investigate the quantisation in the Heisenberg representation of a model which represents a simplification of the Hopfield model for dielectric media, where the electromagnetic field is replaced by a scalar field φ and the role of the polarisation field is played by a further scalar field ψ . The model, which is quadratic in the fields, is still characterised by a non-trivial physical content, as the physical particles correspond to the polaritons of the standard Hopfield model of condensed matter physics. Causality is also taken into account and a discussion of the standard interaction representation is also considered.

  13. 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.

  14. Unconventional pairing and electronic dimerization instabilities in the doped Kitaev-Heisenberg model

    NASA Astrophysics Data System (ADS)

    Scherer, Daniel D.; Scherer, Michael M.; Khaliullin, Giniyat; Honerkamp, Carsten; Rosenow, Bernd

    2014-07-01

    We study the quantum many-body instabilities of the t-JK-JH Kitaev-Heisenberg Hamiltonian on the honeycomb lattice as a minimal model for a doped spin-orbit Mott insulator. This spin-1/2 model is believed to describe the magnetic properties of the layered transition-metal oxide Na2IrO3. We determine the ground state of the system with finite charge-carrier density from the functional renormalization group (fRG) for correlated fermionic systems. To this end, we derive fRG flow equations adapted to the lack of full spin-rotational invariance in the fermionic interactions, here represented by the highly frustrated and anisotropic Kitaev exchange term. Additionally employing a set of the Ward identities for the Kitaev-Heisenberg model, the numerical solution of the flow equations suggests a rich phase diagram emerging upon doping charge carriers into the ground-state manifold (Z2 quantum spin liquids and magnetically ordered phases). We corroborate superconducting triplet p-wave instabilities driven by ferromagnetic exchange and various singlet pairing phases. For filling δ >1/4, the p-wave pairing gives rise to a topological state with protected Majorana edge modes. For antiferromagnetic Kitaev and ferromagnetic Heisenberg exchanges, we obtain bond-order instabilities at van Hove filling supported by nesting and density-of-states enhancement, yielding dimerization patterns of the electronic degrees of freedom on the honeycomb lattice. Further, our flow equations are applicable to a wider class of model Hamiltonians.

  15. Random exchange interaction effects on the phase transitions in frustrated classical Heisenberg model

    SciTech Connect

    Li, W. C.; Song, X.; Feng, J. J.; Zeng, M.; Gao, X. S.; Qin, M. H.; Jia, X. T.

    2015-07-07

    In this work, the effects of the random exchange interaction on the phase transitions and phase diagrams of classical frustrated Heisenberg model are investigated by Monte Carlo simulation in order to simulate the chemical doping effect in real materials. It is observed that the antiferromagnetic transitions shift toward low temperature with the increasing magnitude of the random exchange interaction, which can be qualitatively understood from the competitions among local spin states. This study is related to the magnetic properties in the doped iron-based superconductors.

  16. Chiral spin liquid in the extended Heisenberg model on the Kagome lattice

    NASA Astrophysics Data System (ADS)

    Hu, Wenjun; Zhu, Wei; Zhang, Yi; Gong, Shoushu; Becca, Federico; Sheng, Dongning; Donna Sheng Team

    2015-03-01

    We investigate the extended Heisenberg model on the Kagome lattice by using Gutzwiller projected fermionic states and the variational Monte Carlo technique. In particular, when both second- and third-neighbor super-exchanges are considered, we find that a gapped spin liquid described by non-trivial magnetic fluxes and long-range chiral-chiral correlations is energetically favored compared to the gapless U(1) Dirac state. Furthermore, the topological Chern number, obtained by integrating the Berry curvature, and the degeneracy of the ground state, by constructing linearly independent states, lead us to identify this flux state as the chiral spin liquid with C = 1 / 2 fractionalized Chern number.

  17. A Numerical Study of Entanglement Entropy of the Heisenberg Model on a Bethe Cluster

    NASA Astrophysics Data System (ADS)

    Friedman, Barry; Levine, Greg

    Numerical evidence is presented for a nearest neighbor Heisenberg spin model on a Bethe cluster, that by bisecting the cluster, the generalized Renyi entropy scales as the number of sites in the cluster. This disagrees with spin wave calculations and a naive application of the area law but agrees with previous results for non interacting fermions on the Bethe cluster. It seems this scaling is not an artifact of non interacting particles. As a consequence, the area law in greater then one dimension is more subtle then generally thought and applications of the density matrix renormalization group to Bethe clusters face difficulties at least as a matter of principle.

  18. The Design of Control Pulses for Heisenberg Always-On Qubit Models

    NASA Astrophysics Data System (ADS)

    Magyar, Rudolph

    2015-03-01

    One model for a universal quantum computer is a spin array with constant nearest neighbor interactions and a controlled unidirectional site-specific magnetic field to generate unitary transformations. This system can be described by a Heisenberg spin Hamiltonian and can be simulated for on the order of 50 spins. It has recently been shown that time-dependent density functional inspired methods may be used to relate various spin models of qubits to ones that may be easier to compute numerically allowing potentially the efficient simulation of greater numbers of spins. One of the challenges of such an agenda is the identification of control pulses that produce desired gate operations (CNOT and single qubit phase gates). We apply control theory to design a universal set of pulses for a Heisenberg always-on model Hamiltonian for a few qubits and compare to known pulses when available. We suggest how this approach may be useful to design control pulses in other realistic designs. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Security Administration under contract DE-AC04-94AL85000.

  19. Modified Heisenberg model for the zig-zag structure in multiferroic RMn2O5

    NASA Astrophysics Data System (ADS)

    Bahoosh, Safa Golrokh; Wesselinowa, Julia M.; Trimper, Steffen

    2015-08-01

    The class of RMn2O5 (R = Ho, Tb, Y, Eu) compounds offers multiferroic properties where the refined magnetic zig-zag order breaks the inversion symmetry. Varying the temperature, the system undergoes a magnetic and a subsequent ferroelectric phase transition where the ferroelectricity is magnetically induced. We propose a modified anisotropic Heisenberg model that can be used as a tractable analytical model studying the properties of those antiferromagnetic zig-zag spin chains. Based on a finite temperature Green's function method, it is shown that the polarization is induced solely by different exchange couplings of the two different Mn4+ and Mn3+ magnetic ions. We calculate the excitation energy of the spin system for finite temperatures, which for its part determines the temperature dependent magnetization and polarization. The ferroelectric phase transition is manifested as a kink in the excitation energy. The variation of the polarization by an external magnetic field depends strongly on the direction of that field. Whereas, the polarization in b-direction increases with an external magnetic field as well in b-direction it can be switched for strong fields in a-direction. The results based on that modified Heisenberg model are in qualitative agreement with experimental data.

  20. Stapp`s quantum dualism: The James/Heisenberg model of consciousness

    SciTech Connect

    Noyes, H.P.

    1994-02-18

    Henry Stapp attempts to resolve the Cartesian dilemma by introducing what the author would characterize as an ontological dualism between mind and matter. His model for mind comes from William James` description of conscious events and for matter from Werner Heisenberg`s ontological model for quantum events (wave function collapse). His demonstration of the isomorphism between the two types of events is successful, but in the author`s opinion fails to establish a monistic, scientific theory. The author traces Stapp`s failure to his adamant rejection of arbitrariness, or `randomness`. This makes it impossible for him (or for Bohr and Pauli before him) to understand the power of Darwin`s explanation of biology, let along the triumphs of modern `neo-Darwinism`. The author notes that the point at issue is a modern version of the unresolved opposition between Leucippus and Democritus on one side and Epicurus on the other. Stapp`s views are contrasted with recent discussions of consciousness by two eminent biologists: Crick and Edelman. They locate the problem firmly in the context of natural selection on the surface of the earth. Their approaches provide a sound basis for further scientific work. The author briefly examines the connection between this scientific (rather than ontological) framework and the new fundamental theory based on bit-strings and the combinatorial hierarchy.

  1. Emergent Chiral Spin Liquid: Fractional Quantum Hall Effect in a Kagome Heisenberg Model

    PubMed Central

    Gong, Shou-Shu; Zhu, Wei; Sheng, D. N.

    2014-01-01

    The fractional quantum Hall effect (FQHE) realized in two-dimensional electron systems under a magnetic field is one of the most remarkable discoveries in condensed matter physics. Interestingly, it has been proposed that FQHE can also emerge in time-reversal invariant spin systems, known as the chiral spin liquid (CSL) characterized by the topological order and the emerging of the fractionalized quasiparticles. A CSL can naturally lead to the exotic superconductivity originating from the condense of anyonic quasiparticles. Although CSL was highly sought after for more than twenty years, it had never been found in a spin isotropic Heisenberg model or related materials. By developing a density-matrix renormalization group based method for adiabatically inserting flux, we discover a FQHE in a isotropic kagome Heisenberg model. We identify this FQHE state as the long-sought CSL with a uniform chiral order spontaneously breaking time reversal symmetry, which is uniquely characterized by the half-integer quantized topological Chern number protected by a robust excitation gap. The CSL is found to be at the neighbor of the previously identified Z2 spin liquid, which may lead to an exotic quantum phase transition between two gapped topological spin liquids. PMID:25204626

  2. Kinetic model of impurity poisoning during growth of calcite

    SciTech Connect

    DeYoreo, J; Wasylenki, L; Dove, P; Wilson, D; Han, N

    2004-05-18

    The central role of the organic component in biologically controlled mineralization is widely recognized. These proteins are characterized by a high proportion of acidic amino acid residues, especially aspartate, Asp. At the same time, biomineralization takes place in the presence of a number of naturally-occurring, inorganic impurities, particularly Mg and Sr. In an attempt to decipher the controls on calcite growth imposed by both classes of modifiers, we have used in situ AFM to investigate the dependence of growth morphology and step kinetics on calcite in the presence of Sr{sup 2+}, as well as a wide suite of Aspartic acid-bearing polypeptides. In each case, we observe a distinct and step-specific modification. Most importantly, we find that the step speed exhibits a characteristic dependence on impurity concentration not predicted by existing crystal growth models. While all of the impurities clearly induce appearance of a 'dead zone,' neither the width of that dead zone nor the dependence of step speed on activity or impurity content can be explained by invoking the Gibbs-Thomson effect, which is the basis for the Cabrera-Vermilyea model of impurity poisoning. Common kink-blocking models also fail to explain the observed dependencies. Here we propose a kinetic model of inhibition based on a 'cooperative' effect of impurity adsorption at adjacent kink sites. The model is in qualitative agreement with the experimental results in that it predicts a non-linear dependence of dead zone width on impurity concentration, as well as a sharp drop in step speed above a certain impurity content. However, a detailed model of impurity adsorption kinetics that give quantitative agreement with the data has yet to be developed.

  3. Modeling impurities and tilted plates in the ITER divertor

    SciTech Connect

    Rensink, M.E.; Rognlien, T.D.

    1996-07-29

    The UEDGE 2-D edge transport code is used to model the effect of impurities and tilted divertor plates for the ITER SOL/divertor region. The impurities are modeled as individual charge states using either the FMOMBAL 21-moment description or parallel force balance. Both helium and neon impurities are used together with a majority hydrogenic species. A fluid description of the neutrals is used that includes parallel inertia and neutral-neutral collisions. Effects of geometry are analyzed by using the nonorthogonal mesh capability of UEDGE to obtain solutions with the divertor plate tilted at various angles.

  4. Spontaneous plaquette dimerization in the J_1-J2 Heisenberg model

    NASA Astrophysics Data System (ADS)

    Capriotti, Luca; Sorella, Sandro

    2000-03-01

    The nature of the non magnetic phases of a quantum antiferromagnet is a topic of great interest and has been a subject of intense theoretical investigation since Anderson's suggestion [1] about the possible connections with the mechanism of high-Tc superconductivity. Within the Heisenberg model the simplest way in which the antiferromagnetism can be destabilized is by introducing a next-nearest-neighbor frustrating interaction leading to the so called J_1-J2 Hamiltonian. We have investigated the zero temperature properties the spin-half J_1-J2 Heisenberg antiferromagnet on the square lattice using exact diagonalization and the recently developed Green Function Monte Carlo with Stochastic Reconfiguration technique [2]. The spin gap and the susceptibilities for the most important crystal symmetry breaking operators have been computed. A genuine and somehow unexpected ``plaquette RVB'', with spontaneously broken translation symmetry and no broken rotation symmetry, comes out from our numerical simulations as the most plausible ground state for J_2/J1 ~= 0.5 [3]. ^1 P. W. Anderson, Science 235, 1196 (1987). ^2 S. Sorella, Phys. Rev. Lett. 80, 4558 (1998); S. Sorella and L. Capriotti, Phys. Rev. B (in press). ^3 L. Capriotti and S. Sorella, cond-mat/9911161

  5. Nonequilibrium behaviors of the three-dimensional Heisenberg model in the Swendsen-Wang algorithm.

    PubMed

    Nonomura, Yoshihiko; Tomita, Yusuke

    2016-01-01

    Recently, it was shown [Y. Nonomura, J. Phys. Soc. Jpn. 83, 113001 (2014)JUPSAU0031-901510.7566/JPSJ.83.113001] that the nonequilibrium critical relaxation of the two-dimensional (2D) Ising model from a perfectly ordered state in the Wolff algorithm is described by stretched-exponential decay, and a universal scaling scheme was found to connect nonequilibrium and equilibrium behaviors. In the present study we extend these findings to vector spin models, and the 3D Heisenberg model could be a typical example. To evaluate the critical temperature and critical exponents precisely using the above scaling scheme, we calculate nonequilibrium ordering from the perfectly disordered state in the Swendsen-Wang algorithm, and we find that the critical ordering process is described by stretched-exponential growth with a comparable exponent to that of the 3D XY model. The critical exponents evaluated in the present study are consistent with those in previous studies. PMID:26871018

  6. Nonequilibrium behaviors of the three-dimensional Heisenberg model in the Swendsen-Wang algorithm

    NASA Astrophysics Data System (ADS)

    Nonomura, Yoshihiko; Tomita, Yusuke

    2016-01-01

    Recently, it was shown [Y. Nonomura, J. Phys. Soc. Jpn. 83, 113001 (2014), 10.7566/JPSJ.83.113001] that the nonequilibrium critical relaxation of the two-dimensional (2D) Ising model from a perfectly ordered state in the Wolff algorithm is described by stretched-exponential decay, and a universal scaling scheme was found to connect nonequilibrium and equilibrium behaviors. In the present study we extend these findings to vector spin models, and the 3D Heisenberg model could be a typical example. To evaluate the critical temperature and critical exponents precisely using the above scaling scheme, we calculate nonequilibrium ordering from the perfectly disordered state in the Swendsen-Wang algorithm, and we find that the critical ordering process is described by stretched-exponential growth with a comparable exponent to that of the 3D X Y model. The critical exponents evaluated in the present study are consistent with those in previous studies.

  7. Multicanonical Monte Carlo simulations of anisotropic SU(3) and SU(4) Heisenberg models

    NASA Astrophysics Data System (ADS)

    Harada, Kenji; Kawashima, Naoki; Troyer, Matthias

    2009-03-01

    We present the results of multicanonical Monte Carlo simulations on two-dimensional anisotropic SU(3) and SU(4) Heisenberg models. In our previous study [K. Harada, et al., J. Phys. Soc. Jpn. 76, 013703 (2007)], we found evidence for a direct quantum phase transition from the valence-bond-solid(VBS) phase to the SU(3) symmetry breaking phase on the SU(3) model and we proposed the possibility of deconfined critical phenomena (DCP) [T. Senthil, et al., Science 303, 1490 (2004); T. Grover and T. Senthil, Phys. Rev. Lett. 98, 247202 (2007)]. Here we will present new results with an improved algorithm, using a multicanonical Monte Carlo algorithm. Using a flow method-like technique [A.B. Kuklov, et al., Annals of Physics 321, 1602 (2006)], we discuss the possibility of DCP in both models.

  8. Plaquette order in the SU(6) Heisenberg model on the honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Nataf, Pierre; Lajkó, Miklós; Corboz, Philippe; Läuchli, Andreas M.; Penc, Karlo; Mila, Frédéric

    2016-05-01

    We revisit the SU(6) Heisenberg model on the honeycomb lattice, which has been predicted to be a chiral spin liquid by mean-field theory [G. Szirmai et al., Phys. Rev. A 84, 011611(R) (2011), 10.1103/PhysRevA.84.011611]. Using exact diagonalizations of finite clusters, infinite projected entangled pair state simulations, and variational Monte Carlo simulations based on Gutzwiller projected wave functions, we provide strong evidence that the model with one particle per site and nearest-neighbor exchange actually develops plaquette order. This is further confirmed by the investigation of the model with a ring-exchange term, which shows that there is a transition between the plaquette state and the chiral state at a finite value of the ring-exchange term.

  9. Renormalization of the global quantum correlation and monogamy relation in the anisotropic Heisenberg XXZ model

    NASA Astrophysics Data System (ADS)

    Qin, Meng; Ren, Zhong-Zhou; Zhang, Xin

    2016-01-01

    In this study, the global quantum correlation, monogamy relation and quantum phase transition of the Heisenberg XXZ model are investigated by the method of quantum renormalization group. We obtain, analytically, the expressions of the global negativity, the global measurement-induced disturbance and the monogamy relation for the system. The result shows that for a three-site block state, the partial transpose of an asymmetric block can get stronger entanglement than that of the symmetric one. The residual entanglement and the difference of the monogamy relation of measurement-induced disturbance show a scaling behavior with the size of the system becoming large. Moreover, the monogamy nature of entanglement measured by negativity exists in the model, while the nonclassical correlation quantified by measurement-induced disturbance violates the monogamy relation and demonstrates polygamy.

  10. Ground-state energies of the nonlinear sigma model and the Heisenberg spin chains

    NASA Technical Reports Server (NTRS)

    Zhang, Shoucheng; Schulz, H. J.; Ziman, Timothy

    1989-01-01

    A theorem on the O(3) nonlinear sigma model with the topological theta term is proved, which states that the ground-state energy at theta = pi is always higher than the ground-state energy at theta = 0, for the same value of the coupling constant g. Provided that the nonlinear sigma model gives the correct description for the Heisenberg spin chains in the large-s limit, this theorem makes a definite prediction relating the ground-state energies of the half-integer and the integer spin chains. The ground-state energies obtained from the exact Bethe ansatz solution for the spin-1/2 chain and the numerical diagonalization on the spin-1, spin-3/2, and spin-2 chains support this prediction.

  11. Magnetic order in the two-dimensional compass-Heisenberg model

    NASA Astrophysics Data System (ADS)

    Vladimirov, Artem A.; Ihle, Dieter; Plakida, Nikolay M.

    2015-06-01

    A Green-function theory for the dynamic spin susceptibility in the square-lattice spin-1/2 antiferromagnetic compass-Heisenberg model employing a generalized mean-field approximation is presented. The theory describes magnetic long-range order (LRO) and short-range order (SRO) at arbitrary temperatures. The magnetization, Néel temperature TN, specific heat, and uniform static spin susceptibility χ are calculated self-consistently. As the main result, we obtain LRO at finite temperatures in two dimensions, where the dependence of TN on the compass-model interaction is studied. We find that TN is close to the experimental value for Ba2IrO4. The effects of SRO are discussed in relation to the temperature dependence of χ.

  12. Matrix Product State, Quantum Entanglement, and Criticality in the One-Dimensional Dimerized Antiferromagnetic Heisenberg Model

    NASA Astrophysics Data System (ADS)

    Liu, Guang-Hua; Tian, Guang-Shan

    2012-08-01

    The matrix product state (MPS) is utilized to investigate the ground state properties and quantum phase transitions (QPTs) of the dimerized antiferromagnetic Heisenberg (DAH) model. The ground state MPS wavefunctions determined by the infinite time-evolving block decimation (iTEBD) algorithm are shown to be very efficient descriptions of DAH model. In the thermodynamic limit, the quantum entanglement, the bond energy, and the nearest-neighbor correlations are calculated. It is revealed that the singular behavior of the bipartite entanglement can detect the QPTs directly. The critical point Jc2 = 1.0 is determined evidently, and the quantum phase transition is argued to belong to the second-order category. At the critical point, logarithmic divergent character of the block entanglement is observed, and the system can be described by a free bosonic field theory.

  13. Spin conductivity of the two-dimensional anisotropic frustrated Heisenberg model in the honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Lima, L. S.

    2016-07-01

    We use the SU(3) Schwinger's boson theory to study the spin transport properties of the two-dimensional anisotropic frustrated Heisenberg model in a honeycomb lattice at T=0. We have investigated the behavior of the spin conductivity for this model which presents a single-ion anisotropy and J1 and J2 exchange interactions. We study the spin transport in the Bose-Einstein condensation regime where we have that the tz bosons are condensed and the following condition is valid: = < tz† > = t. Our results show a metallic spin transport for ω > 0 and a superconductor spin transport in the limit of DC conductivity, ω → 0, where σ(ω) tends to infinity in this limit of ω.

  14. Enhancing the Trace Norm and Bures Norm Measurement-Induced Nonlocality in the Heisenberg XYZ Model

    NASA Astrophysics Data System (ADS)

    Xie, Yu-Xia; Liu, Jing; Ma, Hong

    2016-07-01

    Nonlocality is one unique characteristic of quantum mechanics and an essential resource for quantum communication and computation. We investigate two measures of the well-defined geometric measurement-induced nonlocality (MIN) in the Heisenberg XYZ model, and found that considerable enhancement of the MINs can be achieved by tuning strength of the anisotropic parameter, the J z coupling, and the Dzyaloshinsky-Moriya (DM) interaction of the model. Particularly, the maxima of the two MINs can be obtained when the strength of the J z coupling or the DM interaction approaches infinity. We have also demonstrated the singular behaviors of the two MINs such as the nonunique states ordering and the sudden change behaviors.

  15. A quantum fidelity study of the anisotropic next-nearest-neighbour triangular lattice Heisenberg model

    NASA Astrophysics Data System (ADS)

    Thesberg, Mischa; Sørensen, Erik S.

    2014-10-01

    Ground- and excited-state quantum fidelities in combination with generalized quantum fidelity susceptibilites, obtained from exact diagonalizations, are used to explore the phase diagram of the anisotropic next-nearest-neighbour triangular Heisenberg model. Specifically, the J‧ - J2 plane of this model, which connects the J1 - J2 chain and the anisotropic triangular lattice Heisenberg model, is explored using these quantities. Through the use of a quantum fidelity associated with the first excited-state, in addition to the conventional ground-state fidelity, the BKT-type transition and Majumdar-Ghosh point of the J1 - J2 chain (J‧ = 0) are found to extend into the J‧ - J2 plane and connect with points on the J2 = 0 axis thereby forming bounded regions in the phase diagram. These bounded regions are then explored through the generalized quantum fidelity susceptibilities χρ, χ120\\circ , χD and χCAF which are associated with the spin stiffness, 120° spiral order parameter, dimer order parameter and collinear antiferromagnetic order parameter respectively. These quantities are believed to be extremely sensitive to the underlying phase and are thus well suited for finite-size studies. Analysis of the fidelity susceptibilities suggests that the J‧, J2 ≪ J phase of the anisotropic triangular model is either a collinear antiferromagnet or possibly a gapless disordered phase that is directly connected to the Luttinger phase of the J1 - J2 chain. Furthermore, the outer region is dominated by incommensurate spiral physics as well as dimer order.

  16. Fermionology in the Kondo-Heisenberg model: the case of CeCoIn5

    NASA Astrophysics Data System (ADS)

    Zhong, Yin; Zhang, Lan; Lu, Han-Tao; Luo, Hong-Gang

    2015-09-01

    The Fermi surface of heavy electron systems plays a fundamental role in understanding their variety of puzzling phenomena, for example, quantum criticality, strange metal behavior, unconventional superconductivity and even enigmatic phases with yet unknown order parameters. The spectroscopy measurement of the typical heavy fermion superconductor CeCoIn5 has demonstrated multi-Fermi surface structure, which has not been studied in detail theoretically in a model system like the Kondo-Heisenberg model. In this work, we take a step toward such a theoretical model by revisiting the Kondo-Heisenberg model. It is found that the usual self-consistent calculation cannot reproduce the fermionology of the experimental observation of the system due to the sign binding between the hopping of the conduction electrons and the mean-field valence-bond order. To overcome such inconsistency, the mean-field valence-bond order is considered as a free/fitting parameter to correlate them with real-life experiments as performed in recent experiments [M.P. Allan, F. Massee, D.K. Morr, J. Van Dyke, A.W. Rost, A.P. Mackenzie, C. Petrovic, J.C. Davis, Nat. Phys. 9, 468 (2013); J. Van Dyke, F. Massee, M.P. Allan, J.C. Davis, C. Petrovic, D.K. Morr, Proc. Natl. Acad. Sci. 111, 11663 (2014)], which also explicitly reflects the intrinsic dispersion of local electrons observed in experimental measurements. Given the fermionology, the calculated effective mass enhancement, entropy, superfluid density and Knight shift are all in qualitative agreement with the experimental results of CeCoIn5, which confirms our assumption. Our result supports a d_{x^2 - y^2 }-wave pairing structure in the heavy fermion material CeCoIn5.

  17. Exact Solution for Perk-Schultz Model with Boundary Impurities

    NASA Astrophysics Data System (ADS)

    Li, Guang-Liang; Yue, Rui-Hong; Shi, Kang-Jie; Hou, Bo-Yu

    2001-03-01

    The Perk-Schultz model with SUq(m|n) spin boundary impurities is constructed by dressing the c-number reflecting K-matrix with the local L-matrix which acts non-trivially on an impurity Hilbert space. The eigenvalue of the transfer matrix and the corresponding Bethe ansatz equations with different c-number reflecting K-matrices are obtained by using the nested Bethe ansatz method (m&\

  18. Heisenberg's observability principle

    NASA Astrophysics Data System (ADS)

    Wolff, Johanna

    2014-02-01

    Werner Heisenberg's 1925 paper 'Quantum-theoretical re-interpretation of kinematic and mechanical relations' marks the beginning of quantum mechanics. Heisenberg famously claims that the paper is based on the idea that the new quantum mechanics should be 'founded exclusively upon relationships between quantities which in principle are observable'. My paper is an attempt to understand this observability principle, and to see whether its employment is philosophically defensible. Against interpretations of 'observability' along empiricist or positivist lines I argue that such readings are philosophically unsatisfying. Moreover, a careful comparison of Heisenberg's reinterpretation of classical kinematics with Einstein's argument against absolute simultaneity reveals that the positivist reading does not fit with Heisenberg's strategy in the paper. Instead the appeal to observability should be understood as a specific criticism of the causal inefficacy of orbital electron motion in Bohr's atomic model. I conclude that the tacit philosophical principle behind Heisenberg's argument is not a positivistic connection between observability and meaning, but the idea that a theory should not contain causally idle wheels.

  19. Phase transition of anisotropic frustrated Heisenberg model on the square lattice.

    PubMed

    Hu, Ai-Yuan; Wang, Huai-Yu

    2016-01-01

    We have investigated the J_{1}-J_{2} Heisenberg model with exchange anisotropy on a square lattice and focused on possible AF1-AF2 phase transition below the Néel point and its dependence on the exchange anisotropy, where AF1 and AF2 represent Néel state and collinear state, respectively. We use the double-time Green's-function method and adopt the random-phase approximation. The less the exchange anisotropy, the stronger the quantum fluctuation of the system will be. Both the Néel state and collinear state can exist and have the same Néel temperature for arbitrary anisotropy and spin quantum number S when J_{2}/J_{1}=0.5. Under such parameters, the calculated free energies show that there may occur a first-order phase transition between the Néel state and collinear state for an arbitrary S when anisotropy is not strong. PMID:26871025

  20. Sudden death of distillability in a two-qutrit anisotropic Heisenberg spin model

    NASA Astrophysics Data System (ADS)

    Guo, You-neng; Fang, Mao-fa; Zou, Hong-mei; Zhang, Shi-yang; Liu, Xiang

    2015-06-01

    Sudden death of distillability for a two-qutrit anisotropic Heisenberg XX chain with Dzyaloshinskii-Moriya (DM) interaction in an inhomogeneous magnetic field is studied in detail. By using the negativity and realignment criterion, we show that certain initial prepared free entangled states may become bound entangled or separable states in a finite time. Moreover, the influences of the isotropic bilinear interaction parameter, the external magnetic field strength, the DM interaction parameter, as well as the intrinsic decoherence parameter on the possibility of distillability sudden death (DSD) have been studied. The results show, controlling the isotropic bilinear interaction parameter, the external magnetic field strength, the DM interaction parameter, as well as the intrinsic decoherence parameter, can accelerate the possibility of DSD in the present model.

  1. Phase diagram of the classical Heisenberg model in a trimodal random field distribution

    NASA Astrophysics Data System (ADS)

    Santos-Filho, A.; Albuquerque, D. F. de; Santos-Filho, J. B.; Batista, T. S. Araujo

    2016-11-01

    The classical spin 1 / 2 Heisenberg model on a simple cubic lattice, with fluctuating bond interactions between nearest neighbors and in the presence of a random magnetic field, is investigated by effective field theory based on two-spin cluster. The random field is drawn from the asymmetric and anisotropic trimodal probability distribution. The fluctuating bond is extracted from the symmetric and anisotropic bimodal probability. We estimate the transition temperatures, and the phase diagram in the Tc- h, Tc- p and Tc - α planes. We observe that the temperature of the tricritical point decreases with the increase of disorder in exchange interactions until the system ceases to display tricritical behavior. The disorder of the interactions and reentrant phenomena depends on the trimodal distribution of the random field.

  2. EuCo2P2 : A model molecular-field helical Heisenberg antiferromagnet

    NASA Astrophysics Data System (ADS)

    Sangeetha, N. S.; Cuervo-Reyes, Eduardo; Pandey, Abhishek; Johnston, D. C.

    2016-07-01

    The metallic compound EuCo2P2 with the body-centered tetragonal ThCr2Si2 structure containing Eu spins-7/2 was previously shown from single-crystal neutron diffraction measurements to exhibit a helical antiferromagnetic (AFM) structure below TN=66.5 K with the helix axis along the c axis and with the ordered moments aligned within the a b plane. Here we report crystallography, electrical resistivity, heat capacity, magnetization, and magnetic susceptibility measurements on single crystals of this compound. We demonstrate that EuCo2P2 is a model molecular-field helical Heisenberg antiferromagnet from comparisons of the anisotropic magnetic susceptibility χ , high-field magnetization, and magnetic heat capacity of EuCo2P2 single crystals at temperature T ≤TN with the predictions of our recent formulation of molecular-field theory. Values of the Heisenberg exchange interactions between the Eu spins are derived from the data. The low-T magnetic heat capacity ˜T3 arising from spin-wave excitations with no anisotropy gap is calculated and found to be comparable to the lattice heat capacity. The density of states at the Fermi energy of EuCo2P2 and the related compound BaCo2P2 are found from the heat capacity data to be large, 10 and 16 states/eV per formula unit for EuCo2P2 and BaCo2P2 , respectively. These values are enhanced by a factor of ˜2.5 above those found from DFT electronic structure calculations for the two compounds. The calculations also find ferromagnetic Eu-Eu exchange interactions within the a b plane and AFM interactions between Eu spins in nearest- and next-nearest planes, in agreement with the MFT analysis of χa b(T ≤TN) .

  3. EuCo2P2: A Model Molecular-Field Helical Heisenberg Antiferromagnet

    DOE PAGESBeta

    Sangeetha, N. S.; Cuervo-Reyes, Eduardo; Pandey, Abhishek; Johnston, D. C.

    2016-07-19

    The metallic compound EuCo2P2 with the body-centered tetragonal ThCr2Si2 structure containing Eu spins-7/2 was previously shown from single-crystal neutron diffraction measurements to exhibit a helical antiferromagnetic (AFM) structure below TN=66.5 K with the helix axis along the c axis and with the ordered moments aligned within the ab plane. Here we report crystallography, electrical resistivity, heat capacity, magnetization, and magnetic susceptibility measurements on single crystals of this compound. We demonstrate that EuCo2P2 is a model molecular-field helical Heisenberg antiferromagnet from comparisons of the anisotropic magnetic susceptibility χ, high-field magnetization, and magnetic heat capacity of EuCo2P2 single crystals at temperature T≤TNmore » with the predictions of our recent formulation of molecular-field theory. Values of the Heisenberg exchange interactions between the Eu spins are derived from the data. The low-T magnetic heat capacity ~T3 arising from spin-wave excitations with no anisotropy gap is calculated and found to be comparable to the lattice heat capacity. The density of states at the Fermi energy of EuCo2P2 and the related compound BaCo2P2 are found from the heat capacity data to be large, 10 and 16 states/eV per formula unit for EuCo2P2 and BaCo2P2, respectively. These values are enhanced by a factor of ~2.5 above those found from DFT electronic structure calculations for the two compounds. Additionally, the calculations also find ferromagnetic Eu–Eu exchange interactions within the ab plane and AFM interactions between Eu spins in nearest- and next-nearest planes, in agreement with the MFT analysis of χab(T≤TN).« less

  4. EuCo2P2: A model molecular-field helical Heisenberg antiferromagnet

    DOE PAGESBeta

    Sangeetha, N. S.; Cuervo-Reyes, Eduardo; Pandey, Abhishek; Johnston, D. C.

    2016-07-19

    Here, the metallic compound EuCo2P2 with the body-centered tetragonal ThCr2Si2 structure containing Eu spins-7/2 was previously shown from single-crystal neutron diffraction measurements to exhibit a helical antiferromagnetic (AFM) structure below TN=66.5 K with the helix axis along the c axis and with the ordered moments aligned within the ab plane. Here we report crystallography, electrical resistivity, heat capacity, magnetization, and magnetic susceptibility measurements on single crystals of this compound. We demonstrate that EuCo2P2 is a model molecular-field helical Heisenberg antiferromagnet from comparisons of the anisotropic magnetic susceptibility χ, high-field magnetization, and magnetic heat capacity of EuCo2P2 single crystals at temperaturemore » T ≤ TN with the predictions of our recent formulation of molecular-field theory. Values of the Heisenberg exchange interactions between the Eu spins are derived from the data. The low-T magnetic heat capacity ~T3 arising from spin-wave excitations with no anisotropy gap is calculated and found to be comparable to the lattice heat capacity. The density of states at the Fermi energy of EuCo2P2 and the related compound BaCo2P2 are found from the heat capacity data to be large, 10 and 16 states/eV per formula unit for EuCo2P2 and BaCo2P2, respectively. These values are enhanced by a factor of ~2.5 above those found from DFT electronic structure calculations for the two compounds. The calculations also find ferromagnetic Eu–Eu exchange interactions within the ab plane and AFM interactions between Eu spins in nearest- and next-nearest planes, in agreement with the MFT analysis of χab(T ≤ TN).« less

  5. Our Electron Model vindicates Schr"odinger's Incomplete Results and Require Restatement of Heisenberg's Uncertainty Principle

    NASA Astrophysics Data System (ADS)

    McLeod, David; McLeod, Roger

    2008-04-01

    The electron model used in our other joint paper here requires revision of some foundational physics. That electron model followed from comparing the experimentally proved results of human vision models using spatial Fourier transformations, SFTs, of pincushion and Hermann grids. Visual systems detect ``negative'' electric field values for darker so-called ``illusory'' diagonals that are physical consequences of the lens SFT of the Hermann grid, distinguishing this from light ``illusory'' diagonals. This indicates that oppositely directed vectors of the separate illusions are discretely observable, constituting another foundational fault in quantum mechanics, QM. The SFT of human vision is merely the scaled SFT of QM. Reciprocal space results of wavelength and momentum mimic reciprocal relationships between space variable x and spatial frequency variable p, by the experiment mentioned. Nobel laureate physicist von B'ek'esey, physiology of hearing, 1961, performed pressure input Rect x inputs that the brain always reports as truncated Sinc p, showing again that the brain is an adjunct built by sight, preserves sign sense of EMF vectors, and is hard wired as an inverse SFT. These require vindication of Schr"odinger's actual, but incomplete, wave model of the electron as having physical extent over the wave, and question Heisenberg's uncertainty proposal.

  6. Quantum entanglement and criticality of the antiferromagnetic Heisenberg model in an external field.

    PubMed

    Liu, Guang-Hua; Li, Ruo-Yan; Tian, Guang-Shan

    2012-06-27

    By Lanczos exact diagonalization and the infinite time-evolving block decimation (iTEBD) technique, the two-site entanglement as well as the bipartite entanglement, the ground state energy, the nearest-neighbor correlations, and the magnetization in the antiferromagnetic Heisenberg (AFH) model under an external field are investigated. With increasing external field, the small size system shows some distinct upward magnetization stairsteps, accompanied synchronously with some downward two-site entanglement stairsteps. In the thermodynamic limit, the two-site entanglement, as well as the bipartite entanglement, the ground state energy, the nearest-neighbor correlations, and the magnetization are calculated, and the critical magnetic field h(c) = 2.0 is determined exactly. Our numerical results show that the quantum entanglement is sensitive to the subtle changing of the ground state, and can be used to describe the magnetization and quantum phase transition. Based on the discontinuous behavior of the first-order derivative of the entanglement entropy and fidelity per site, we think that the quantum phase transition in this model should belong to the second-order category. Furthermore, in the magnon existence region (h < 2.0), a logarithmically divergent behavior of block entanglement which can be described by a free bosonic field theory is observed, and the central charge c is determined to be 1.

  7. Block Lanczos density-matrix renormalization group method for general Anderson impurity models: Application to magnetic impurity problems in graphene

    NASA Astrophysics Data System (ADS)

    Shirakawa, Tomonori; Yunoki, Seiji

    2014-11-01

    We introduce a block Lanczos (BL) recursive technique to construct quasi-one-dimensional models, suitable for density-matrix renormalization group (DMRG) calculations, from single- as well as multiple-impurity Anderson models in any spatial dimensions. This new scheme, named BL-DMRG method, allows us to calculate not only local but also spatially dependent static and dynamical quantities of the ground state for general Anderson impurity models without losing elaborate geometrical information of the lattice. We show that the BL-DMRG method can be easily extended to treat a multiorbital Anderson impurity model where not only inter- and intraorbital Coulomb interactions but also Hund's coupling and pair hopping interactions are included. We also show that the symmetry adapted BL bases can be utilized, when it is appropriate, to reduce the computational cost. As a demonstration, we apply the BL-DMRG method to three different models for graphene with a structural defect and with a single hydrogen or fluorine absorbed, where a single Anderson impurity is coupled to conduction electrons in the honeycomb lattice. These models include (i) a single adatom on the honeycomb lattice, (ii) a substitutional impurity in the honeycomb lattice, and (iii) an effective model for a single carbon vacancy in graphene. Our analysis of the local dynamical magnetic susceptibility and the local density of states at the impurity site reveals that, for the particle-hole symmetric case at half-filling of electron density, the ground state of model (i) behaves as an isolated magnetic impurity with no Kondo screening, while the ground state of the other two models forms a spin-singlet state where the impurity moment is screened by the conduction electrons. We also calculate the real-space dependence of the spin-spin correlation functions between the impurity site and the conduction sites for these three models. Our results clearly show that, reflecting the presence or absence of unscreened

  8. Semiclassical theory of the magnetization process of the triangular lattice Heisenberg model

    NASA Astrophysics Data System (ADS)

    Coletta, Tommaso; Tóth, Tamás A.; Penc, Karlo; Mila, Frédéric

    2016-08-01

    Motivated by the numerous examples of 1/3 magnetization plateaux in the triangular-lattice Heisenberg antiferromagnet with spins ranging from 1/2 to 5/2, we revisit the semiclassical calculation of the magnetization curve of that model, with the aim of coming up with a simple method that allows one to calculate the full magnetization curve and not just the critical fields of the 1/3 plateau. We show that it is actually possible to calculate the magnetization curve including the first quantum corrections and the appearance of the 1/3 plateau entirely within linear spin-wave theory, with predictions for the critical fields that agree to order 1 /S with those derived a long time ago on the basis of arguments that required going beyond linear spin-wave theory. This calculation relies on the central observation that there is a kink in the semiclassical energy at the field where the classical ground state is the collinear up-up-down structure and that this kink gives rise to a locally linear behavior of the energy with the field when all semiclassical ground states are compared to each other for all fields. The magnetization curves calculated in this way for spin 1/2, 1, and 5/2 are shown to be in good agreement with available experimental data.

  9. Quantum correlation dynamics in a two-qubit Heisenberg XYZ model with decoherence

    NASA Astrophysics Data System (ADS)

    Yang, Guo-Hui; Zhang, Bing-Bing; Li, Lei

    2015-06-01

    Quantum correlation dynamics in an anisotropic Heisenberg XYZ model under decoherence is investigated by making use of concurrence C and quantum discord (QD). Firstly, we show that both the concurrence and QD exhibit oscillation with time whereas a remarkable difference between them is presented: there is an “entanglement intermittently sudden death” phenomenon in the concurrence but not in the QD, which is valid for all the initial states of this system. Also, the interval time of entanglement sudden death is found to be strongly dependent on the initial states, the inhomogeneous magnetic field b and the anisotropic parameter Δ. Then, it implies that the steady concurrence and QD can be obtained in the long-time limit, which means that the environmental decoherence cannot entirely destroy the quantum correlation, the variation of the uniform magnetic field B and the anisotropic parameter can change the magnitude of the steady concurrence and QD evidently whereas the parameter b cannot. In addition, based on the analysis of the steady concurrence and QD with t →∞, we give the reason why the magnitude of the steady concurrence and QD is so complicated with the change of the parameters B and Δ, whereas the parameter b is independent of the steady concurrence and QD. Project supported by the Natural Science Foundation for Young Scientists of Shanxi Province, China (Grant No. 2012021003-3) and the Special Funds of the National Natural Science Foundation of China (Grant No. 11247247).

  10. Thermal entanglement of a spin-1/2 Ising-Heisenberg model on a symmetrical diamond chain.

    PubMed

    Ananikian, N S; Ananikyan, L N; Chakhmakhchyan, L A; Rojas, Onofre

    2012-06-27

    The entanglement quantum properties of a spin-1/2 Ising-Heisenberg model on a symmetrical diamond chain were analyzed. Due to the separable nature of the Ising-type exchange interactions between neighboring Heisenberg dimers, calculation of the entanglement can be performed exactly for each individual dimer. Pairwise thermal entanglement was studied in terms of the isotropic Ising-Heisenberg model and analytical expressions for the concurrence (as a measure of bipartite entanglement) were obtained. The effects of external magnetic field H and next-nearest neighbor interaction J(m) between nodal Ising sites were considered. The ground state structure and entanglement properties of the system were studied in a wide range of coupling constant values. Various regimes with different values of ground state entanglement were revealed, depending on the relation between competing interaction strengths. Finally, some novel effects, such as the two-peak behavior of concurrence versus temperature and coexistence of phases with different values of magnetic entanglement, were observed.

  11. Bosonic description of a Tomonaga-Luttinger model with impurities

    NASA Astrophysics Data System (ADS)

    Fernández, Victoria; Li, Kang; Naón, Carlos

    1999-04-01

    We extend a recently proposed non-local version of Coleman's equivalence between the Thirring and sine-Gordon models to the case in which the original fermion fields interact with fixed impurities. We explain how our results can be used in the context of one-dimensional strongly correlated systems (the so called Tomonaga-Luttinger model) to study the dependence of the charge-density oscillations on the range of the fermionic interactions.

  12. Exact Realization of a Quantum-Dimer Model in Heisenberg Antiferromagnets on a Diamond-Like Decorated Lattice

    NASA Astrophysics Data System (ADS)

    Hirose, Yuhei; Oguchi, Akihide; Fukumoto, Yoshiyuki

    2016-09-01

    We study Heisenberg antiferromagnets on a diamond-like decorated square lattice perturbed by further neighbor couplings. The second-order effective Hamiltonian is calculated and the resultant Hamiltonian is found to be a square-lattice quantum-dimer model with a finite hopping amplitude and no repulsion, which suggests the stabilization of the plaquette phase. Our recipe for constructing quantum-dimer models can be adopted for other lattices and provides a route for the experimental realization of quantum-dimer models.

  13. Existence of Néel Order in the S=1 Bilinear-Biquadratic Heisenberg Model via Random Loops

    NASA Astrophysics Data System (ADS)

    Lees, Benjamin

    2016-10-01

    We consider the general spin-1 SU(2) invariant Heisenberg model with a two-body interaction. A random loop model is introduced and relation to quantum spin systems is proved. Using this relation it is shown that for dimensions 3 and above Néel order occurs for a large range of values of the relative strength of the bilinear (- J 1) and biquadratic (- J 2) interaction terms. The proof uses the method of reflection positivity and infrared bounds. Links between spin correlations and loop correlations are proved.

  14. Entanglement and teleportation through a two-qubit Heisenberg XXZ model with the Dzyaloshinskii-Moriya interaction

    NASA Astrophysics Data System (ADS)

    Guo, J. L.; Song, H. S.

    2010-01-01

    We study the thermal entanglement in the two-qubit Heisenberg XXZ model with the Dzyaloshinskii-Moriya (DM) interaction, and teleport an unknown state using the model in thermal equilibrium state as a quantum channel. The effects of DM interaction, including Dx and Dz interaction, the anisotropy and temperature on the entanglement and fully entangled fraction are considered. What deserves mentioning here is that for the antiferromagnetic case, the Dx interaction can be more helpful for increasing the entanglement and critical temperature than Dz, but this cannot for teleportation.

  15. Gyrokinetic modelling of stationary electron and impurity profiles in tokamaks

    SciTech Connect

    Skyman, A. Tegnered, D. Nordman, H. Strand, P.

    2014-09-15

    Particle transport due to Ion Temperature Gradient (ITG)/Trapped Electron Mode (TEM) turbulence is investigated using the gyrokinetic code GENE. Both a reduced quasilinear treatment and nonlinear simulations are performed for typical tokamak parameters corresponding to ITG dominated turbulence. The gyrokinetic results are compared and contrasted with results from a computationally efficient fluid model. A selfconsistent treatment is used, where the stationary local profiles are calculated corresponding to zero particle flux simultaneously for electrons and trace impurities. The scaling of the stationary profiles with magnetic shear, safety factor, electron-to-ion temperature ratio, collisionality, toroidal sheared rotation, plasma β, triangularity, and elongation is investigated. In addition, the effect of different main ion mass on the zero flux condition is discussed. The electron density gradient can significantly affect the stationary impurity profile scaling. It is therefore expected that a selfconsistent treatment will yield results more comparable to experimental results for parameter scans where the stationary background density profile is sensitive. This is shown to be the case in scans over magnetic shear, collisionality, elongation, and temperature ratio, for which the simultaneous zero flux electron and impurity profiles are calculated. A slight asymmetry between hydrogen, deuterium, and tritium with respect to profile peaking is obtained, in particular, for scans in collisionality and temperature ratio.

  16. Magnetic correlations beyond the Heisenberg model in an Fe monolayer on Rh(0 0 1)

    NASA Astrophysics Data System (ADS)

    Deák, A.; Palotás, K.; Szunyogh, L.; Szabó, I. A.

    2015-04-01

    Motivated by a recent experimental observation of a complex magnetic structure (Takada et al 2013 J. Magn. Magn. Mater. 329 95) we present a theoretical study of the magnetic structure of an Fe monolayer deposited on Rh(0 0 1). We use a classical spin Hamiltonian with parameters obtained from ab initio calculations and go beyond the usual anisotropic Heisenberg model by including isotropic biquadratic interactions. Zero-temperature Landau-Lifshitz-Gilbert spin dynamics simulations lead to a complex collinear spin configuration that, however, contradicts experimental findings. We thus conclude that higher order multi-spin interactions are likely needed to account for the magnetic ordering of the system.

  17. Variational Monte Carlo study of a chiral spin liquid in the extended Heisenberg model on the kagome lattice

    NASA Astrophysics Data System (ADS)

    Hu, Wen-Jun; Zhu, Wei; Zhang, Yi; Gong, Shoushu; Becca, Federico; Sheng, D. N.

    2015-01-01

    We investigate the extended Heisenberg model on the kagome lattice by using Gutzwiller projected fermionic states and the variational Monte Carlo technique. In particular, when both second- and third-neighbor superexchanges are considered, we find that a gapped spin liquid described by nontrivial magnetic fluxes and long-range chiral-chiral correlations is energetically favored compared to the gapless U(1) Dirac state. Furthermore, the topological Chern number, obtained by integrating the Berry curvature, and the degeneracy of the ground state, by constructing linearly independent states, lead us to identify this flux state as the chiral spin liquid with a C =1 /2 fractionalized Chern number.

  18. Classification of magnons in rotated ferromagnetic Heisenberg model and their competing responses in transverse fields

    NASA Astrophysics Data System (ADS)

    Sun, Fadi; Ye, Jinwu; Liu, Wu-Ming

    2016-07-01

    In this paper, we study the rotated ferromagnetic Heisenberg model (RFHM) in two different transverse fields, hx and hz, which can be intuitively visualized as studying spin-orbit coupling (SOC) effects in two-dimensional (2D) Ising or anisotropic X Y model in a transverse field. At a special SOC class, it was found in our previous work [Phys. Rev. A 92, 043609 (2015), 10.1103/PhysRevA.92.043609] that the RFHM at a zero field owns an exact spin-orbit coupled ground state called the Y -x state. It supports not only the commensurate magnons (called C -C0 and C -Cπ ), but also the incommensurate magnons (called C-IC). These magnons are nonrelativistic, not embedded in the exact ground state, so need to be thermally excited or generated by various external probes. Their dramatic response under a longitudinal hy field was recently worked out by Sun et al. [arXiv:1502.05338]. Here we find they respond very differently under the two transverse fields. Any hx (hz) introduces quantum fluctuations to the ground state and changes the collinear Y -x state to a canted coplanar Y X -x (Y Z -x ) state. The C -C0,C -Cπ , and C-IC magnons become relativistic and sneak into the quantum ground state. We determine the competing boundaries among the C -C0,C -Cπ , and C-IC magnons, especially the detailed dispersions of the C-IC magnons inside the canted phases, which can be mapped out by the transverse spin structure factors. As hx (hz) increases further, the C -C0 magnons always win the competition and emerge as the seeds to drive a transition from the Y X -x (or Y Z -x ) to the ferromagnetic along the X (orZ ) direction called the X -FM (or Z -FM) phase. We show that the transition is in the 3D Ising universality class and it becomes the 3D X Y transition at the two Abelian points. We evaluate these magnons' contributions to magnetization and specific heat at low temperatures which can be measured by various established experimental techniques. The nature of the finite

  19. Yangian symmetry in molecule {l_brace}V6{r_brace} and four-spin Heisenberg model

    SciTech Connect

    Peng Xubiao; Bai Chengming; Ge Molin

    2011-02-15

    The symmetry operator Q = Y{sup 2} is introduced to re-describe the Heisenberg spin triangles in the {l_brace}V6{r_brace} molecule, where Y stands for the Yangian operator which can be viewed as special form of Dzyaloshinsky-Moriya (DM) interaction for spin 1/2 systems. Suppose a parallelogram Heisenberg model that is comprised of four 1/2 -spins commutes with Q, which mean that it possesses Yangian symmetry, we show that the ground state of the Hamiltonian H{sub 4} for the model allows to take the total spin S = 1 by choosing some suitable exchange constants in H{sub 4}. In analogy to the molecule {l_brace}V6{r_brace} where the two triangles interact through Yangian operator we then give the magnetization for the theoretical molecule '{l_brace}V8{r_brace}' model which is comprised of two parallelograms. Following the example of molecule {l_brace}V15{r_brace}, we give another theoretical molecule model regarding the four 1/2 -spins system with total spin S = 1 and predict the local moments to be 9/(10) {mu}{sub B},1/(10) {mu}{sub B},1/(10) {mu}{sub B},9/(10) {mu}{sub B}, respectively.

  20. Comparison of impurity transport in Alcator C-Mod with fluid models of drift wave turbulence

    NASA Astrophysics Data System (ADS)

    Rowan, W. L.; Bespamyatnov, I. O.; Fu, X.; Gentle, K. W.; Horton, W.; Liao, K. T.; Futatani, S.; Fiore, C. L.

    2010-11-01

    Using a new theory, we investigate the influence of the impurity density and impurity density gradient on turbulent particle transport. Heavy impurities (argon is the example here) appear to have the strongest influence while light impurities (boron, for example) may simply transport as passive tracers when in the presence of a significant quantity of heavy impurity. The theory describes how collisional and trapped electron drift wave dynamics are modified by impurities and how the turbulence transports the impurities in a background hydrogenic plasma. The collisional regime is described using a Hasegawa-Wakatani system of equations. The trapped electron mode is modeled with a generalized form of the Terry-Horton system of equations. Measured positive and negative impurity gradients can be predicted, but new experiments will be required to verify the implications of the theory.

  1. Presence or absence of order by disorder in a highly frustrated region of the spin-1/2 Ising-Heisenberg model on triangulated Husimi lattices.

    PubMed

    Strečka, Jozef; Ekiz, Cesur

    2015-05-01

    The geometrically frustrated spin-1/2 Ising-Heisenberg model on triangulated Husimi lattices is exactly solved by combining the generalized star-triangle transformation with the method of exact recursion relations. The ground-state and finite-temperature phase diagrams are rigorously calculated along with both sublattice magnetizations of the Ising and Heisenberg spins. It is evidenced that the Ising-Heisenberg model on triangulated Husimi lattices with two or three interconnected triangles-in-triangles units displays in a highly frustrated region a quantum disorder irrespective of temperature, whereas the same model on triangulated Husimi lattices with a greater connectivity of triangles-in-triangles units exhibits at low enough temperatures an outstanding quantum order due to the order-by-disorder mechanism. The quantum reduction of both sublattice magnetizations in the peculiar quantum ordered state gradually diminishes upon increasing the coordination number of the underlying Husimi lattice. PMID:26066155

  2. Modified Heisenberg model for the zig-zag structure in multiferroic RMn{sub 2}O{sub 5}

    SciTech Connect

    Bahoosh, Safa Golrokh; Wesselinowa, Julia M.; Trimper, Steffen

    2015-08-28

    The class of RMn{sub 2}O{sub 5} (R = Ho, Tb, Y, Eu) compounds offers multiferroic properties where the refined magnetic zig-zag order breaks the inversion symmetry. Varying the temperature, the system undergoes a magnetic and a subsequent ferroelectric phase transition where the ferroelectricity is magnetically induced. We propose a modified anisotropic Heisenberg model that can be used as a tractable analytical model studying the properties of those antiferromagnetic zig-zag spin chains. Based on a finite temperature Green's function method, it is shown that the polarization is induced solely by different exchange couplings of the two different Mn{sup 4+} and Mn{sup 3+} magnetic ions. We calculate the excitation energy of the spin system for finite temperatures, which for its part determines the temperature dependent magnetization and polarization. The ferroelectric phase transition is manifested as a kink in the excitation energy. The variation of the polarization by an external magnetic field depends strongly on the direction of that field. Whereas, the polarization in b-direction increases with an external magnetic field as well in b-direction it can be switched for strong fields in a-direction. The results based on that modified Heisenberg model are in qualitative agreement with experimental data.

  3. Phase structure of the anisotropic antiferromagnetic Heisenberg model on a layered triangular lattice: Spiral state and deconfined spin liquid

    SciTech Connect

    Nakane, Kazuya; Kamijo, Takeshi; Ichinose, Ikuo

    2011-02-01

    In the present paper, we study a spin-1/2 antiferromagnetic (AF) Heisenberg model on layered anisotropic triangular lattice and obtain its phase structure. We use the Schwinger bosons for representing spin operators and also a coherent-state path integral for calculating physical quantities. Finite-temperature properties of the system are investigated by means of the numerical Monte-Carlo simulations. A detailed phase diagram of the system is obtained by calculating internal energy, specific heat, spin correlation functions, etc. There are AF Neel, paramagnetic, and spiral states. Turning on the plaquette term (i.e., the Maxwell term on a lattice) of an emergent U(1) gauge field that flips a pair of parallel spin-singlet bonds, we found that there appears a phase that is regarded as a deconfined spin-liquid state, though 'transition' to this phase from the paramagnetic phase is not of second order but a crossover. In that phase, the emergent gauge boson is a physical gapless excitation coupled with spinons. These results support our previous study on an AF Heisenberg model on a triangular lattice at vanishing temperature.

  4. Heisenberg XXX Model with General Boundaries: Eigenvectors from Algebraic Bethe Ansatz

    NASA Astrophysics Data System (ADS)

    Belliard, Samuel; Crampé, Nicolas

    2013-11-01

    We propose a generalization of the algebraic Bethe ansatz to obtain the eigenvectors of the Heisenberg spin chain with general boundaries associated to the eigenvalues and the Bethe equations found recently by Cao et al. The ansatz takes the usual form of a product of operators acting on a particular vector except that the number of operators is equal to the length of the chain. We prove this result for the chains with small length. We obtain also an off-shell equation (i.e. satisfied without the Bethe equations) formally similar to the ones obtained in the periodic case or with diagonal boundaries.

  5. Berry phase in Heisenberg representation

    NASA Technical Reports Server (NTRS)

    Andreev, V. A.; Klimov, Andrei B.; Lerner, Peter B.

    1994-01-01

    We define the Berry phase for the Heisenberg operators. This definition is motivated by the calculation of the phase shifts by different techniques. These techniques are: the solution of the Heisenberg equations of motion, the solution of the Schrodinger equation in coherent-state representation, and the direct computation of the evolution operator. Our definition of the Berry phase in the Heisenberg representation is consistent with the underlying supersymmetry of the model in the following sense. The structural blocks of the Hamiltonians of supersymmetrical quantum mechanics ('superpairs') are connected by transformations which conserve the similarity in structure of the energy levels of superpairs. These transformations include transformation of phase of the creation-annihilation operators, which are generated by adiabatic cyclic evolution of the parameters of the system.

  6. Vacancy-model-based electronic structure of the Pt- impurity in silicon

    NASA Astrophysics Data System (ADS)

    Anderson, F. G.; Delerue, C.; Lannoo, M.; Allan, G.

    1991-11-01

    We present here a detailed model for the electronic structure of the Pt- impurity in silicon that is consistent with both experimental results and the results of self-consistent empirical tight-binding Green's-function calculations for the on-center and the distorted Pt impurities. This model is based on the electronic structure for this impurity as prescribed by Watkin's vacancy model.

  7. ATOMIC AND MOLECULAR PHYSICS: Quantum Impurity Models with Coupled Cluster Method

    NASA Astrophysics Data System (ADS)

    Liang, Jin-Jun; Emary, Clive; Brandes, Tobias

    2010-09-01

    We investigate the ground-state properties of the Anderson single impurity model (finite Coulomb impurity repulsion) with the Coupled Cluster Method. We consider different CCM reference states and approximation schemes and make comparison with exact Green's function results for the non-interacting model and with Brillouin-Wigner perturbation theory for the full interacting model. Our results show that coupled cluster techniques are well suited to quantum impurity problems.

  8. Phase transition in ultrathin magnetic films with long-range interactions: Monte Carlo simulation of the anisotropic Heisenberg model

    NASA Astrophysics Data System (ADS)

    Rapini, M.; Dias, R. A.; Costa, B. V.

    2007-01-01

    Ultrathin magnetic films can be modeled as an anisotropic Heisenberg model with long-range dipolar interactions. It is believed that the phase diagram presents three phases: An ordered ferromagnetic phase (I), a phase characterized by a change from out-of-plane to in-plane in the magnetization (II), and a high-temperature paramagnetic phase (III). It is claimed that the border lines from phase I to III and II to III are of second order and from I to II is first order. In the present work we have performed a very careful Monte Carlo simulation of the model. Our results strongly support that the line separating phases II and III is of the BKT type.

  9. Effects of a space modulation on the behavior of a 1D alternating Heisenberg spin-1/2 model.

    PubMed

    Mahdavifar, Saeed; Abouie, Jahanfar

    2011-06-22

    The effects of a magnetic field (h) and a space modulation (δ) on the magnetic properties of a one-dimensional antiferromagnetic-ferromagnetic Heisenberg spin-1/2 model have been studied by means of numerical exact diagonalization of finite size systems, the nonlinear σ model, and a bosonization approach. The space modulation is considered on the antiferromagnetic couplings. At δ = 0, the model is mapped to a gapless Lüttinger liquid phase by increasing the magnetic field. However, the space modulation induces a new gap in the spectrum of the system and the system experiences different quantum phases which are separated by four critical fields. By opening the new gap, a magnetization plateau appears at ½M(sat). The effects of the space modulation are reflected in the emergence of a plateau in other physical functions such as the F-dimer and the bond-dimer order parameters, and the pair-wise entanglement. PMID:21613724

  10. Impurity-induced antiferromagnetic domains in the periodic Anderson model

    NASA Astrophysics Data System (ADS)

    Benali, A.; Bai, Z. J.; Curro, N. J.; Scalettar, R. T.

    2016-08-01

    A central feature of the periodic Anderson model is the competition between antiferromagnetism, mediated by the Ruderman-Kittel-Kasuya-Yosida interaction at small conduction electron-local electron hybridization V , and singlet formation at large V . At zero temperature, and in dimension d >1 , these two phases are separated by a quantum critical point Vc. We use quantum Monte Carlo (QMC) simulations to explore the effect of impurities which have a local hybridization V*Vc . We measure the suppression of singlet correlations and the antiferromagnetic correlations which form around the impurity, as well as the size of the resulting domain. Exact diagonalization calculations for linear chains allow us to verify that the qualitative features obtained at intermediate coupling and finite T persist to strong coupling and T =0 , regimes which are difficult to access with QMC. Our calculations agree qualitatively with NMR measurements in CeCoIn5 -xCdx .

  11. Constructive interference between disordered couplings enhances multiparty entanglement in quantum Heisenberg spin glass models

    NASA Astrophysics Data System (ADS)

    Mishra, Utkarsh; Rakshit, Debraj; Prabhu, R.; Sen(De, Aditi; Sen, Ujjwal

    2016-08-01

    Disordered systems form one of the centrestages of research in many body sciences and lead to a plethora of interesting phenomena and applications. A paradigmatic disordered system consists of a one-dimensional array of quantum spin-1/2 particles, governed by the Heisenberg spin glass Hamiltonian with natural or engineered quenched disordered couplings in an external magnetic field. These systems allow disorder-induced enhancement for bipartite and multipartite observables. Here we show that simultaneous application of independent quenched disorders results in disorder-induced enhancement, while the same is absent with individual application of the same disorders. We term the phenomenon as constructive interference and the corresponding parameter stretches as the Venus regions. Interestingly, it has only been observed for multiparty entanglement and is absent for the single- and two-party physical quantities.

  12. Incommensurate phase of a triangular frustrated Heisenberg model studied via Schwinger-boson mean-field theory

    NASA Astrophysics Data System (ADS)

    Li, Peng; Su, Haibin; Dong, Hui-Ning; Shen, Shun-Qing

    2009-08-01

    We study a triangular frustrated antiferromagnetic Heisenberg model with nearest-neighbor interactions J1 and third-nearest-neighbor interactions J3 by means of Schwinger-boson mean-field theory. By setting an antiferromagnetic J3 and varying J1 from positive to negative values, we disclose the low-temperature features of its interesting incommensurate phase. The gapless dispersion of quasiparticles leads to the intrinsic T2 law of specific heat. The magnetic susceptibility is linear in temperature. The local magnetization is significantly reduced by quantum fluctuations. We address possible relevance of these results to the low-temperature properties of NiGa2S4. From a careful analysis of the incommensurate spin wavevector, the interaction parameters are estimated as J1≈-3.8755 K and J3≈14.0628 K, in order to account for the experimental data.

  13. Dynamics of non-planar vortices in the classical 2D anisotropic heisenberg model at finite temperatures

    NASA Astrophysics Data System (ADS)

    Kamppeter, T.; Mertens, F. G.; Sánchez, Angel; Gronbech-Jensen, N.; Bishop, A. R.; Dominguez-Adame, F.

    The 2-dimensional anisotropic Heisenberg model with XY- or easy-plane symmetry bears non-planar vortices which exhibit a localized structure of the z-components of the spins around the vortex center. In order to study the dynamics of these vortices under thermal fluctuations we use the Landau-Lifshitz equation and add white noise and Gilbert damping. Using a collective variable theory we derive an equation of motion with stochastic forces which are shown to represent white noise with an effective diffusion constant. We compare the results with Langevin dynamics simulations for the Landau-Lifshitz equation and find three temperature regimes: For low temperatures the dynamics is described by a 3rd-order equation of motion, for intermediate temperatures by a 1st-order equation. For higher temperatures, but still below the Kosterlitz-Thouless transition temperature, the spontaneous appearance of vortex-antivortex pairs does not allow a single-particle description.

  14. Field-Induced Quantum Phase Transitions in S = 1/2 J1-J2 Heisenberg Model on Square Lattice

    NASA Astrophysics Data System (ADS)

    Morita, Katsuhiro; Shibata, Naokazu

    2016-09-01

    We study the magnetic field dependence of the ground state of the S = 1/2 J1-J2 Heisenberg model on the square lattice by the density matrix renormalization group (DMRG) method. With the use of the sine-square deformation, we obtain eight different ground states including plaquette valence-bond crystal with a finite spin gap, transverse Néel, transverse stripe, 1/2 magnetization plateau with up-up-up-down (uuud), and three new states we named the Y-like, V-like, and Ψ states around J2/J1 = 0.55-0.6. The phase transitions from the transverse Néel (at J2/J1 = 0.55) and stripe (at J2/J1 = 0.6) states to the uuud and Y-like states, respectively, are discontinuous, as in the case of a spin flop.

  15. Full density-matrix numerical renormalization group calculation of impurity susceptibility and specific heat of the Anderson impurity model

    NASA Astrophysics Data System (ADS)

    Merker, L.; Weichselbaum, A.; Costi, T. A.

    2012-08-01

    Recent developments in the numerical renormalization group (NRG) allow the construction of the full density matrix (FDM) of quantum impurity models [see A. Weichselbaum and J. von Delft, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.99.076402 99, 076402 (2007)] by using the completeness of the eliminated states introduced by F. B. Anders and A. Schiller [F. B. Anders and A. Schiller, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.95.196801 95, 196801 (2005)]. While these developments prove particularly useful in the calculation of transient response and finite-temperature Green's functions of quantum impurity models, they may also be used to calculate thermodynamic properties. In this paper, we assess the FDM approach to thermodynamic properties by applying it to the Anderson impurity model. We compare the results for the susceptibility and specific heat to both the conventional approach within NRG and to exact Bethe ansatz results. We also point out a subtlety in the calculation of the susceptibility (in a uniform field) within the FDM approach. Finally, we show numerically that for the Anderson model, the susceptibilities in response to a local and a uniform magnetic field coincide in the wide-band limit, in accordance with the Clogston-Anderson compensation theorem.

  16. Emergent Criticality and Ricci Flow in a 2D Frustrated Heisenberg Model

    NASA Astrophysics Data System (ADS)

    Orth, Peter P.

    2014-03-01

    In most systems that exhibit order at low temperatures, the order occurs in the elementary degrees of freedom such as spin or charge. Prominent examples are magnetic or superconducting states of matter. In contrast, emergent order describes the phenomenon where composite objects exhibit longer range correlations. Such emergent order has been suspected to occur in a range of correlated materials. One specific example are spin systems with competing interactions, where long-range discrete order in the relative orientation of spins may occur. Interestingly, this order parameter may induce other phase transitions as is the case for the nematic transition in the iron pnictides. In this talk, we introduce and discuss a system with emergent Z6 symmetry, a two-dimensional frustrated Heisenberg antiferromagnet on the windmill lattice consisting of interpenetrating honeycomb and triangular lattices. The multiple spin stiffnesses can be captured in terms of a four-dimensional metric tensor, and the renormalization group flow of the stiffnesses is described by the Ricci flow of the metric tensor. The key result is a decoupling of an emergent collective degree of freedom given by the relative phase of spins on different sublattices. In particular, our results reveal a sequence of two Berezinskii-Kosterlitz-Thouless phase transitions that bracket a critical phase.

  17. Toward understanding and modeling of impurity gettering in silicon

    SciTech Connect

    Tan, Teh Y.; Gafiteanu, R.; Goesele, U.M.

    1995-08-01

    Gettering of harmful impurities away from the device active regions has already become an integral part of manufacturing integrated circuits (IC) using Czochralski (CZ) Si wafers, and is experiencing an increasing importance in Si solar cell fabrications for improving the cell efficiency. Gettering consists of (1) the creation of suitable gettering sites; and (2) the gettering processes of contaminants. Requirements for successful gettering differ between the IC and solar cell cases, because ICs are monolithic devices situated at the Si wafer surfaces while solar cells are bulk devices, and because the Si substrate materials used are different. For IC fabrications, the method used is that of intrinsic or internal gettering (IG) which utilizes oxygen precipitates and their associated defects in the CZ Si wafer bulk as gettering sites. Because of the bulk nature of IG sites, the scheme cannot be used also for solar cells. Only some kind of extrinsic or external gettering (EG) schemes with gettering sites located at the wafer surface regions can be used for solar cells. The gettering of the harmful contaminants, usually metals, to the gettering region involves the metal dissolution from precipitated state, the metal atom diffusion to and the stabilization at the gettering sites. A mathematical model of the gettering process is presented.

  18. Mean Field Theory of a Coupled Heisenberg Model and Its Application to an Organic Antiferromagnet with Magnetic Anions

    NASA Astrophysics Data System (ADS)

    Ito, Kazuhiro; Shimahara, Hiroshi

    2016-02-01

    We examine the mean field theory of a uniaxial coupled Heisenberg antiferromagnet with two subsystems, one of which consists of strongly interacting small spins and the other consists of weakly interacting large spins. We reanalyze the experimental data of specific heat and magnetic susceptibility obtained by previous authors for the organic compound λ-(BETS)2FeCl4 at low temperatures, where BETS stands for bis(ethylenedithio)tetraselenafulvalene. The model parameters for this compound are evaluated, where the applicability of the theory is checked. As a result, it is found that J1 ≫ J12 ≫ J2, where J1, J2, and J12 denote the exchange coupling constant between π spins, that between 3d spins, and that between π and 3d spins, respectively. At the low-temperature limit, both sublattice magnetizations of the 3d and π spins are saturated, and the present model is reduced to the Schottky model, which successfully explains experimental observations in previous studies. As temperature increases, fluctuations of 3d spins increase, while π spins remain almost saturated. Near the critical temperature, both spins fluctuate significantly, and thus the mean field approximation breaks down. It is revealed that the magnetic anisotropy, which may be crucial to the antiferromagnetic long-range order, originates from J12 rather than from J2 and that the angle between the magnetic easy-axis and the crystal c-axis is approximately 26-27° in the present effective model.

  19. Relevance of the Heisenberg-Kitaev model for the honeycomb lattice iridates A2IrO3.

    PubMed

    Singh, Yogesh; Manni, S; Reuther, J; Berlijn, T; Thomale, R; Ku, W; Trebst, S; Gegenwart, P

    2012-03-23

    Combining thermodynamic measurements with theoretical calculations we demonstrate that the iridates A2IrO3 (A=Na, Li) are magnetically ordered Mott insulators where the magnetism of the effective spin-orbital S=1/2 moments can be captured by a Heisenberg-Kitaev (HK) model with interactions beyond nearest-neighbor exchange. Experimentally, we observe an increase of the Curie-Weiss temperature from θ≈-125  K for Na2IrO3 to θ≈-33  K for Li2IrO3, while the ordering temperature remains roughly the same T(N)≈15  K. Using functional renormalization group calculations we show that this evolution of θ and T(N) as well as the low temperature zigzag magnetic order can be captured within this extended HK model. We estimate that Na2IrO3 is deep in a magnetically ordered regime, while Li2IrO3 appears to be close to a spin-liquid regime.

  20. Relevance of the Heisenberg-Kitaev Model for the Honeycomb Lattice Iridates A2IrO3

    SciTech Connect

    Singh Y.; Berlijn T.; Singh, Y.; Manni, S.; Reuther, J.; Thomale, R.; Ku, W.; Trebst, S.; Gegenwart, P.

    2012-03-23

    Combining thermodynamic measurements with theoretical calculations we demonstrate that the iridates A{sub 2}IrO{sub 3} (A = Na, Li) are magnetically ordered Mott insulators where the magnetism of the effective spin-orbital S = 1/2 moments can be captured by a Heisenberg-Kitaev (HK) model with interactions beyond nearest-neighbor exchange. Experimentally, we observe an increase of the Curie-Weiss temperature from {Theta} {approx} -125 K for Na{sub 2}IrO{sub 3} to {Theta} {approx} -33 K for Li{sub 2}IrO{sub 3}, while the ordering temperature remains roughly the same T{sub N} {approx} 15 K. Using functional renormalization group calculations we show that this evolution of {Theta} and T{sub N} as well as the low temperature zigzag magnetic order can be captured within this extended HK model. We estimate that Na{sub 2}IrO{sub 3} is deep in a magnetically ordered regime, while Li{sub 2}IrO{sub 3} appears to be close to a spin-liquid regime.

  1. Heisenberg's First Paper

    ERIC Educational Resources Information Center

    Cassidy, David C.

    1978-01-01

    Describes some of the discussion, correspondances and assumptions of Heisenberg. Includes clarifying and defending his explanation of the anomalous Zeeman Effect to the Quantum Physicists of his time. (GA)

  2. Multiple magnetization plateaus and magnetic structures in the S =1/2 Heisenberg model on the checkerboard lattice

    NASA Astrophysics Data System (ADS)

    Morita, Katsuhiro; Shibata, Naokazu

    2016-10-01

    We study the ground state of the S =1/2 Heisenberg model on the checkerboard lattice in a magnetic field by the density matrix renormalization group method with the sine-square deformation. We obtain magnetization plateaus at M /Msat=0 ,1/4 ,3/8 ,1/2 , and 3/4 , where Msat is the saturated magnetization. The obtained 3/4 plateau state is consistent with the exact result, and the 1/2 plateau is found to have a four-spin resonating loop structure similar to the six-spin loop structure of the 1/3 plateau of the kagome lattice. Different four-spin loop structures are obtained in the 1/4 and 3/8 plateaus but no corresponding states exist in the kagome lattice. The 3/8 plateau has a unique magnetic structure of three types of four-spin local quantum states in a 4 √{2 }×2 √{2 } magnetic unit cell with a 16-fold degeneracy.

  3. Heat capacity and monogamy relations in the mixed-three-spin XXX Heisenberg model at low temperatures

    NASA Astrophysics Data System (ADS)

    Zad, Hamid Arian; Movahhedian, Hossein

    2016-08-01

    Heat capacity of a mixed-three-spin (1/2,1,1/2) antiferromagnetic XXX Heisenberg chain is precisely investigated by use of the partition function of the system for which, spins (1,1/2) have coupling constant J1 and spins (1/2,1/2) have coupling constant J2. We verify tripartite entanglement for the model by means of the convex roof extended negativity (CREN) and concurrence as functions of temperature T, homogeneous magnetic field B and the coupling constants J1 and J2. As shown in our previous work, [H. A. Zad, Chin. Phys. B 25 (2016) 030303.] the temperature, the magnetic field and the coupling constants dependences of the heat capacity for such spin system have different behaviors for the entangled and separable states, hence, we did some useful comparisons between this quantity and negativities of its organized bipartite (sub)systems at entangled and separable states. Here, we compare the heat capacity of the mixed-three-spin (1/2,1,1/2) system with the CREN and the tripartite concurrence (as measures of the tripartite entanglement) at low temperature. Ground state phase transitions, and also, transition from ground state to some excited states are explained in detail for this system at zero temperature. Finally, we investigate the heat capacity behavior around those critical points in which these quantum phase transitions occur.

  4. Phase transitions in a frustrated biquadratic Heisenberg model with coupled orbital degrees of freedom for iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Zhuo, W. Z.; Qin, M. H.; Dong, S.; Li, X. G.; Liu, J.-M.

    2016-03-01

    In this paper, we study a biquadratic Heisenberg model with coupled orbital degrees of freedom by using a Monte Carlo simulation to investigate the phase transitions in iron-based superconductors. The antiferroquadrupolar state, which may be related to the magnetism of FeSe [R. Yu and Q. Si, Phys. Rev. Lett. 115, 116401 (2015), 10.1103/PhysRevLett.115.116401], is stabilized by the anisotropic biquadratic interaction induced by a ferro-orbital-ordered state. It is revealed that the orbital and nematic transitions occur at the same temperature for all the cases, supporting the mechanism of the orbital-driven nematicity as revealed in most recent experiments [S. H. Baek, D. V. Efremov, J. M. Ok, J. S. Kim, J. van den Brink, and B. Büchner, Nat. Mater. 14, 210 (2015), 10.1038/nmat4138]. In addition, it is suggested that the orbital interaction may lead to the separation of the structural and magnetic phase transitions, as observed in many families of iron pnictides.

  5. Entanglement of magnetic impurities through electron scattering in an electric field

    NASA Astrophysics Data System (ADS)

    Lazo-Arjona, Oscar; Cordourier-Maruri, Guillermo; de Coss, Romeo

    2015-10-01

    We show that the entanglement between two distant magnetic impurities, generated via electron scattering, can be easily modulated by controlling the magnitude of an applied external electric field. We assume that the two magnetic impurities are fixed and located on an one-dimensional quantum wire. A ballistic electron moving through the wire is scattered off by both impurities, so the electron spin can be seen as a mediator between the spins of the impurities. Heisenberg operators are used to describe the interactions between electron and impurities spins. We use a wave guide formalism to model the ballistic electron wave function. Entanglement control is shown to be possible for three different protocols of entanglement detection. The effect of detection protocols on the entanglement extraction is discussed.

  6. Quantum impurity in a Luttinger liquid: Exact solution of the Kane-Fisher model

    NASA Astrophysics Data System (ADS)

    Rylands, Colin; Andrei, Natan

    2016-09-01

    A Luttinger liquid coupled to a quantum impurity describes a large number of physical systems. The Hamiltonian consists of left- and right-moving fermions interacting among themselves via a density-density coupling and scattering off a localized transmitting and reflecting impurity. We solve exactly the Hamiltonian by means of an incoming-outgoing scattering Bethe basis which properly incorporates all scattering processes. A related model, the weak-tunneling model, wherein the impurity is replaced by a tunnel junction, is solved by the same method. The consistency of the construction is established through a generalized Yang-Baxter relation. Periodic boundary conditions are imposed and the resulting Bethe ansatz equations are derived by means of the off-diagonal Bethe ansatz approach. We derive the spectrum of the model for all coupling constant regimes and calculate the impurity free energy. We discuss the low energy behavior of the systems for both repulsive and attractive interactions.

  7. Modeling of impurity cloud propagation under the action of wind in the ground layer

    NASA Astrophysics Data System (ADS)

    Kotov, G. V.; Fisenko, S. P.

    2011-05-01

    A qualitative analysis and numerical modeling of two- and three-dimensional problems on stationary propagation of a gas impurity under the action of the wind are carried out. It is shown that vertical turbulent diffusion is a major channel of impurity dispersion. A comparison with the data of proving-ground tests confirmed this conclusion. An analytical expression is obtained for the characteristic length of impurity scattering that amounts to about 10-15 m, and it is shown that this length is independent of the wind velocity and is determined by the properties of the underlying soil surface.

  8. First principles modelling of oxygen impurities in UN nuclear fuels

    NASA Astrophysics Data System (ADS)

    Kotomin, E. A.; Mastrikov, Yu. A.

    2008-07-01

    We report results of first principles VASP supercell calculations of O impurity in UN fuels placed either at an interstitial tetrahedral position or as a substitution for a host N ion. In the latter case O perfectly fits into N site producing no lattice distortion. Such the O substitutional impurity only slightly affects the formation energies of U and N vacancies nearby. In both interstitial and substitutional positions O atom attracts the additional electron density and transforms into the negatively charged ion. Oxygen incorporation into pre-existing N vacancy is energetically more favourable than into the interstitial position. The O impurities produce an additional peak at the low energy side of N contribution to the DOS calculated for uranium mononitride which could be used for the O identification by means of the UPS spectroscopy. We compare also the DOS calculated for UN and hypothetical isostructural UO. Both O solution and incorporation energies are negative, indicating that O penetration into UN fuel is the energetically favourable. The migration energy of the interstitial O ion is estimated as 2.8 eV.

  9. Néel to spin-Peierls transition in a quasi-one-dimensional Heisenberg model coupled to bond phonons

    NASA Astrophysics Data System (ADS)

    Pillay, Jason Cornelius; Wierschem, Keola; Sengupta, Pinaki

    2013-08-01

    The zero and finite temperature spin-Peierls transitions in a quasi-one-dimensional spin-(1)/(2) Heisenberg model coupled to adiabatic bond phonons is investigated using the stochastic series expansion (SSE) quantum Monte Carlo (QMC) method. The quantum phase transition from a gapless Néel state to a spin-gapped Peierls state is studied in the parameter space spanned by spatial anisotropy, interchain coupling strength, and spin-lattice coupling strength. It is found that for any finite interchain coupling, the transition to a dimerized Peierls ground state only occurs when the spin-lattice coupling exceeds a finite, nonzero critical value. This is in contrast to the pure 1D model (zero interchain coupling), where adiabatic/classical phonons lead to a dimerized ground state for any nonzero spin-phonon interaction. The phase diagram in the parameter space shows that for a strong interchain coupling, the relation between the interchain coupling and the critical value of the spin-phonon interaction is linear whereas for weak interchain coupling, this behavior is found to have a natural logarithmlike relation. No region was found to have a long range magnetic order and dimerization occurring simultaneously. Instead, the Néel state order vanishes simultaneously with the setting in of the spin-Peierls state. For the thermal phase transition, a continuous heat capacity with a peak at the critical temperature Tc shows a second order phase transition. The variation of the equilibrium bond length distortion δeq with temperature showed a power law relation which decayed to zero as the temperature was increased to Tc, indicating a continuous transition from the dimerized phase to a paramagnetic phase with uniform bond length and zero antiferromagnetic susceptibility.

  10. Remarks towards the spectrum of the Heisenberg spin chain type models

    NASA Astrophysics Data System (ADS)

    Burdík, Č.; Fuksa, J.; Isaev, A. P.; Krivonos, S. O.; Navrátil, O.

    2015-05-01

    The integrable close and open chain models can be formulated in terms of generators of the Hecke algebras. In this review paper, we describe in detail the Bethe ansatz for the XXX and the XXZ integrable close chain models. We find the Bethe vectors for two-component and inhomogeneous models. We also find the Bethe vectors for the fermionic realization of the integrable XXX and XXZ close chain models by means of the algebraic and coordinate Bethe ansatz. Special modification of the XXZ closed spin chain model ("small polaron model") is considered. Finally, we discuss some questions relating to the general open Hecke chain models.

  11. Influence of dilution in the spin transport in the quantum anisotropic two-dimensional Heisenberg antiferromagnet

    NASA Astrophysics Data System (ADS)

    Lima, L. S.

    2016-08-01

    We study the influence of the site disorder in the long range order and in the spin transport in the two-dimensional Heisenberg antiferromagnet with ion-single anisotropy, in the square lattice in T=0 using the SU(3) Schwinger boson theory. We analyze these properties in the regime of Bose-Einstein condensation, where the bosons tz are condensed: = < tz† > = t. In particular, we discuss the influence of the site disorder in the spin transport of this model and in the critical properties, where Dc separates Néel's phase, D Dc, in the spin conductivity. We find that the behavior of the long-range order for D model without impurities with the concentration of nonmagnetic impurities does not affect the spin conductivity.

  12. Model for the catalytic oxidation of CO, including gas-phase impurities and CO desorption

    NASA Astrophysics Data System (ADS)

    Buendía, G. M.; Rikvold, P. A.

    2013-07-01

    We present results of kinetic Monte Carlo simulations of a modified Ziff-Gulari-Barshad model for the reaction CO+O → CO2 on a catalytic surface. Our model includes impurities in the gas phase, CO desorption, and a modification known to eliminate the unphysical O poisoned phase. The impurities can adsorb and desorb on the surface, but otherwise remain inert. In a previous work that did not include CO desorption [Buendía and Rikvold, Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.85.031143 85, 031143 (2012)], we found that the impurities have very distinctive effects on the phase diagram and greatly diminish the reactivity of the system. If the impurities do not desorb, once the system reaches a stationary state, the CO2 production disappears. When the impurities are allowed to desorb, there are regions where the CO2 reaction window reappears, although greatly reduced. Following experimental evidence that indicates that temperature effects are crucial in many catalytic processes, here we further analyze these effects by including a CO desorption rate. We find that the CO desorption has the effect to smooth the transition between the reactive and the CO rich phase, and most importantly it can counteract the negative effects of the presence of impurities by widening the reactive window such that now the system remains catalytically active in the whole range of CO pressures.

  13. Phase transitions and critical properties of the frustrated Heisenberg model on a layer triangular lattice with next-to-nearest-neighbor interactions

    SciTech Connect

    Murtazaev, A. K.; Ramazanov, M. K. Badiev, V. K.

    2012-08-15

    The critical behavior of the three-dimensional antiferromagnetic Heisenberg model with nearest-neighbor (J) and next-to-nearest-neighbor (J{sub 1}) interactions is studied by the replica Monte Carlo method. The first-order phase transition and pseudouniversal critical behavior of this model are established for a small lattice in the interval R = vertical bar J{sub 1}/J vertical bar = 0-0.115. A complete set of the main static magnetic and chiral critical indices is calculated in this interval using the finite-dimensional scaling theory.

  14. Phase diagram of the spin-1/2 triangular J1-J2 Heisenberg model on a three-leg cylinder

    NASA Astrophysics Data System (ADS)

    Saadatmand, S. N.; Powell, B. J.; McCulloch, I. P.

    2015-06-01

    We study the phase diagram of the frustrated Heisenberg model on the triangular lattice with nearest- and next-nearest-neighbor spin-exchange coupling, on three-leg ladders. Using the density-matrix renormalization-group method, we obtain the complete phase diagram of the model, which includes quasi-long-range 120∘ and columnar order, and a Majumdar-Ghosh phase with short-ranged correlations. All these phases are nonchiral and planar. We also identify the nature of phase transitions.

  15. Generalized hard-core dimer model approach to low-energy Heisenberg frustrated antiferromagnets: General properties and application to the kagome antiferromagnet

    NASA Astrophysics Data System (ADS)

    Schwandt, David; Mambrini, Matthieu; Poilblanc, Didier

    2010-06-01

    We propose a general nonperturbative scheme that quantitatively maps the low-energy sector of spin-1/2 frustrated Heisenberg antiferromagnets to effective generalized quantum dimer models. We develop the formal lattice-independent frame and establish some important results on (i) the locality of the generated Hamiltonians, (ii) how full resummations can be performed in this renormalization scheme. The method is then applied to the much debated kagome antiferromagnet for which a fully resummed effective Hamiltonian—shown to capture the essential properties and provide deep insights on the microscopic model [D. Poilblanc, M. Mambrini, and D. Schwandt, Phys. Rev. B 81, 180402(R) (2010)]—is derived.

  16. Generalized hard-core dimer model approach to low-energy Heisenberg frustrated antiferromagnets: General properties and application to the kagome antiferromagnet

    SciTech Connect

    Schwandt, David; Mambrini, Matthieu; Poilblanc, Didier

    2010-06-01

    We propose a general nonperturbative scheme that quantitatively maps the low-energy sector of spin-1/2 frustrated Heisenberg antiferromagnets to effective generalized quantum dimer models. We develop the formal lattice-independent frame and establish some important results on (i) the locality of the generated Hamiltonians, (ii) how full resummations can be performed in this renormalization scheme. The method is then applied to the much debated kagome antiferromagnet for which a fully resummed effective Hamiltonian - shown to capture the essential properties and provide deep insights on the microscopic model [D. Poilblanc, M. Mambrini, and D. Schwandt, Phys. Rev. B 81, 180402(R) (2010)] - is derived.

  17. Chirality and Z2 vortices in a Heisenberg spin model on the kagome lattice

    NASA Astrophysics Data System (ADS)

    Domenge, J.-C.; Lhuillier, C.; Messio, L.; Pierre, L.; Viot, P.

    2008-05-01

    The phase diagram of the classical J1-J2 model on the kagome lattice is investigated by using extensive Monte Carlo simulations. In a realistic range of parameters, this model has a low-temperature chiral-ordered phase without long-range spin order. We show that the critical transition marking the destruction of the chiral order is preempted by the first-order proliferation of Z2 point defects. The core energy of these vortices appears to vanish when approaching the T=0 phase boundary, where both Z2 defects and gapless magnons contribute to disordering the system at very low temperatures. This situation might be typical of a large class of frustrated magnets. Possible relevance for real materials is also discussed.

  18. Novel local symmetries and chiral-symmetry-broken phases in S = 1/2 triangular-lattice Heisenberg model

    NASA Technical Reports Server (NTRS)

    Baskaran, G.

    1989-01-01

    Using a nonmean-field approach the triangular-lattice S = 1/2 Heisenberg antiferromagnet with nearest- and next-nearest-neighbor couplings is shown undergo an Ising-type phase transition into a chiral-symmetry-broken phase (Kalmeyer-Laughlin-like state) at small T. Removal of next-nearest-neighbor coupling introduces a local Z2 symmetry, thereby suppressing any finite-T chiral order.

  19. Dynamical critical behavior of the Ziff-Gulari-Barshad model with quenched impurities

    NASA Astrophysics Data System (ADS)

    de Andrade, M. F.; Figueiredo, W.

    2016-08-01

    The simplest model to explain the CO oxidation in some catalytic processes is the Ziff-Gulari-Barshad (ZGB) model. It predicts a continuous phase transition between an active phase and an absorbing phase composed of O atoms. By employing Monte Carlo simulations we investigate the dynamical critical behavior of the model as a function of the concentration of fixed impurities over the catalytic surface. By means of an epidemic analysis we calculate the critical exponents related to the survival probability Ps (t), the number of empty sites nv (t), and the mean square displacement R2 (t). We show that the critical exponents depend on the concentration of impurities over the lattice, even for small values of this quantity. We also show that the exponents do not belong to the Directed Percolation universality class and are in agreement with the Harris criterion since the quenched impurities behave as a weak disorder in the system.

  20. Electronic structure and correlations of vitamin B12 studied within the Haldane-Anderson impurity model

    NASA Astrophysics Data System (ADS)

    Kandemir, Zafer; Mayda, Selma; Bulut, Nejat

    2016-04-01

    We study the electronic structure and correlations of vitamin B12 (cyanocobalamine) by using the framework of the multi-orbital single-impurity Haldane-Anderson model of a transition-metal impurity in a semiconductor host. The parameters of the effective Haldane-Anderson model are obtained within the Hartree-Fock (HF) approximation. The quantum Monte Carlo (QMC) technique is then used to calculate the one-electron and magnetic correlation functions of this effective model. We observe that new states form inside the semiconductor gap found by HF due to the intra-orbital Coulomb interaction at the impurity 3d orbitals. In particular, the lowest unoccupied states correspond to an impurity bound state, which consists of states from mainly the CN axial ligand and the corrin ring as well as the Co eg-like orbitals. We also observe that the Co (3d) orbitals can develop antiferromagnetic correlations with the surrounding atoms depending on the filling of the impurity bound states. In addition, we make comparisons of the HF+QMC data with the density functional theory calculations. We also discuss the photoabsorption spectrum of cyanocobalamine.

  1. Electronic structure of vitamin B12 within the framework of the Haldane-Anderson impurity model

    NASA Astrophysics Data System (ADS)

    Kandemir, Zafer; Mayda, Selma; Bulut, Nejat

    2015-03-01

    We study the electronic structure of vitamin B12 (cyanocobalamine C63H88CoN14O14P) by using the framework of the multi-orbital single-impurity Haldane-Anderson model of a transition-metal impurity in a semiconductor host. Here, our purpose is to understand the many-body effects originating from the transition-metal impurity. In this approach, the cobalt 3 d orbitals are treated as the impurity states placed in a semiconductor host which consists of the rest of the molecule. The parameters of the resulting effective Haldane-Anderson model are obtained within the Hartree-Fock approximation for the electronic structure of the molecule. The quantum Monte Carlo technique is then used to calculate the one-electron and magnetic correlation functions of this effective Haldane-Anderson model for vitamin B12. We find that new states form inside the semiconductor gap due to the on-site Coulomb interaction at the impurity 3 d orbitals and that these states become the highest occupied molecular orbitals. In addition, we present results on the charge distribution and spin correlations around the Co atom. We compare the results of this approach with those obtained by the density-functional theory calculations.

  2. Ultracold few fermionic atoms in needle-shaped double wells: spin chains and resonating spin clusters from microscopic Hamiltonians emulated via antiferromagnetic Heisenberg and t–J models

    NASA Astrophysics Data System (ADS)

    Yannouleas, Constantine; Brandt, Benedikt B.; Landman, Uzi

    2016-07-01

    Advances with trapped ultracold atoms intensified interest in simulating complex physical phenomena, including quantum magnetism and transitions from itinerant to non-itinerant behavior. Here we show formation of antiferromagnetic ground states of few ultracold fermionic atoms in single and double well (DW) traps, through microscopic Hamiltonian exact diagonalization for two DW arrangements: (i) two linearly oriented one-dimensional, 1D, wells, and (ii) two coupled parallel wells, forming a trap of two-dimensional, 2D, nature. The spectra and spin-resolved conditional probabilities reveal for both cases, under strong repulsion, atomic spatial localization at extemporaneously created sites, forming quantum molecular magnetic structures with non-itinerant character. These findings usher future theoretical and experimental explorations into the highly correlated behavior of ultracold strongly repelling fermionic atoms in higher dimensions, beyond the fermionization physics that is strictly applicable only in the 1D case. The results for four atoms are well described with finite Heisenberg spin-chain and cluster models. The numerical simulations of three fermionic atoms in symmetric DWs reveal the emergent appearance of coupled resonating 2D Heisenberg clusters, whose emulation requires the use of a t–J-like model, akin to that used in investigations of high T c superconductivity. The highly entangled states discovered in the microscopic and model calculations of controllably detuned, asymmetric, DWs suggest three-cold-atom DW quantum computing qubits.

  3. Ultracold few fermionic atoms in needle-shaped double wells: spin chains and resonating spin clusters from microscopic Hamiltonians emulated via antiferromagnetic Heisenberg and t-J models

    NASA Astrophysics Data System (ADS)

    Yannouleas, Constantine; Brandt, Benedikt B.; Landman, Uzi

    2016-07-01

    Advances with trapped ultracold atoms intensified interest in simulating complex physical phenomena, including quantum magnetism and transitions from itinerant to non-itinerant behavior. Here we show formation of antiferromagnetic ground states of few ultracold fermionic atoms in single and double well (DW) traps, through microscopic Hamiltonian exact diagonalization for two DW arrangements: (i) two linearly oriented one-dimensional, 1D, wells, and (ii) two coupled parallel wells, forming a trap of two-dimensional, 2D, nature. The spectra and spin-resolved conditional probabilities reveal for both cases, under strong repulsion, atomic spatial localization at extemporaneously created sites, forming quantum molecular magnetic structures with non-itinerant character. These findings usher future theoretical and experimental explorations into the highly correlated behavior of ultracold strongly repelling fermionic atoms in higher dimensions, beyond the fermionization physics that is strictly applicable only in the 1D case. The results for four atoms are well described with finite Heisenberg spin-chain and cluster models. The numerical simulations of three fermionic atoms in symmetric DWs reveal the emergent appearance of coupled resonating 2D Heisenberg clusters, whose emulation requires the use of a t-J-like model, akin to that used in investigations of high T c superconductivity. The highly entangled states discovered in the microscopic and model calculations of controllably detuned, asymmetric, DWs suggest three-cold-atom DW quantum computing qubits.

  4. High precision determination of the low-energy constants for the two-dimensional quantum Heisenberg model on the honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Jiang, F. J.

    2012-12-01

    The low-energy constants, namely the staggered magnetization density M˜ s per spin, the spin stiffness ρ s , and the spinwave velocity c of the two-dimensional (2-d) spin-1/2 Heisenberg model on the honeycomb lattice are calculated using first principles Monte Carlo method. The spinwave velocity c is determined first through the winding numbers squared. M˜ s and ρ s are then obtained by employing the relevant volume- and temperature-dependence predictions from magnon chiral perturbation theory. The periodic boundary conditions (PBCs) implemented in our simulations lead to a honeycomb lattice covering both a rectangular and a parallelogram-shaped region. Remarkably, by appropriately utilizing the predictions of magnon chiral perturbation theory, the numerical values of M˜ s , ρ s , and c we obtain for both the considered periodic honeycomb lattice of different geometries are consistent with each other quantitatively. The numerical accuracy reached here is greatly improved. Specifically, by simulating the 2-d quantum Heisenberg model on the periodic honeycomb lattice overlaying a rectangular area, we arrive at M˜ s = 0.26882(3), ρ s = 0.1012(2) J, and c = 1.2905(8) Ja. The results we obtain provide a useful lesson for some studies such as simulating fermion actions on hyperdiamond lattice and investigating second order phase transitions with twisted boundary conditions.

  5. Hubbard Model for Atomic Impurities Bound by the Vortex Lattice of a Rotating Bose-Einstein Condensate.

    PubMed

    Johnson, T H; Yuan, Y; Bao, W; Clark, S R; Foot, C; Jaksch, D

    2016-06-17

    We investigate cold bosonic impurity atoms trapped in a vortex lattice formed by condensed bosons of another species. We describe the dynamics of the impurities by a bosonic Hubbard model containing occupation-dependent parameters to capture the effects of strong impurity-impurity interactions. These include both a repulsive direct interaction and an attractive effective interaction mediated by the Bose-Einstein condensate. The occupation dependence of these two competing interactions drastically affects the Hubbard model phase diagram, including causing the disappearance of some Mott lobes. PMID:27367366

  6. Hubbard Model for Atomic Impurities Bound by the Vortex Lattice of a Rotating Bose-Einstein Condensate.

    PubMed

    Johnson, T H; Yuan, Y; Bao, W; Clark, S R; Foot, C; Jaksch, D

    2016-06-17

    We investigate cold bosonic impurity atoms trapped in a vortex lattice formed by condensed bosons of another species. We describe the dynamics of the impurities by a bosonic Hubbard model containing occupation-dependent parameters to capture the effects of strong impurity-impurity interactions. These include both a repulsive direct interaction and an attractive effective interaction mediated by the Bose-Einstein condensate. The occupation dependence of these two competing interactions drastically affects the Hubbard model phase diagram, including causing the disappearance of some Mott lobes.

  7. Experimental observations and model calculations of impurity radiation in a plasma gun compact torus experiment

    SciTech Connect

    Goldenbaum, G.C.; Granneman, E.H.A.; Hartman, C.W.; Prono, D.S.; Taska, J.; Turner, W.C.

    1982-08-10

    Several types of radiation measurements were performed on the Beta II compact forms experiment. Among these are time integrated spectra ranging in wavelength from the vuv to the uv, time resolved bolometer measurements of radiation from the x-ray to the infrared, and time and wavelength resolved measurements of certain spectral lines. It is difficult to relate any one of these measurements to plasma parameters of interest such as temperature, density, or impurity content. In this report we compare the results of these, and other measurements with two simple models of the power balance in the plasma in order to estimate the effect of carbon and oxygen impurities on plasma lifetime.

  8. The Heisenberg-Weyl algebra on the circle and a related quantum mechanical model for hindered rotation.

    PubMed

    Kouri, Donald J; Markovich, Thomas; Maxwell, Nicholas; Bodmann, Bernhard G

    2009-07-01

    We discuss a periodic variant of the Heisenberg-Weyl algebra, associated with the group of translations and modulations on the circle. Our study of uncertainty minimizers leads to a periodic version of canonical coherent states. Unlike the canonical, Cartesian case, there are states for which the uncertainty product associated with the generators of the algebra vanishes. Next, we explore the supersymmetric (SUSY) quantum mechanical setting for the uncertainty-minimizing states and interpret them as leading to a family of "hindered rotors". Finally, we present a standard quantum mechanical treatment of one of these hindered rotor systems, including numerically generated eigenstates and energies.

  9. Experimental measurements and modeling of impurity transport in the divertor and boundary plasma of DIII-D

    SciTech Connect

    West, W.P.; Brooks, N.H.; Allen, S.L.

    1994-07-01

    Analysis of trace impurity injection experiments on DIII-D during a beam power scan is presented. Spectroscopic measu- rements indicate that as beam power is increased, and concomitantly ELM frequency and scrape-off-layer thickness increase while energy confinement decreases, the core impurity content decreases only slightly. Modeling of the edge plasma using the UEDGE 2D and NEWT1D plasma fluid codes indicate that as beam power is increased, the parallel forces on an impurity ion increase in the direction from the divertor and toward the core plasma. Experiments using the divertor cryopump to induce higher parallel particle flow toward the divertor demonstrate significant reduction in core impurity content. These results indicate that parallel forces on impurity ions in the scrape off layer are playing a significant role in core impurity content.

  10. Dynamic creation of a topologically-ordered Hamiltonian using spin-pulse control in the Heisenberg model

    PubMed Central

    Tanamoto, Tetsufumi; Ono, Keiji; Liu, Yu-xi; Nori, Franco

    2015-01-01

    Hamiltonian engineering is an important approach for quantum information processing, when appropriate materials do not exist in nature or are unstable. So far there is no stable material for the Kitaev spin Hamiltonian with anisotropic interactions on a honeycomb lattice, which plays a crucial role in the realization of both Abelian and non-Abelian anyons. Here, we show two methods to dynamically realize the Kitaev spin Hamiltonian from the conventional Heisenberg spin Hamiltonian using pulse-control techniques based on the Baker-Campbell-Hausdorff (BCH) formula. In the first method, the Heisenberg interaction is changed into Ising interactions in the first process of the pulse sequence. In the next process of the first method, we transform them to a desirable anisotropic Kitaev spin Hamiltonian. In the second more efficient method, we show that if we carefully design two-dimensional pulses that vary depending on the qubit location, we can obtain the desired Hamiltonian in only one step of applying the BCH formula. As an example, we apply our methods to spin qubits based on quantum dots, in which the effects of both the spin-orbit interaction and the hyperfine interaction are estimated. PMID:26081899

  11. Density matrix renormalization group study in energy space for a single-impurity Anderson model and an impurity quantum phase transition

    NASA Astrophysics Data System (ADS)

    Shirakawa, Tomonori; Yunoki, Seiji

    2016-05-01

    The density matrix renormalization group method is introduced in energy space to study Anderson impurity models. The method allows for calculations in the thermodynamic limit and is advantageous for studying not only the dynamical properties, but also the quantum entanglement of the ground state at the vicinity of an impurity quantum phase transition. This method is applied to obtain numerically exactly the ground-state phase diagram of the single-impurity Anderson model on the honeycomb lattice at half-filling. The calculation of local static quantities shows that the phase diagram contains two distinct phases, the local moment (LM) phase and the asymmetric strong coupling (ASC) phase, but no Kondo screening phase. These results are supported by the local spin and charge excitation spectra, which exhibit qualitatively different behavior in these two phases and also reveal the existence of the valence fluctuating point at the phase boundary. For comparison, we also study the low-energy effective pseudogap Anderson model using the method introduced here. Although the high-energy excitations are obviously different, we find that the ground-state phase diagram and the asymptotically low-energy excitations are in good quantitative agreement with those for the single-impurity Anderson model on the honeycomb lattice, thus providing a quantitative justification for the previous studies based on low-energy approximate approaches. Furthermore, we find that the lowest entanglement level is doubly degenerate for the LM phase, whereas it is singlet for the ASC phase and is accidentally threefold degenerate at the valence fluctuating point. This should be contrasted with the degeneracy of the energy spectrum because the ground state is found to be always singlet. Our results therefore clearly demonstrate that the low-lying entanglement spectrum can be used to determine with high accuracy the phase boundary of the impurity quantum phase transition.

  12. Variational Monte Carlo method in the presence of spin-orbit interaction and its application to Kitaev and Kitaev-Heisenberg models

    NASA Astrophysics Data System (ADS)

    Kurita, Moyuru; Yamaji, Youhei; Morita, Satoshi; Imada, Masatoshi

    2015-07-01

    We propose an accurate variational Monte Carlo method applicable in the presence of the strong spin-orbit interactions. The algorithm is applicable even in a wider class of Hamiltonians that do not have the spin-rotational symmetry. Our variational wave functions consist of generalized Pfaffian-Slater wave functions that involve mixtures of singlet and triplet Cooper pairs, Jastrow-Gutzwiller-type projections, and quantum number projections. The generalized wave functions allow describing states including a wide class of symmetry-broken states, ranging from magnetic and/or charge ordered states to superconducting states and their fluctuations, on equal footing without any ad hoc ansatz for variational wave functions. We detail our optimization scheme for the generalized Pfaffian-Slater wave functions with complex-number variational parameters. Generalized quantum number projections are also introduced, which imposes the conservation of not only the momentum quantum number but also Wilson loops. As a demonstration of the capability of the present variational Monte Carlo method, the accuracy and efficiency is tested for the Kitaev and Kitaev-Heisenberg models, which lack the SU(2) spin-rotational symmetry except at the Heisenberg limit. The Kitaev model serves as a critical benchmark of the present method: The exact ground state of the model is a typical gapless quantum spin liquid far beyond the reach of simple mean-field wave functions. The newly introduced quantum number projections precisely reproduce the ground state degeneracy of the Kitaev spin liquids, in addition to their ground state energy. An application to a closely related itinerant model described by a multiorbital Hubbard model with the spin-orbit interaction also shows promising benchmark results. The strong-coupling limit of the multiorbital Hubbard model is indeed described by the Kitaev model. Our framework offers accurate solutions for the systems where strong electron correlation and spin

  13. Characterization and validation of an in silico toxicology model to predict the mutagenic potential of drug impurities*

    SciTech Connect

    Valerio, Luis G.; Cross, Kevin P.

    2012-05-01

    Control and minimization of human exposure to potential genotoxic impurities found in drug substances and products is an important part of preclinical safety assessments of new drug products. The FDA's 2008 draft guidance on genotoxic and carcinogenic impurities in drug substances and products allows use of computational quantitative structure–activity relationships (QSAR) to identify structural alerts for known and expected impurities present at levels below qualified thresholds. This study provides the information necessary to establish the practical use of a new in silico toxicology model for predicting Salmonella t. mutagenicity (Ames assay outcome) of drug impurities and other chemicals. We describe the model's chemical content and toxicity fingerprint in terms of compound space, molecular and structural toxicophores, and have rigorously tested its predictive power using both cross-validation and external validation experiments, as well as case studies. Consistent with desired regulatory use, the model performs with high sensitivity (81%) and high negative predictivity (81%) based on external validation with 2368 compounds foreign to the model and having known mutagenicity. A database of drug impurities was created from proprietary FDA submissions and the public literature which found significant overlap between the structural features of drug impurities and training set chemicals in the QSAR model. Overall, the model's predictive performance was found to be acceptable for screening drug impurities for Salmonella mutagenicity. -- Highlights: ► We characterize a new in silico model to predict mutagenicity of drug impurities. ► The model predicts Salmonella mutagenicity and will be useful for safety assessment. ► We examine toxicity fingerprints and toxicophores of this Ames assay model. ► We compare these attributes to those found in drug impurities known to FDA/CDER. ► We validate the model and find it has a desired predictive performance.

  14. Antiferroquadrupolar and Ising-nematic orders of a frustrated bilinear-biquadratic Heisenberg model and implications for the magnetism of FeSe.

    PubMed

    Yu, Rong; Si, Qimiao

    2015-09-11

    Motivated by the properties of the iron chalcogenides, we study the phase diagram of a generalized Heisenberg model with frustrated bilinear-biquadratic interactions on a square lattice. We identify zero-temperature phases with antiferroquadrupolar and Ising-nematic orders. The effects of quantum fluctuations and interlayer couplings are analyzed. We propose the Ising-nematic order as underlying the structural phase transition observed in the normal state of FeSe, and discuss the role of the Goldstone modes of the antiferroquadrupolar order for the dipolar magnetic fluctuations in this system. Our results provide a considerably broadened perspective on the overall magnetic phase diagram of the iron chalcogenides and pnictides, and are amenable to tests by new experiments. PMID:26406842

  15. Heisenberg Groups and their Automorphisms over Algebras with Central Involution

    NASA Astrophysics Data System (ADS)

    Johnson, Robert W.

    2015-08-01

    Heisenberg groups over algebras with central involution and their automorphism groups are constructed. The complex quaternion group algebra over a prime field is used as an example. Its subspaces provide finite models for each of the real and complex quadratic spaces with dimension 4 or less. A model for the representations of these Heisenberg groups and automorphism groups is constructed. A pseudo-differential operator enables a parallel treatment of spaces defined over finite and real fields.

  16. Quantum phase transition, universality, and scaling behaviors in the spin-1/2 Heisenberg model with ferromagnetic and antiferromagnetic competing interactions on a honeycomb lattice.

    PubMed

    Huang, Yi-Zhen; Xi, Bin; Chen, Xi; Li, Wei; Wang, Zheng-Chuan; Su, Gang

    2016-06-01

    The quantum phase transition, scaling behaviors, and thermodynamics in the spin-1/2 quantum Heisenberg model with antiferromagnetic coupling J>0 in the armchair direction and ferromagnetic interaction J^{'}<0 in the zigzag direction on a honeycomb lattice are systematically studied using the continuous-time quantum Monte Carlo method. By calculating the Binder ratio Q_{2} and spin stiffness ρ in two directions for various coupling ratios α=J^{'}/J under different lattice sizes, we found that a quantum phase transition from the dimerized phase to the stripe phase occurs at the quantum critical point α_{c}=-0.93. Through the finite-size scaling analysis on Q_{2}, ρ_{x}, and ρ_{y}, we determined the critical exponent related to the correlation length ν to be 0.7212(8), implying that this transition falls into a classical Heisenberg O(3) universality. A zero magnetization plateau is observed in the dimerized phase, whose width decreases with increasing α. A phase diagram in the coupling ratio α-magnetic field h plane is obtained, where four phases, including dimerized, stripe, canted stripe, and polarized, are identified. It is also unveiled that the temperature dependence of the specific heat C(T) for different α's intersects precisely at one point, similar to that of liquid ^{3}He under different pressures and several magnetic compounds under various magnetic fields. The scaling behaviors of Q_{2}, ρ, and C(T) are carefully analyzed. The susceptibility is compared with the experimental data to give the magnetic parameters of both compounds. PMID:27415211

  17. Quantum phase transition, universality, and scaling behaviors in the spin-1/2 Heisenberg model with ferromagnetic and antiferromagnetic competing interactions on a honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Huang, Yi-Zhen; Xi, Bin; Chen, Xi; Li, Wei; Wang, Zheng-Chuan; Su, Gang

    2016-06-01

    The quantum phase transition, scaling behaviors, and thermodynamics in the spin-1/2 quantum Heisenberg model with antiferromagnetic coupling J >0 in the armchair direction and ferromagnetic interaction J'<0 in the zigzag direction on a honeycomb lattice are systematically studied using the continuous-time quantum Monte Carlo method. By calculating the Binder ratio Q2 and spin stiffness ρ in two directions for various coupling ratios α =J'/J under different lattice sizes, we found that a quantum phase transition from the dimerized phase to the stripe phase occurs at the quantum critical point αc=-0.93 . Through the finite-size scaling analysis on Q2, ρx, and ρy, we determined the critical exponent related to the correlation length ν to be 0.7212(8), implying that this transition falls into a classical Heisenberg O(3) universality. A zero magnetization plateau is observed in the dimerized phase, whose width decreases with increasing α . A phase diagram in the coupling ratio α -magnetic field h plane is obtained, where four phases, including dimerized, stripe, canted stripe, and polarized, are identified. It is also unveiled that the temperature dependence of the specific heat C (T ) for different α 's intersects precisely at one point, similar to that of liquid 3He under different pressures and several magnetic compounds under various magnetic fields. The scaling behaviors of Q2, ρ , and C (T ) are carefully analyzed. The susceptibility is compared with the experimental data to give the magnetic parameters of both compounds.

  18. Impurity gettering

    SciTech Connect

    Picraux, S.T.

    1995-06-01

    Transition metal impurities are well known to cause detrimental effects when present in the active regions of Si devices. Their presence degrades minority carrier lifetime, provides recombination-generation centers, increases junction leakage current and reduces gate oxide integrity. Thus, gettering processes are used to reduce the available metal impurities from the active region of microelectronic circuits. Gettering processes are usually divided into intrinsic (or internal) and extrinsic (or external) categories. Intrinsic refers to processing the Si wafer in a way to make available internal gettering sites, whereas extrinsic implies externally introduced gettering sites. Special concerns have been raised for intrinsic gettering. Not only will the formation of the precipitated oxide and denuded zone be difficult to achieve with the lower thermal budgets, but another inherent limit may set in. In this or any process which relies on the precipitation of metal silicides the impurity concentration can only be reduced as low as the solid solubility limit. However, the solubilities of transition metals relative to silicide formation are typically found to be {approx_gt}10{sup 12}/cm{sup 3} at temperatures of 800 C and above, and thus inadequate to getter to the needed concentration levels. It is thus anticipated that future microelectronic device processing will require one or more of the following advances in gettering technology: (1) new and more effective gettering mechanisms; (2) quantitative models of gettering to allow process optimization at low process thermal budgets and metal impurity concentrations, and/or (3) development of front side gettering methods to allow for more efficient gettering close to device regions. These trend-driven needs provide a driving force for qualitatively new approaches to gettering and provide possible new opportunities for the use of ion implantation in microelectronics processing.

  19. New method for studying steady states in quantum impurity problems: the interacting resonant level model.

    PubMed

    Doyon, Benjamin

    2007-08-17

    We develop a new perturbative method for studying any steady states of quantum impurities, in or out of equilibrium. We show that steady-state averages are completely fixed by basic properties of the steady-state (Hershfield's) density matrix along with dynamical "impurity conditions." This gives the full perturbative expansion without Feynman diagrams (matrix products instead are used), and "resums" into an equilibrium average that may lend itself to numerical procedures. We calculate the universal current in the interacting resonant level model (IRLM) at finite bias V to first order in Coulomb repulsion U for all V and temperatures. We find that the bias, like the temperature, cuts off low-energy processes. In the IRLM, this implies a power-law decay of the current at large V (also recently observed by Boulat and Saleur at some finite value of U).

  20. Non-equilibrium STLS approach to transport properties of single impurity Anderson model

    NASA Astrophysics Data System (ADS)

    Rezai, Raheleh; Ebrahimi, Farshad

    2014-04-01

    In this work, using the non-equilibrium Keldysh formalism, we study the effects of the electron-electron interaction and the electron-spin correlation on the non-equilibrium Kondo effect and the transport properties of the symmetric single impurity Anderson model (SIAM) at zero temperature by generalizing the self-consistent method of Singwi, Tosi, Land, and Sjolander (STLS) for a single-band tight-binding model with Hubbard type interaction to out of equilibrium steady-states. We at first determine in a self-consistent manner the non-equilibrium spin correlation function, the effective Hubbard interaction, and the double-occupancy at the impurity site. Then, using the non-equilibrium STLS spin polarization function in the non-equilibrium formalism of the iterative perturbation theory (IPT) of Yosida and Yamada, and Horvatic and Zlatic, we compute the spectral density, the current-voltage characteristics and the differential conductance as functions of the applied bias and the strength of on-site Hubbard interaction. We compare our spectral densities at zero bias with the results of numerical renormalization group (NRG) and depict the effects of the electron-electron interaction and electron-spin correlation at the impurity site on the aforementioned properties by comparing our numerical result with the order U2 IPT. Finally, we show that the obtained numerical results on the differential conductance have a quadratic universal scaling behavior and the resulting Kondo temperature shows an exponential behavior.

  1. Quantum correlations of magnetic impurities by a multiple electron scattering in carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Gamboa Angulo, Didier; Cordourier Maruri, Guillermo; de Coss Gómez, Romeo

    In this work we analyze the quantum correlations and polarizations states of magnetic impurities spins, when a multiple electron scattering was taken place. A sequence of non-correlated electrons interacts through scattering producing quantum correlation which will have an impact on the electronic transmission. We consider a short range Heisenberg interaction between ballistic electron and static impurities. We analyze the cases when the electron scattering is produce by one and two impurities, obtaining the electronic transmission rates. Concurrence and fidelity calculations are performed to obtain the level of quantum entanglement and polarization correlations. We also discuss the possible application of this model to metallic and semiconductor carbon nanotubes, which could have important implications on spintronics and quantum information devices.

  2. Heisenberg and the Interpretation of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Camilleri, Kristian

    2009-02-01

    Preface; 1. Introduction; Part I. The Emergence of Quantum Mechanics: 2. Quantum mechanics and the principle of observability; 3. The problem of interpretation; Part II. The Heisenberg-Bohr Dialogue: 4. The wave-particle duality; 5. Indeterminacy and the limits of classical concepts: the turning point in Heisenberg's thought; 6. Heisenberg and Bohr: divergent viewpoints of complementarity; Part III. Heisenberg's Epistemology and Ontology of Quantum Mechanics: 7. The transformation of Kantian philosophy; 8. The linguistic turn in Heisenberg's thought; Conclusion; References; Index.

  3. Heisenberg and the Interpretation of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Camilleri, Kristian

    2011-09-01

    Preface; 1. Introduction; Part I. The Emergence of Quantum Mechanics: 2. Quantum mechanics and the principle of observability; 3. The problem of interpretation; Part II. The Heisenberg-Bohr Dialogue: 4. The wave-particle duality; 5. Indeterminacy and the limits of classical concepts: the turning point in Heisenberg's thought; 6. Heisenberg and Bohr: divergent viewpoints of complementarity; Part III. Heisenberg's Epistemology and Ontology of Quantum Mechanics: 7. The transformation of Kantian philosophy; 8. The linguistic turn in Heisenberg's thought; Conclusion; References; Index.

  4. Local moment approach as a quantum impurity solver for the Hubbard model

    NASA Astrophysics Data System (ADS)

    Barman, Himadri

    2016-07-01

    The local moment approach (LMA) has presented itself as a powerful semianalytical quantum impurity solver (QIS) in the context of the dynamical mean-field theory (DMFT) for the periodic Anderson model and it correctly captures the low-energy Kondo scale for the single impurity model, having excellent agreement with the Bethe ansatz and numerical renormalization group (NRG) results. However, the most common correlated lattice model, the Hubbard model, has not been explored well within the LMA+DMFT framework beyond the insulating phase. Here in our work, within the framework we complete the filling-interaction phase diagram of the single band Hubbard model at zero temperature. Our formalism is generic to any particle filling and can be extended to finite temperature. We contrast our results with another QIS, namely the iterated perturbation theory (IPT) and show that the second spectral moment sum rule improves better as the Hubbard interaction strength grows stronger in LMA, whereas it severely breaks down after the Mott transition in IPT. For the metallic case, the Fermi liquid (FL) scaling agreement with the NRG spectral density supports the fact that the FL scale emerges from the inherent Kondo physics of the impurity model. We also show that, in the metallic phase, the FL scaling of the spectral density leads to universality which extends to infinite frequency range at infinite correlation strength (strong coupling). At large interaction strength, the off half-filling spectral density forms a pseudogap near the Fermi level and filling-controlled Mott transition occurs as one approaches the half-filling. As a response property, we finally study the zero temperature optical conductivity and find universal features such as absorption peak position governed by the FL scale and a doping independent crossing point, often dubbed the isosbestic point in experiments.

  5. Heisenberg symmetry and hypermultiplet manifolds

    NASA Astrophysics Data System (ADS)

    Antoniadis, Ignatios; Derendinger, Jean-Pierre; Marios Petropoulos, P.; Siampos, Konstantinos

    2016-04-01

    We study the emergence of Heisenberg (Bianchi II) algebra in hyper-Kähler and quaternionic spaces. This is motivated by the rôle these spaces with this symmetry play in N = 2 hypermultiplet scalar manifolds. We show how to construct related pairs of hyper-Kähler and quaternionic spaces under general symmetry assumptions, the former being a zooming-in limit of the latter at vanishing scalar curvature. We further apply this method for the two hyper-Kähler spaces with Heisenberg algebra, which is reduced to U (1) × U (1) at the quaternionic level. We also show that no quaternionic spaces exist with a strict Heisenberg symmetry - as opposed to Heisenberg ⋉ U (1). We finally discuss the realization of the latter by gauging appropriate Sp (2 , 4) generators in N = 2 conformal supergravity.

  6. Development and Testing of a Chemical Sputtering Model for the Monte Carlo Impurity (MCI) Code

    NASA Astrophysics Data System (ADS)

    Loh, Y. S.; Evans, T. E.; West, W. P.; Finkenthal, D. F.; Fenstermacher, M. E.; Porter, G. D.

    1997-11-01

    Fluid code calculations indicate that chemical sputtering may be an important process in high density, radiatively detached, tokamak divertor operations. A chemical sputtering model has been designed and installed into the DIII--D Monte Carlo Impurity (MCI) transport code. We will discuss how the model was constructed and the sources of atomic data used. Comparisons between chemical and physical sputtering yields will be presented for differing plasma conditions. Preliminary comparisons with DIII--D experimental data and a discussion of the benchmarking process will be presented.

  7. Investigating the Relationship of Working Memory Tasks and Fluid Intelligence Tests by Means of the Fixed-Links Model in Considering the Impurity Problem

    ERIC Educational Resources Information Center

    Schweizer, Karl

    2007-01-01

    The impurity of measures is considered as cause of erroneous interpretations of observed relationships. This paper concentrates on impurity with respect to the relationship between working memory and fluid intelligence. The means for the identification of impurity was the fixed-links model, which enabled the decomposition of variance into…

  8. Phase Transition of Two-Dimensional Ising Models on the Honeycomb and Related Lattices with Striped Random Impurities

    NASA Astrophysics Data System (ADS)

    Morita, Satoshi; Suzuki, Sei

    2016-01-01

    Two-dimensional Ising models on the honeycomb lattice and the square lattice with striped random impurities are studied to obtain their phase diagrams. Assuming bimodal distributions of the random impurities where all the non-zero couplings have the same magnitude, exact critical values for the fraction p of ferromagnetic bonds at the zero-temperature (T=0) are obtained. The critical lines in the p-T plane are drawn by numerically evaluating the Lyapunov exponent of random matrix products.

  9. SUGRA new inflation with Heisenberg symmetry

    SciTech Connect

    Antusch, Stefan; Cefalà, Francesco E-mail: stefan.antusch@unibas.ch

    2013-10-01

    We propose a realisation of ''new inflation'' in supergravity (SUGRA), where the flatness of the inflaton potential is protected by a Heisenberg symmetry. Inflation can be associated with a particle physics phase transition, with the inflaton being a (D-flat) direction of Higgs fields which break some symmetry at high energies, e.g. of GUT Higgs fields or of Higgs fields for flavour symmetry breaking. This is possible since compared to a shift symmetry, which is usually used to protect a flat inflaton potential, the Heisenberg symmetry is compatible with a (gauge) non-singlet inflaton field. In contrast to conventional new inflation models in SUGRA, where the predictions depend on unknown parameters of the Kaehler potential, the model with Heisenberg symmetry makes discrete predictions for the primordial perturbation parameters which depend only on the order n at which the inflaton appears in the effective superpotential. The predictions for the spectral index n{sub s} can be close to the best-fit value of the latest Planck 2013 results.

  10. Ionic screening of charged impurities in electrolytically gated graphene: A partially linearized Poisson-Boltzmann model.

    PubMed

    Sharma, P; Mišković, Z L

    2015-10-01

    We present a model describing the electrostatic interactions across a structure that consists of a single layer of graphene with large area, lying above an oxide substrate of finite thickness, with its surface exposed to a thick layer of liquid electrolyte containing salt ions. Our goal is to analyze the co-operative screening of the potential fluctuation in a doped graphene due to randomness in the positions of fixed charged impurities in the oxide by the charge carriers in graphene and by the mobile ions in the diffuse layer of the electrolyte. In order to account for a possibly large potential drop in the diffuse later that may arise in an electrolytically gated graphene, we use a partially linearized Poisson-Boltzmann (PB) model of the electrolyte, in which we solve a fully nonlinear PB equation for the surface average of the potential in one dimension, whereas the lateral fluctuations of the potential in graphene are tackled by linearizing the PB equation about the average potential. In this way, we are able to describe the regime of equilibrium doping of graphene to large densities for arbitrary values of the ion concentration without restrictions to the potential drop in the electrolyte. We evaluate the electrostatic Green's function for the partially linearized PB model, which is used to express the screening contributions of the graphene layer and the nearby electrolyte by means of an effective dielectric function. We find that, while the screened potential of a single charged impurity at large in-graphene distances exhibits a strong dependence on the ion concentration in the electrolyte and on the doping density in graphene, in the case of a spatially correlated two-dimensional ensemble of impurities, this dependence is largely suppressed in the autocovariance of the fluctuating potential. PMID:26450303

  11. Ionic screening of charged impurities in electrolytically gated graphene: A partially linearized Poisson-Boltzmann model.

    PubMed

    Sharma, P; Mišković, Z L

    2015-10-01

    We present a model describing the electrostatic interactions across a structure that consists of a single layer of graphene with large area, lying above an oxide substrate of finite thickness, with its surface exposed to a thick layer of liquid electrolyte containing salt ions. Our goal is to analyze the co-operative screening of the potential fluctuation in a doped graphene due to randomness in the positions of fixed charged impurities in the oxide by the charge carriers in graphene and by the mobile ions in the diffuse layer of the electrolyte. In order to account for a possibly large potential drop in the diffuse later that may arise in an electrolytically gated graphene, we use a partially linearized Poisson-Boltzmann (PB) model of the electrolyte, in which we solve a fully nonlinear PB equation for the surface average of the potential in one dimension, whereas the lateral fluctuations of the potential in graphene are tackled by linearizing the PB equation about the average potential. In this way, we are able to describe the regime of equilibrium doping of graphene to large densities for arbitrary values of the ion concentration without restrictions to the potential drop in the electrolyte. We evaluate the electrostatic Green's function for the partially linearized PB model, which is used to express the screening contributions of the graphene layer and the nearby electrolyte by means of an effective dielectric function. We find that, while the screened potential of a single charged impurity at large in-graphene distances exhibits a strong dependence on the ion concentration in the electrolyte and on the doping density in graphene, in the case of a spatially correlated two-dimensional ensemble of impurities, this dependence is largely suppressed in the autocovariance of the fluctuating potential.

  12. Heisenberg Model Analysis on Inelastic Powder Neutron Scattering Data Using Pure and K doped BaMn2 As2 samples

    NASA Astrophysics Data System (ADS)

    Ramazanoglu, Mehmet; Sapkota, A.; Pandey, A.; Johnston, D.; Goldman, Alan; Kreyssig, A.; Abernathy, D.; Niedziela, J.; Stone, M.; McQueeney, R. J.

    Low temperature powder inelastic neutron scattering measurements (INS) were performed on powders of Ba(1-x)KxMn2As2 with x=0(BMA),0.125 and 0.25. BMA is a G type antiferromagnet (AFM) which has local magnetic modulations bridging between the pnictide and cuprate superconductors. Hole doping (K) introduces more metallic behavior. The magnetic contribution to the intensities were retrieved by subtracting the estimated phonon background obtained at high momentum transfers from the raw. The resultant estimated magnetic intensities were analyzed by using damped harmonic oscillator model. The K doping effects create a broadening in the magnetic peak profiles consistent with expected weak FM fluctuations. We also analyzed the INS data using a powder integration routine which is based on J1-J2-Jz Heisenberg Model. The Monte Carlo integration technique is used to obtain the powder-averaged S(Q,E) for a series of Js. The representative values (with lowest chi-squared) obtained for BMA are in agreement with previous results. The values obtained for K doped samples were found in the close proximity to the parent ones. Overall we conclude that the original AFM structure seen in BMA retained its character even in the K doped samples with minimal differences. Work at Ames Laboratory is supported by USDOE under Contract No. DE-AC02-07CH11358 and Work at ITU is supported by TUBITAK 2232.

  13. Exactly Solvable Model for Impurity Scattering at the Edge of the ν = 2 / 3 FQH State

    NASA Astrophysics Data System (ADS)

    Heinrich, Chris; Levin, Michael

    We present an exactly solvable model for impurity scattering on the edge of a ν = 2 / 3 FQH state that is valid in the strong scattering limit. For this model we obtain exact mode expansions for the charge density and current operators, as well as the exact low energy spectrum. Importantly, we find that the low energy theory of the model consists of decoupled and counterpropagating charge and neutral modes, agreeing with the earlier work of Kane, Fisher, and Polchinski. Unlike the previous derivation, which relied on perturbative renormalization group arguments, our approach allows us to derive the emergence of decoupled charge and neutral modes from a microscopic model which is initially far from the decoupled fixed point.

  14. Microscopic Origin of Heisenberg and Non-Heisenberg Exchange Interactions in Ferromagnetic bcc Fe.

    PubMed

    Kvashnin, Y O; Cardias, R; Szilva, A; Di Marco, I; Katsnelson, M I; Lichtenstein, A I; Nordström, L; Klautau, A B; Eriksson, O

    2016-05-27

    By means of first principles calculations, we investigate the nature of exchange coupling in ferromagnetic bcc Fe on a microscopic level. Analyzing the basic electronic structure reveals a drastic difference between the 3d orbitals of E_{g} and T_{2g} symmetries. The latter ones define the shape of the Fermi surface, while the former ones form weakly interacting impurity levels. We demonstrate that, as a result of this, in Fe the T_{2g} orbitals participate in exchange interactions, which are only weakly dependent on the configuration of the spin moments and thus can be classified as Heisenberg-like. These couplings are shown to be driven by Fermi surface nesting. In contrast, for the E_{g} states, the Heisenberg picture breaks down since the corresponding contribution to the exchange interactions is shown to strongly depend on the reference state they are extracted from. Our analysis of the nearest-neighbor coupling indicates that the interactions among E_{g} states are mainly proportional to the corresponding hopping integral and thus can be attributed to be of double-exchange origin. By making a comparison to other magnetic transition metals, we put the results of bcc Fe into context and argue that iron has a unique behavior when it comes to magnetic exchange interactions. PMID:27284671

  15. Microscopic Origin of Heisenberg and Non-Heisenberg Exchange Interactions in Ferromagnetic bcc Fe

    NASA Astrophysics Data System (ADS)

    Kvashnin, Y. O.; Cardias, R.; Szilva, A.; Di Marco, I.; Katsnelson, M. I.; Lichtenstein, A. I.; Nordström, L.; Klautau, A. B.; Eriksson, O.

    2016-05-01

    By means of first principles calculations, we investigate the nature of exchange coupling in ferromagnetic bcc Fe on a microscopic level. Analyzing the basic electronic structure reveals a drastic difference between the 3 d orbitals of Eg and T2 g symmetries. The latter ones define the shape of the Fermi surface, while the former ones form weakly interacting impurity levels. We demonstrate that, as a result of this, in Fe the T2 g orbitals participate in exchange interactions, which are only weakly dependent on the configuration of the spin moments and thus can be classified as Heisenberg-like. These couplings are shown to be driven by Fermi surface nesting. In contrast, for the Eg states, the Heisenberg picture breaks down since the corresponding contribution to the exchange interactions is shown to strongly depend on the reference state they are extracted from. Our analysis of the nearest-neighbor coupling indicates that the interactions among Eg states are mainly proportional to the corresponding hopping integral and thus can be attributed to be of double-exchange origin. By making a comparison to other magnetic transition metals, we put the results of bcc Fe into context and argue that iron has a unique behavior when it comes to magnetic exchange interactions.

  16. Spin-1 J1 -J2 -J3 ferromagnetic Heisenberg model with an easy-plane crystal field on the cubic lattice: A bosonic approach

    NASA Astrophysics Data System (ADS)

    Carvalho, D. C.; Pires, A. S. T.; Mól, L. A. S.

    2016-06-01

    We examine the phase diagram of the spin-1 J1 -J2 -J3 ferromagnetic Heisenberg model with an easy-plane crystal field on the cubic lattice, in which J1 is the ferromagnetic exchange interaction between nearest neighbors, J2 is the antiferromagnetic exchange interaction between next-nearest neighbors and J3 is the antiferromagnetic exchange interaction between next-next-nearest neighbors. Using the bond-operator formalism, we investigate the phase transitions between the disordered paramagnetic phase and the ordered ones. We show that the nature of the quantum phase transitions changes as the frustration parameters (J2/J1, J3/J1) are varied. The zero-temperature phase diagram exhibits second- and first-order transitions, depending on the energy gap behavior. Remarkably, we find a disordered nonmagnetic phase, even in the absence of a crystal field, which is suggested to be a quantum spin liquid candidate. We also depict the phase diagram at finite temperature for some values of crystal field and frustration parameters.

  17. Numerical evidence for a chiral spin liquid in the XXZ antiferromagnetic Heisenberg model on the kagome lattice at m =2/3 magnetization

    NASA Astrophysics Data System (ADS)

    Kumar, Krishna; Changlani, Hitesh J.; Clark, Bryan K.; Fradkin, Eduardo

    2016-10-01

    We perform an exact-diagonalization study of the spin-1/2 XXZ Heisenberg antiferromagnet on the kagome lattice at finite magnetization m =2/3 with an emphasis on the X Y point (Jz=0 ) and in the presence of a small chiral term. Recent analytic work by Kumar et al. [K. Kumar, K. Sun, and E. Fradkin, Phys. Rev. B 90, 174409 (2014), 10.1103/PhysRevB.90.174409] on the same model, using a newly developed flux attachment transformation, predicts a plateau at this value of the magnetization described by a chiral spin liquid (CSL) with a spin Hall conductance of σx y=1/2 . Such a state is topological in nature, has a ground-state degeneracy, and exhibits fractional excitations. We analyze the degeneracy structure in the low-energy manifold, identify the candidate topological states, and use them to compute the modular matrices and Chern numbers, all of which strongly agree with expected theoretical behavior for the σx y=1/2 CSL. In the limit of zero chirality, we find on most (not all) clusters that the topological invariants are still those of a CSL.

  18. Configuration Interaction as an Impurity Solver: Benchmark Dynamical Mean-Field Theory for the Hubbard Model

    NASA Astrophysics Data System (ADS)

    Go, Ara; Millis, Andrew J.

    2013-03-01

    The configuration interaction technique has been widely used in quantum chemistry to solve quantum many body systems with lower computational costs than exact diagonalization and was introduced by Dominika Zgid, Emanuel Gull, and Garnet Kin-Lic Chan [Phys. Rev. B 86, 165128 (2012)] as a solver for the impurity models of dynamical mean field theory. We extend their work, demonstrating for the one and two dimensional Hubbard model how the method reproduces the known results and allows convergence with bath size to be studied in cluster dynamical mean field theory. As an example of the power of the method, cluster dynamical mean field studies of the three band copper-oxygen model are presented. This work was supported by the CMCSN program of the US Department of Energy.

  19. Sub-Heisenberg phase uncertainties

    NASA Astrophysics Data System (ADS)

    Pezzé, Luca

    2013-12-01

    Phase shift estimation with uncertainty below the Heisenberg limit, ΔϕHL∝1/N¯T, where N¯T is the total average number of particles employed, is a mirage of linear quantum interferometry. Recently, Rivas and Luis, [New J. Phys.NJOPFM1367-263010.1088/1367-2630/14/9/093052 14, 093052 (2012)] proposed a scheme to achieve a phase uncertainty Δϕ∝1/N¯Tk, with k an arbitrary exponent. This sparked an intense debate in the literature which, ultimately, does not exclude the possibility to overcome ΔϕHL at specific phase values. Our numerical analysis of the Rivas and Luis proposal shows that sub-Heisenberg uncertainties are obtained only when the estimator is strongly biased. No violation of the Heisenberg limit is found after bias correction or when using a bias-free Bayesian analysis.

  20. Competitive heterogeneous nucleation onto a microscopic impurity in a Potts model

    NASA Astrophysics Data System (ADS)

    Asuquo, Cletus C.; McArthur, Danielle; Bowles, Richard K.

    2016-08-01

    Many metastable systems can nucleate to multiple competing stable or intermediate metastable states. In this work, a Potts model, subject to external fields, is used to study the competitive nucleation of two phases attempting to grow on a microscopic impurity. Monte Carlo simulations are used to calculate the free energy surfaces for the system under different conditions, where the relative stability of the phases is adjusted by changing the interaction parameters, and the nucleation rates obtained using multicomponent transition state theory (TST) are compared with the rates measured using the survival probability method. We find that the two methods predict similar nucleation rates when the free energy barrier used in the transition state theory is defined as the work required to form a critical embryo from the metastable phase. An analysis of the free energy surfaces also reveals that the competition between the nucleating phases leads to an effective drying of the impurity which slows down the nucleation rate compared to the single phase case.

  1. Static and dynamical spin correlations of the S =1/2 random-bond antiferromagnetic Heisenberg model on the triangular and kagome lattices

    NASA Astrophysics Data System (ADS)

    Shimokawa, Tokuro; Watanabe, Ken; Kawamura, Hikaru

    2015-10-01

    Inspired by the recent theoretical suggestion that the random-bond S =1 /2 antiferromagnetic Heisenberg model on the triangular and the kagome lattices might exhibit a randomness-induced quantum spin liquid (QSL) behavior when the strength of the randomness exceeds a critical value, and that this "random-singlet state" might be relevant to the QSL behaviors experimentally observed in triangular organic salts κ -(ET) 2Cu2(CN) 3 and EtMe3Sb [Pd(dmit)2] 2 and in kagome herbertsmithite ZnCu3(OH) 6Cl2 , we further investigate the nature of the static and the dynamical spin correlations of these models. We compute the static and the dynamical spin structure factors, S (q ) and S (q ,ω ) , by means of an exact diagonalization method. In both triangular and kagome models, the computed S (q ,ω ) in the random-singlet state depends on the wave vector q only weakly, robustly exhibiting gapless behaviors accompanied by the broad distribution extending to higher energy ω . Especially in the strongly random kagome model, S (q ,ω ) hardly depends on q , and exhibits an almost flat distribution for a wide range of ω , together with a ω =0 peak. These features agree semiquantitatively with the recent neutron-scattering data on a single-crystal herbertsmithite. Furthermore, the computed magnetization curve agrees almost quantitatively with the experimental one recently measured on a single-crystal herbertsmithite. These results suggest that the QSL state observed in herbertsmithite might indeed be the randomness-induced QSL state, i.e., the random-singlet state.

  2. Decay of a nonlinear impurity in a structured continuum from a nonlinear Fano-Anderson model

    SciTech Connect

    Longhi, Stefano

    2007-05-01

    The decay dynamics of a nonlinear impurity mode embedded in a linear structured continuum is theoretically investigated in the framework of a nonlinear Fano-Anderson model. A gradient flow dynamics for the survival probability is derived in the Van Hove ({lambda}{sup 2}t) limit by a multiple-scale asymptotic analysis, and the role of nonlinearity on the decay law is discussed. In particular, it is shown that the existence of bound states embedded in the continuum acts as transient trapping states which slow down the decay. The dynamical behavior predicted in the {lambda}{sup 2}t limit is studied in detail for a simple tight-binding one-dimensional lattice model, which may describe electron or photon transport in condensed matter or photonic systems. Numerical simulations of the underlying equations confirm, in particular, the trapping effect in the decay process due to bound states embedded in the continuum.

  3. High-order terms in the renormalized perturbation theory for the Anderson impurity model

    NASA Astrophysics Data System (ADS)

    Pandis, Vassilis; Hewson, Alex C.

    2015-09-01

    We study the renormalized perturbation theory of the single-impurity Anderson model, particularly the high-order terms in the expansion of the self-energy in powers of the renormalized coupling U ˜. Though the presence of counterterms in the renormalized theory may appear to complicate the diagrammatics, we show how these can be seamlessly accommodated by carrying out the calculation order-by-order in terms of skeleton diagrams. We describe how the diagrams pertinent to the renormalized self-energy and four vertex can be automatically generated, translated into integrals, and numerically integrated. To maximize the efficiency of our approach we introduce a generalized k -particle/hole propagator, which is used to analytically simplify the resultant integrals and reduce the dimensionality of the integration. We present results for the self-energy and spectral density to fifth order in U ˜, for various values of the model asymmetry, and compare them to a numerical renormalization group calculation.

  4. Tensor-product state approach to spin-1/2 square J1-J2 antiferromagnetic Heisenberg model: Evidence for deconfined quantum criticality

    NASA Astrophysics Data System (ADS)

    Wang, Ling; Gu, Zheng-Cheng; Verstraete, Frank; Wen, Xiao-Gang

    2016-08-01

    The ground state phase of a spin-1/2 J1-J2 antiferromagnetic Heisenberg model on a square lattice around the maximally frustrated regime (J2˜0.5 J1 ) has been debated for decades. Here we study this model using the cluster update algorithm for tensor-product states (TPSs). The ground state energies at finite sizes and in the thermodynamic limit (with finite size scaling) are in good agreement with exact diagonalization study. Through finite size scaling of the spin correlation function, we find the critical point J2c1=0.572 (5 ) J1 and critical exponents ν =0.50 (8 ) ,ηs=0.28 (6 ) . In the range of 0.572 model.

  5. Discrete flavour symmetries from the Heisenberg group

    NASA Astrophysics Data System (ADS)

    Floratos, E. G.; Leontaris, G. K.

    2016-04-01

    Non-abelian discrete symmetries are of particular importance in model building. They are mainly invoked to explain the various fermion mass hierarchies and forbid dangerous superpotential terms. In string models they are usually associated to the geometry of the compactification manifold and more particularly to the magnetised branes in toroidal compactifications. Motivated by these facts, in this note we propose a unified framework to construct representations of finite discrete family groups based on the automorphisms of the discrete and finite Heisenberg group. We focus in particular, on the PSL2 (p) groups which contain the phenomenologically interesting cases.

  6. Non-equilibrium STLS approach to transport properties of single impurity Anderson model

    SciTech Connect

    Rezai, Raheleh Ebrahimi, Farshad

    2014-04-15

    In this work, using the non-equilibrium Keldysh formalism, we study the effects of the electron–electron interaction and the electron-spin correlation on the non-equilibrium Kondo effect and the transport properties of the symmetric single impurity Anderson model (SIAM) at zero temperature by generalizing the self-consistent method of Singwi, Tosi, Land, and Sjolander (STLS) for a single-band tight-binding model with Hubbard type interaction to out of equilibrium steady-states. We at first determine in a self-consistent manner the non-equilibrium spin correlation function, the effective Hubbard interaction, and the double-occupancy at the impurity site. Then, using the non-equilibrium STLS spin polarization function in the non-equilibrium formalism of the iterative perturbation theory (IPT) of Yosida and Yamada, and Horvatic and Zlatic, we compute the spectral density, the current–voltage characteristics and the differential conductance as functions of the applied bias and the strength of on-site Hubbard interaction. We compare our spectral densities at zero bias with the results of numerical renormalization group (NRG) and depict the effects of the electron–electron interaction and electron-spin correlation at the impurity site on the aforementioned properties by comparing our numerical result with the order U{sup 2} IPT. Finally, we show that the obtained numerical results on the differential conductance have a quadratic universal scaling behavior and the resulting Kondo temperature shows an exponential behavior. -- Highlights: •We introduce for the first time the non-equilibrium method of STLS for Hubbard type models. •We determine the transport properties of SIAM using the non-equilibrium STLS method. •We compare our results with order-U2 IPT and NRG. •We show that non-equilibrium STLS, contrary to the GW and self-consistent RPA, produces the two Hubbard peaks in DOS. •We show that the method keeps the universal scaling behavior and correct

  7. Heisenberg and the critical mass

    NASA Astrophysics Data System (ADS)

    Bernstein, Jeremy

    2002-09-01

    An elementary treatment of the critical mass used in nuclear weapons is presented and applied to an analysis of the wartime activities of the German nuclear program. In particular, the work of Werner Heisenberg based on both wartime and postwar documents is discussed.

  8. Analytic Flow Equations for the Fermi Liquid Parameters of the Anderson Impurity Model.

    PubMed

    Pandis, Vassilis; Hewson, Alex C

    2015-08-14

    The low temperature behavior of a Fermi liquid can be described in terms of quasiparticle excitations that are in 1-1 correspondence with those of the noninteracting system. Because of adiabatic continuity, the Landau parameters, which describe the interactions between the quasiparticles, must evolve continuously as the interactions are turned on and be described by a set of flow equations. For strongly correlated electron systems it is not possible to follow this flow in perturbation theory when the interactions become strong. We explore the idea here of overcoming this problem by renormalizing the quasiparticles in this flow using a renormalized perturbation theory. This approach is tested in the case of a single impurity Anderson model. Analytic flow equations are derived which give excellent results for the Landau parameters in the strong correlation regime.

  9. The topological basis expression of Heisenberg spin chain

    NASA Astrophysics Data System (ADS)

    Hu, Taotao; Ren, Hang; Xue, Kang

    2013-11-01

    In this paper, it is shown that the Heisenberg XY, XXZ, XXX, and Ising model all can be constructed from the Braid group algebra generator and the Temperley-Lieb algebra generator. And a new set of topological basis expression is presented. Through acting on the different subspaces, we get the new nontrivial six-dimensional and four-dimensional Braid group matrix representations and Temperley-Lieb matrix representations. The eigenstates of Heisenberg model can be described by the combination of the set of topological bases. It is worth mentioning that the ground state is closely related to parameter q which is the meaningful topological parameter.

  10. Refined computational modeling of SOFCs degradation due to trace impurities in coal syngas

    NASA Astrophysics Data System (ADS)

    Sezer, Hayri

    The Solid Oxide Fuel Cell (SOFC) is a good alternative for clean and efficient power generation. These cells can be operated directly on a wide variety of fuels including biogas, hydrocarbon fuels and synthesized coal gas (syngas), which is a promising avenue for utilization of coal with much less environmental impact. One of the challenges in this technology is poisoning of SOFC anodes by trace impurities contained in coal syngas. One such impurity, phosphine is known to cause catastrophic failure of SOFC anode even at <10ppm concentrations. Fuel impurity degradation patterns can vary by different operating conditions such as humidity, applied current, temperature and anode thickness. In the present study, more detailed models are developed to predict the typical degradation behaviors observed in SOFC anode due to phosphine by extension of an in-house one-dimensional computational code. This model is first used to predict the effect of steam concentration on phosphine induced degradation in anode supported SOFCs. The model is refined based on the experimental observation, which indicate that the phosphine degradation is less severe in the absence of steam. Simulations results showed good agreement with experimental data. Then, a sensitivity analysis, using dual numbers automatic differentiation (DNAD) is performed to investigate the influence of empirical model parameters on model outputs, electrical potential, ohmic and polarization losses. Further, the refined one-dimensional model is extended to a three-dimensional model to study the phosphine induced performance degradation in relatively large planar cells operating on hydrogen fuel. The empirical model parameters are calibrated using button cell experiments and sensitivity analysis as a guide. These parameters are then used in planar cell simulations. The results from the three dimensional model show that the contaminant coverage of nickel and fuel distribution inside the anode is highly non-uniform. These

  11. Modeling of multi-dimensional impurity transport in a realistic tokamak geometry

    NASA Astrophysics Data System (ADS)

    Fukano, A.; Noritake, M.; Hoshino, K.; Yamazaki, R.; Hatayama, A.

    2007-06-01

    A 3D Monte Carlo transport code of heavy metal impurities is developed. The code includes most of important processes of heavy metal impurities, such as Larmor gyration, friction force, Coulomb collision, multi-step ionization and recombination process. The code outputs the 2D density profiles of tungsten impurity on realistic tokamak geometry. Calculations are made for given background plasma profiles for attached and detached plasma, which are the typical conditions in front of the divertor plate. In the attached plasma state, impurity tungsten particles are ionized to higher charge states near the divertor plate due to high background plasma electron temperature. On the other hand, in the detached plasma state, ions in higher charge states exist in the upstream of the divertor region mainly due to low background plasma electron temperature in front of the target plate. Although the code is still under development, it well describes the qualitative feature of impurity transport in the realistic tokamak geometry.

  12. Model development for deactivation of bisphenol-A adduct particles during crystallization under the influence of impurity

    NASA Astrophysics Data System (ADS)

    Alamdari, Abdolmohammad; Nourafkan, Ehsan; Jahanmiri, Abdolhosein

    2010-07-01

    A deactivation mechanism was developed to present the influence of 4-tert-butylphenol as a sample impurity on the bisphenol-A (BPA) adduct particles during the crystallization process. 4-tert-butylphenol is an organic sample impurity generally present in the reaction mixture of the industrial production of BPA. Kinetic parameters of growth, nucleation, agglomeration, and deactivation were estimated using the technique of model fitting to experimental data. The population and mass balances were used to model the adductive crystallization of BPA. Experiments were carried out in several plastic bottles as crystallizers in a rotating bath. Liquid and solid phase information during the course of experiments was provided using the methods of gas chromatography, sieve analysis, and scanning electron microscopy. The impurity influence on the solution thermodynamics was investigated by measuring the width of metastable zone in the presence and in the absence of 4-tert-butylphenol. Consistency of the model predictions of size distributions with the experimental data beyond the range where the parameters were optimized revealed the validity of the model and the accuracy of the parameter values. The results showed that traces of impurity would reduce the BPA solubility, widen the metastability zone, increase agglomeration, and deactivate the growth and nucleation sites on the crystals.

  13. Triple point temperature of neon isotopes: Dependence on nitrogen impurity and sealed-cell model

    SciTech Connect

    Pavese, F.; Steur, P. P. M.; Giraudi, D.

    2013-09-11

    This paper illustrates a study conducted at INRIM, to further check how some quantities influence the value of the triple point temperature of the neon high-purity isotopes {sup 20}Ne and {sup 22}Ne. The influence of nitrogen as a chemical impurity in neon is critical with regard to the present best total uncertainty achieved in the measurement of these triple points, but only one determination is available in the literature. Checks are reported, performed on two different samples of {sup 22}Ne known to contain a N{sub 2} amount of 157⋅10{sup −6}, using two different models of sealed cells. The model of the cell can, in principle, have some effects on the shape of the melting plateau or on the triple point temperature observed for the sample sealed in it. This can be due to cell thermal parameters, or because the INRIM cell element mod. c contains many copper wires closely packed, which can, in principle, constrain the interface and induce a premelting-like effect. The reported results on a cell mod. Bter show no evident effect from the cell model and provide a value for the effect of N{sub 2} in Ne liquidus point of 8.6(1.9) μK ppm N{sub 2}{sup −1}, only slightly different from the literature datum.

  14. On the accuracy of analytical models of impurity segregation during directional melt crystallization and their applicability for quantitative calculations

    NASA Astrophysics Data System (ADS)

    Voloshin, A. E.; Prostomolotov, A. I.; Verezub, N. A.

    2016-11-01

    The paper deals with the analysis of the accuracy of some one-dimensional (1D) analytical models of the axial distribution of impurities in the crystal grown from a melt. The models proposed by Burton-Prim-Slichter, Ostrogorsky-Muller and Garandet with co-authors are considered, these models are compared to the results of a two-dimensional (2D) numerical simulation. Stationary solutions as well as solutions for the initial transient regime obtained using these models are considered. The sources of errors are analyzed, a conclusion is made about the applicability of 1D analytical models for quantitative estimates of impurity incorporation into the crystal sample as well as for the solution of the inverse problems.

  15. Effects of correlated hybridization in the single-impurity Anderson model

    NASA Astrophysics Data System (ADS)

    Líbero, Valter; Veiga, Rodrigo

    2013-03-01

    The development of new materials often dependents on the theoretical foundations which study the microscopic matter, i.e., the way atoms interact and create distinct configurations. Among the interesting materials, those with partially filled d or f orbitals immersed in nonmagnetic metals have been described by the Anderson model, which takes into account Coulomb correlation (U) when a local level (energy Ed) is doubled occupied, and an electronic hybridization between local levels and conduction band states. In addition, here we include a correlated hybridization term, which depends on the local-level occupation number involved. This term breaks particle-hole symmetry (even when U + 2Ed = 0), enhances charge fluctuations on local levels and as a consequence strongly modifies the crossover between the Hamiltonian fixed-points, even suppressing one or other. We exemplify these behaviors showing data obtained from the Numerical Renormalization Group (NRG) computation for the impurity temperature-dependent specific heat, entropy and magnetic susceptibility. The interleaving procedure is used to recover the continuum spectrum after the NRG-logarithmic discretization of the conduction band. Fundação de Amparo à Pesquisa do Estado de São Paulo - FAPESP.

  16. The Consultancy Activity on In Silico Models for Genotoxic Prediction of Pharmaceutical Impurities.

    PubMed

    Pavan, Manuela; Kovarich, Simona; Bassan, Arianna; Broccardo, Lorenza; Yang, Chihae; Fioravanzo, Elena

    2016-01-01

    The toxicological assessment of DNA-reactive/mutagenic or clastogenic impurities plays an important role in the regulatory process for pharmaceuticals; in this context, in silico structure-based approaches are applied as primary tools for the evaluation of the mutagenic potential of the drug impurities. The general recommendations regarding such use of in silico methods are provided in the recent ICH M7 guideline stating that computational (in silico) toxicology assessment should be performed using two (Q)SAR prediction methodologies complementing each other: a statistical-based method and an expert rule-based method.Based on our consultant experience, we describe here a framework for in silico assessment of mutagenic potential of drug impurities. Two main applications of in silico methods are presented: (1) support and optimization of drug synthesis processes by providing early indication of potential genotoxic impurities and (2) regulatory evaluation of genotoxic potential of impurities in compliance with the ICH M7 guideline. Some critical case studies are also discussed.

  17. Applications of advanced kinetic collisional radiative modeling and Bremsstrahlung emission to quantitative impurity analysis on the National Spherical Torus Experiment

    NASA Astrophysics Data System (ADS)

    Muñoz Burgos, J. M.; Tritz, K.; Stutman, D.; Bell, R. E.; LeBlanc, B. P.; Sabbagh, S. A.

    2015-12-01

    An advanced kinetic collisional radiative model is used to predict beam into plasma charge-exchange visible and extreme UV (XUV ∽ 50 -700 Å ) light emission to quantify impurity density profiles on NSTX. This kinetic model is first benchmarked by predicting line-of-sight integrated emission for the visible λ = 5292.0 Å line of carbon (C VI n = 8 → 7), and comparing these predictions to absolute calibrated measurements from the active CHarge-Exchange Recombination Spectroscopy diagnostic (CHERS) on NSTX. Once benchmarked, the model is used to predict charge-exchange emission for the 182.1 Å line of carbon (C VI n = 3 → 2) that is used to scale Bremsstrahlung continuum emission in the UV/XUV region. The scaled Bremsstrahlung emission is used as a base to estimate an absolute intensity calibration curve of a XUV Transmission Grating-based Imaging Spectrometer (TGIS) diagnostic installed on the National Spherical Torus Experiment (NSTX and upgrade NSTX-U). The TGIS diagnostic operates in the wavelength region ∽ 50 -700 Å , and it is used to measure impurity spectra from charge-exchange emission. Impurity densities are estimated by fitting synthetic emission from the kinetic charge-exchange model to TGIS spectral measurements.

  18. Theory of disordered Heisenberg ferromagnets

    NASA Technical Reports Server (NTRS)

    Stubbs, R. M.

    1973-01-01

    A Green's function technique is used to calculate the magnetic properties of Heisenberg ferromagnets in which the exchange interactions deviate randomly in strength from the mean interaction. Systems of sc, bcc, and fcc topologies and of general spin values are treated. Disorder produces marked effects in the density of spin wave states, in the form of enhancement of the low-energy density and extension of the energy band to higher values. The spontaneous magnetization and the Curie temperature decrease with increasing disorder. The effects of disorder are shown to be more pronounced in the ferromagnetic than in the paramagnetic phase.

  19. Conjugacy classes in discrete Heisenberg groups

    SciTech Connect

    Budylin, R Ya

    2014-08-01

    We study an extension of a discrete Heisenberg group coming from the theory of loop groups and find invariants of conjugacy classes in this group. In some cases, including the case of the integer Heisenberg group, we make these invariants more explicit. Bibliography: 4 titles.

  20. A novel QSAR model of Salmonella mutagenicity and its application in the safety assessment of drug impurities

    SciTech Connect

    Valencia, Antoni; Prous, Josep; Mora, Oscar; Sadrieh, Nakissa; Valerio, Luis G.

    2013-12-15

    As indicated in ICH M7 draft guidance, in silico predictive tools including statistically-based QSARs and expert analysis may be used as a computational assessment for bacterial mutagenicity for the qualification of impurities in pharmaceuticals. To address this need, we developed and validated a QSAR model to predict Salmonella t. mutagenicity (Ames assay outcome) of pharmaceutical impurities using Prous Institute's Symmetry℠, a new in silico solution for drug discovery and toxicity screening, and the Mold2 molecular descriptor package (FDA/NCTR). Data was sourced from public benchmark databases with known Ames assay mutagenicity outcomes for 7300 chemicals (57% mutagens). Of these data, 90% was used to train the model and the remaining 10% was set aside as a holdout set for validation. The model's applicability to drug impurities was tested using a FDA/CDER database of 951 structures, of which 94% were found within the model's applicability domain. The predictive performance of the model is acceptable for supporting regulatory decision-making with 84 ± 1% sensitivity, 81 ± 1% specificity, 83 ± 1% concordance and 79 ± 1% negative predictivity based on internal cross-validation, while the holdout dataset yielded 83% sensitivity, 77% specificity, 80% concordance and 78% negative predictivity. Given the importance of having confidence in negative predictions, an additional external validation of the model was also carried out, using marketed drugs known to be Ames-negative, and obtained 98% coverage and 81% specificity. Additionally, Ames mutagenicity data from FDA/CFSAN was used to create another data set of 1535 chemicals for external validation of the model, yielding 98% coverage, 73% sensitivity, 86% specificity, 81% concordance and 84% negative predictivity. - Highlights: • A new in silico QSAR model to predict Ames mutagenicity is described. • The model is extensively validated with chemicals from the FDA and the public domain. • Validation tests

  1. Did Heisenberg Spit at Max Born?

    NASA Astrophysics Data System (ADS)

    Lustig, Harry

    2005-04-01

    In his 1985 book ``The Griffin,'' Arnold Kramish quotes an unnamed ``associate'' of Max Born that when Heisenberg ''was . . . a professor in Göttingen and when the Borns went to visit him, they were met with anti-Jewish sneers and obscenities, and in the end Heisenberg spat on the floor at Max Born's feet!". Kramish, in his own words, states that Heisenberg spat at Born and that the incident took place in 1933. Paul Lawrence Rose places the incident in 1953 and, on the basis of a fuller account from Kramish than the one published, identifies the associate as Born's secretary at Edinburgh University. One may be critical of Heisenberg's character and his behavior under the Nazis, and still be highly skeptical of the Kramish-Rose allegation. The life-long friendship between Born and Heisenberg and the respect which they displayed for each other before, during, and after the Nazi regime, has hardly been challenged by anyone. No known biography of Heisenberg mentions the alleged episode, and none of his obituaries alludes to it. There is no reference to it in Born's autobiography. None of the historians of science, German and American, whom I have consulted credit it. Although it is difficult to prove a negative, it is highly unlikely that Heisenberg spit at Born or on the floor on which they stood.

  2. Werner Heisenberg (1901-1976)

    NASA Astrophysics Data System (ADS)

    Yang, Chen Ning

    2013-05-01

    Werner Heisenberg was one of the greatest physicists of all times. When he started out as a young research worker, the world of physics was in a very confused and frustrating state, which Abraham Pais has described1 as: It was the spring of hope, it was the winter of despair using Charles Dickens' words in A Tale of Two Cities. People were playing a guessing game: There were from time to time great triumphs in proposing, through sheer intuition, make-shift schemes that amazingly explained some regularities in spectral physics, leading to joy. But invariably such successes would be followed by further work which reveal the inconsistency or inadequacy of the new scheme, leading to despair...

  3. Qualitative breakdown of the noncrossing approximation for the symmetric one-channel Anderson impurity model at all temperatures

    NASA Astrophysics Data System (ADS)

    Sposetti, C. N.; Manuel, L. O.; Roura-Bas, P.

    2016-08-01

    The Anderson impurity model is studied by means of the self-consistent hybridization expansions in its noncrossing (NCA) and one-crossing (OCA) approximations. We have found that for the one-channel spin-1 /2 particle-hole symmetric Anderson model, the NCA results are qualitatively wrong for any temperature, even when the approximation gives the exact threshold exponents of the ionic states. Actually, the NCA solution describes an overscreened Kondo effect, because it is the same as for the two-channel infinite-U single-level Anderson model. We explicitly show that the NCA is unable to distinguish between these two very different physical systems, independently of temperature. Using the impurity entropy as an example, we show that the low-temperature values of the NCA entropy for the symmetric case yield the limit Simp(T =0 ) →ln√{2 }, which corresponds to the zero temperature entropy of the overscreened Kondo model. Similar pathologies are predicted for any other thermodynamic property. On the other hand, we have found that the OCA approach lifts the artificial mapping between the models and restores correct properties of the ground state, for instance, a vanishing entropy at low enough temperatures Simp(T =0 ) →0 . Our results indicate that the very well known NCA should be used with caution close to the symmetric point of the Anderson model.

  4. Quantum states for Heisenberg-limited interferometry

    SciTech Connect

    Uys, H.; Meystre, P.

    2007-07-15

    The phase sensitivity of interferometers is limited by the so-called Heisenberg limit, which states that the optimum phase sensitivity is inversely proportional to the number of interfering particles N, a 1/{radical}(N) improvement over the standard quantum limit. We have used simulated annealing, a global optimization strategy, to systematically search for quantum interferometer input states that approach the Heisenberg-limited uncertainty in estimates of the interferometer phase shift. We compare the performance of these states to that of other nonclassical states already known to yield Heisenberg-limited uncertainty.

  5. 100 Years Werner Heisenberg: Works and Impact

    NASA Astrophysics Data System (ADS)

    Papenfuß, Dietrich; Lüst, Dieter; Schleich, Wolfgang P.

    2003-09-01

    Over 40 renowned scientists from all around the world discuss the work and influence of Werner Heisenberg. The papers result from the symposium held by the Alexander von Humboldt-Stiftung on the occasion of the 100th anniversary of Heisenberg's birth, one of the most important physicists of the 20th century and cofounder of modern-day quantum mechanics. Taking atomic and laser physics as their starting point, the scientists illustrate the impact of Heisenberg's theories on astroparticle physics, high-energy physics and string theory right up to processing quantum information.

  6. Dynamical impurity problems

    SciTech Connect

    Emery, V.J.; Kivelson, S.A.

    1993-12-31

    In the past few years there has been a resurgence of interest in dynamical impurity problems, as a result of developments in the theory of correlated electron systems. The general dynamical impurity problem is a set of conduction electrons interacting with an impurity which has internal degrees of freedom. The simplest and earliest example, the Kondo problem, has attracted interest since the mid-sixties not only because of its physical importance but also as an example of a model displaying logarithmic divergences order by order in perturbation theory. It provided one of the earliest applications of the renormalization group method, which is designed to deal with just such a situation. As we shall see, the antiferromagnetic Kondo model is controlled by a strong-coupling fixed point, and the essence of the renormalization group solution is to carry out the global renormalization numerically starting from the original (weak-coupling) Hamiltonian. In these lectures, we shall describe an alternative route in which we identify an exactly solvable model which renormalizes to the same fixed point as the original dynamical impurity problem. This approach is akin to determining the critical behavior at a second order phase transition point by solving any model in a given universality class.

  7. Spin dynamics simulations for a nanoscale Heisenberg antiferromagnet

    NASA Astrophysics Data System (ADS)

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

    2010-03-01

    Thermoinduced magnetization(TiM) is a novel response which was predicted to occur in nanoscale antiferromagnetic materials. Extensive Monte Carlo simulations footnotetextG. Brown, A. Janotti, M. Eisenbach, and G. M. Stocks, Phys.Rev.B 72, 140405(2005) have shown that TiM is an intrinsic property of the antiferromagnetic classical Heisenberg model below the Neel temperature. To obtain a fundamental understanding of TiM, spin dynamics(SD) simulations are performed to study the spin wave behavior, which seems to be the cause of TiM. A classical Heisenberg model with an antiferromagnetic nearest-neighbor exchange interaction and uniaxial single-site anisotropy is studied. Simple-cubic lattices with free boundary conditions are used. We employed the fast spin dynamics algorithms with fourth-order Suzuki-Trotter decompositions of the exponential operator. Additional small excitation peaks due to surface effects are found in transverse S(q,w).

  8. Magnetism of substitutional Co impurities in graphene: Realization of single π vacancies

    NASA Astrophysics Data System (ADS)

    Santos, E. J. G.; Sánchez-Portal, D.; Ayuela, A.

    2010-03-01

    We report ab initio calculations of the structural, electronic, and magnetic properties of a graphene monolayer substitutionally doped with Co(Cosub) atoms. These calculations are done within density-functional theory using the generalized gradient approximation. We focus in Co because among traditional ferromagnetic elements (Fe, Co, and Ni), only Cosub atoms induce spin polarization in graphene. Our results show the complex magnetism of Co substitutional impurities in graphene, which is mapped into simple models such as the π -vacancy and Heisenberg model. The links established in our work can be used to bring into contact the engineering of nanostructures with the results of π models in defective graphene. In principle, the structures considered here can be fabricated using electron irradiation to create defects and depositing Co at the same time.

  9. Bi-stability in single impurity Anderson model with strong electron-phonon interaction(polaron regime)

    NASA Astrophysics Data System (ADS)

    Eskandari-asl, Amir

    2016-09-01

    We consider a single impurity Anderson model (SIAM) in which the quantum dot(QD) is strongly coupled to a phonon bath in polaron regime. This coupling results in an effective e-e attraction. By computing the self energies using a current conserving approximation which is up to second order in this effective attraction, we show that if the interaction is strong enough, in non particle-hole (PH) symmetric case, the system would be bi-stable and we have hysteresis loop in the I-V characteristic. Moreover, the system shows negative differential conductance in some bias voltage intervals.

  10. Adiabatic limits on Riemannian Heisenberg manifolds

    SciTech Connect

    Yakovlev, A A

    2008-02-28

    An asymptotic formula is obtained for the distribution function of the spectrum of the Laplace operator, in the adiabatic limit for the foliation defined by the orbits of an invariant flow on a compact Riemannian Heisenberg manifold. Bibliography: 21 titles.

  11. Coexistence of twisted and untwisted crystals: An impurity/structural order model with implications for agate patterns

    USGS Publications Warehouse

    Comer, J.; Ortoleva, P.

    2007-01-01

    Coexistence of twisted and untwisted crystals is explained via a model that accounts for the coupling of the entropic and energetic effects of impurities and a supra-lattice-scale structural order parameter. It is shown that twisted impure crystals can be in equilibrium with untwisted purer ones. The model explains how coexistence can occur in agates and other systems under hydrostatic stress. The model implies that untwisted crystals grown under one set of conditions could undergo a phase separation that, when accompanied by an imposed compositional gradient, leads to commonly observed, alternating bands of twisted and untwisted crystals and, when occurring in the absence of an external gradient, mossy patterns of crystal texture can emerge. This phenomenon is not related to anisotropic applied stress. Rather coexistence is a consequence of a compositional segregation/twist phase transition. Since twist coexistence is a compositional equilibrium, it arises from the exchange between bulk phases; hence, the detailed nature of the atomic structure within an interface between twisted and untwisted zones is not relevant. The approach places crystal-twist phenomena within the theory of order/disorder phase transitions.

  12. Space Group Symmetry Fractionalization in a Chiral Kagome Heisenberg Antiferromagnet.

    PubMed

    Zaletel, Michael P; Zhu, Zhenyue; Lu, Yuan-Ming; Vishwanath, Ashvin; White, Steven R

    2016-05-13

    The anyonic excitations of a spin liquid can feature fractional quantum numbers under space group symmetries. Detecting these fractional quantum numbers, which are analogs of the fractional charge of Laughlin quasiparticles, may prove easier than the direct observation of anyonic braiding and statistics. Motivated by the recent numerical discovery of spin-liquid phases in the kagome Heisenberg antiferromagnet, we theoretically predict the pattern of space group symmetry fractionalization in the kagome lattice SO(3)-symmetric chiral spin liquid. We provide a method to detect these fractional quantum numbers in finite-size numerics which is simple to implement in the density matrix renormalization group. Applying these developments to the chiral spin liquid phase of a kagome Heisenberg model, we find perfect agreement between our theoretical prediction and numerical observations. PMID:27232041

  13. Heisenberg picture approach to the stability of quantum Markov systems

    SciTech Connect

    Pan, Yu E-mail: zibo.miao@anu.edu.au; Miao, Zibo E-mail: zibo.miao@anu.edu.au; Amini, Hadis; Gough, John; Ugrinovskii, Valery; James, Matthew R.

    2014-06-15

    Quantum Markovian systems, modeled as unitary dilations in the quantum stochastic calculus of Hudson and Parthasarathy, have become standard in current quantum technological applications. This paper investigates the stability theory of such systems. Lyapunov-type conditions in the Heisenberg picture are derived in order to stabilize the evolution of system operators as well as the underlying dynamics of the quantum states. In particular, using the quantum Markov semigroup associated with this quantum stochastic differential equation, we derive sufficient conditions for the existence and stability of a unique and faithful invariant quantum state. Furthermore, this paper proves the quantum invariance principle, which extends the LaSalle invariance principle to quantum systems in the Heisenberg picture. These results are formulated in terms of algebraic constraints suitable for engineering quantum systems that are used in coherent feedback networks.

  14. Renormalization group approach to the Fröhlich polaron model: application to impurity-BEC problem

    PubMed Central

    Grusdt, F.; Shchadilova, Y. E.; Rubtsov, A. N.; Demler, E.

    2015-01-01

    When a mobile impurity interacts with a many-body system, such as a phonon bath, a polaron is formed. Despite the importance of the polaron problem for a wide range of physical systems, a unified theoretical description valid for arbitrary coupling strengths is still lacking. Here we develop a renormalization group approach for analyzing a paradigmatic model of polarons, the so-called Fröhlich model, and apply it to a problem of impurity atoms immersed in a Bose-Einstein condensate of ultra cold atoms. Polaron energies obtained by our method are in excellent agreement with recent diagrammatic Monte Carlo calculations for a wide range of interaction strengths. They are found to be logarithmically divergent with the ultra-violet cut-off, but physically meaningful regularized polaron energies are also presented. Moreover, we calculate the effective mass of polarons and find a smooth crossover from weak to strong coupling regimes. Possible experimental tests of our results in current experiments with ultra cold atoms are discussed. PMID:26183614

  15. Renormalization group approach to the Fröhlich polaron model: application to impurity-BEC problem.

    PubMed

    Grusdt, F; Shchadilova, Y E; Rubtsov, A N; Demler, E

    2015-07-17

    When a mobile impurity interacts with a many-body system, such as a phonon bath, a polaron is formed. Despite the importance of the polaron problem for a wide range of physical systems, a unified theoretical description valid for arbitrary coupling strengths is still lacking. Here we develop a renormalization group approach for analyzing a paradigmatic model of polarons, the so-called Fröhlich model, and apply it to a problem of impurity atoms immersed in a Bose-Einstein condensate of ultra cold atoms. Polaron energies obtained by our method are in excellent agreement with recent diagrammatic Monte Carlo calculations for a wide range of interaction strengths. They are found to be logarithmically divergent with the ultra-violet cut-off, but physically meaningful regularized polaron energies are also presented. Moreover, we calculate the effective mass of polarons and find a smooth crossover from weak to strong coupling regimes. Possible experimental tests of our results in current experiments with ultra cold atoms are discussed.

  16. Open timelike curves violate Heisenberg's uncertainty principle.

    PubMed

    Pienaar, J L; Ralph, T C; Myers, C R

    2013-02-01

    Toy models for quantum evolution in the presence of closed timelike curves have gained attention in the recent literature due to the strange effects they predict. The circuits that give rise to these effects appear quite abstract and contrived, as they require nontrivial interactions between the future and past that lead to infinitely recursive equations. We consider the special case in which there is no interaction inside the closed timelike curve, referred to as an open timelike curve (OTC), for which the only local effect is to increase the time elapsed by a clock carried by the system. Remarkably, circuits with access to OTCs are shown to violate Heisenberg's uncertainty principle, allowing perfect state discrimination and perfect cloning of coherent states. The model is extended to wave packets and smoothly recovers standard quantum mechanics in an appropriate physical limit. The analogy with general relativistic time dilation suggests that OTCs provide a novel alternative to existing proposals for the behavior of quantum systems under gravity.

  17. Theoretical investigation of impurity scattering limited mobility in quantum wells: The influence of wave-function modeling

    NASA Astrophysics Data System (ADS)

    Thobel, J. L.; Baudry, L.; Dessenne, F.; Charef, M.; Fauquembergue, R.

    1993-01-01

    A theoretical investigation of the impurity scattering limited mobility in quantum wells is presented. Emphasis is put on the influence of wave-function modeling, since the literature about this topic is contradictory. For an infinite square well, Dirac and sine wave functions yield the same evolutions of the mobility with temperature, carrier density, and well width. These results contradict those published by Lee [J. Appl. Phys. 54, 6995 (1983)], which are shown to be wrong. Self-consistent wave functions have also been used to compute the mobility in finite barrier height quantum wells. A strong influence of the presence of electrons inside the doped barrier has been demonstrated. It is suggested that, although simple models are useful for qualitative discussions, accurate evaluation of mobility requires a reasonably realistic description of wave functions.

  18. Nonlinear phonon interferometry at the Heisenberg limit

    NASA Astrophysics Data System (ADS)

    Cheung, Hil F. H.; Patil, Yogesh Sharad; Chang, Laura; Chakram, Srivatsan; Vengalattore, Mukund

    2016-05-01

    Interferometers operating at or close to quantum limits of precision have found wide application in tabletop searches for physics beyond the standard model, the study of fundamental forces and symmetries of nature and foundational tests of quantum mechanics. The limits imposed by quantum fluctuations and measurement backaction on conventional interferometers (δϕ 1 /√{ N}) have spurred the development of schemes to circumvent these limits through quantum interference, multiparticle interactions and entanglement. Here, we realize a prominent example of such schemes, the so-called SU(1,1) interferometer, in a fundamentally new platform in which the interfering arms are distinct flexural modes of a millimeter-scale mechanical resonator. We realize up to 15.4(3) dB of noise squeezing and demonstrate the Heisenberg scaling of interferometric sensitivity (δϕ 1 / N), corresponding to a 6-fold improvement in measurement precision over a conventional interferometer. We describe how our work extends the optomechanical toolbox and how it presents new avenues for studies of optomechanical sensing and studies of nonequilibrium dynamics of multimode optomechanical systems. This work was supported by the DARPA QuASAR program through a grant from the ARO, the ARO MURI on non-equilibrium manybody dynamics and an NSF INSPIRE award.

  19. Impurity-induced magnetic moments on the graphene-lattice Hubbard model: An inhomogeneous cluster dynamical mean-field theory study

    NASA Astrophysics Data System (ADS)

    Charlebois, M.; Sénéchal, D.; Gagnon, A.-M.; Tremblay, A.-M. S.

    2015-01-01

    Defect-induced magnetic moments are at the center of the research effort on spintronic applications of graphene. Here, we study the problem of a nonmagnetic impurity in graphene with a new theoretical method, inhomogeneous cluster dynamical mean-field theory (I-CDMFT), which takes into account interaction-induced short-range correlations while allowing long-range inhomogeneities. The system is described by a Hubbard model on the honeycomb lattice. The impurity is modeled by a local potential. For a large enough potential, interactions induce local antiferromagnetic correlations around the impurity and a net total spin 1/2 appears, in agreement with Lieb's theorem. Bound states caused by the impurity are visible in the local density of states (LDOS) and have their energies shifted by interactions in a spin-dependent way, leading to the antiferromagnetic correlations. Our results take into account dynamical correlations; nevertheless they qualitatively agree with previous mean-field and density functional theory (DFT) studies. Moreover, they provide a relation between impurity potential and on-site repulsion U that could in principle be used to determine experimentally the value of U .

  20. Finite-temperature scaling of spin correlations in a partially magnetized Heisenberg S =1/2 chain

    NASA Astrophysics Data System (ADS)

    Hälg, M.; Hüvonen, D.; Butch, N. P.; Demmel, F.; Zheludev, A.

    2015-09-01

    Inelastic neutron scattering is employed to study transverse spin correlations of a Heisenberg S =1 /2 chain compound in a magnetic field of 7.5 T. The target compound is the antiferromagnetic Heisenberg S =1 /2 chain material 2(1,4-dioxane).2 (H2O ).CuCl2, or CuDCl for short. The validity and the limitations of the scaling relation for the transverse dynamic structure factor are tested, discussed, and compared to the Tomonaga-Luttinger spin liquid theory and to Bethe-ansatz results for the Heisenberg model.

  1. Partition functions of classical Heisenberg spin chains with arbitrary and different exchange

    NASA Astrophysics Data System (ADS)

    Cregg, P. J.; García-Palacios, J. L.; Svedlindh, P.

    2008-10-01

    The classical Heisenberg model has been effective in modelling exchange interactions in molecular magnets. In this model, the partition function is important as it allows the calculation of the magnetization and susceptibility. For an ensemble of N-spin sites, this typically involves integrals in 2N dimensions. Here, for two-, three- and four-spin nearest neighbour open linear Heisenberg chains these integrals are reduced to sums of known functions, using a result due to Gegenbauer. For the case of the three- and four-spin chains, the sums are equivalent in form to the results of Joyce. The general result for an N-spin chain is also obtained.

  2. Quantum correlations and coherence in spin-1 Heisenberg chains

    NASA Astrophysics Data System (ADS)

    Malvezzi, A. L.; Karpat, G.; ćakmak, B.; Fanchini, F. F.; Debarba, T.; Vianna, R. O.

    2016-05-01

    We explore quantum and classical correlations along with coherence in the ground states of spin-1 Heisenberg chains, namely the one-dimensional XXZ model and the one-dimensional bilinear biquadratic model, with the techniques of density matrix renormalization group theory. Exploiting the tools of quantum information theory, that is, by studying quantum discord, quantum mutual information, and three recently introduced coherence measures in the reduced density matrix of two nearest neighbor spins in the bulk, we investigate the quantum phase transitions and special symmetry points in these models. We point out the relative strengths and weaknesses of correlation and coherence measures as figures of merit to witness the quantum phase transitions and symmetry points in the considered spin-1 Heisenberg chains. In particular, we demonstrate that, as none of the studied measures can detect the infinite-order Kosterlitz-Thouless transition in the XXZ model, they appear to be able to signal the existence of the same type of transition in the biliear biquadratic model. However, we argue that what is actually detected by the measures here is the SU(3) symmetry point of the model rather than the infinite-order quantum phase transition. Moreover, we show in the XXZ model that examining even single site coherence can be sufficient to spotlight the second-order phase transition and the SU(2) symmetry point.

  3. Integrable hierarchies of Heisenberg ferromagnet equation

    NASA Astrophysics Data System (ADS)

    Nugmanova, G.; Azimkhanova, A.

    2016-08-01

    In this paper we consider the coupled Kadomtsev-Petviashvili system. From compatibility conditions we obtain the form of matrix operators. After using a gauge transformation, obtained a new type of Lax representation for the hierarchy of Heisenberg ferromagnet equation, which is equivalent to the gauge coupled Kadomtsev-Petviashvili system.

  4. Heisenberg: Paralleling Scientific and Historical Methods

    NASA Astrophysics Data System (ADS)

    Cofield, Calla

    2007-04-01

    Werner Heisenberg is an important historical subject within the physics community partly because his actions as a human being are discussed nearly as often as his work as a physicist. But does the scientific community establish it's historical ideas with the same methods and standards as it's scientific conclusions? I interviewed Heisenberg's son, Jochen Heisenberg, a professor of physics at UNH. Despite a great amount of literature on Werner Heisenberg, only one historian has interviewed Jochen about his father and few have interviewed Werner's wife. Nature is mysterious and unpredictable, but it doesn't lie or distort like humans, and we believe it can give ``honest'' results. But are we keeping the same standards with history that we do with science? Are we holding historians to these standards and if not, is it up to scientists to not only be keepers of scientific understanding, but historical understanding as well? Shouldn't we record history by using the scientific method, by weighing the best sources of data differently than the less reliable, and are we right to be as stubborn about changing our views on history as we are about changing our views on nature?

  5. Naturalistic Misunderstanding of the Heisenberg Uncertainty Principle.

    ERIC Educational Resources Information Center

    McKerrow, K. Kelly; McKerrow, Joan E.

    1991-01-01

    The Heisenberg Uncertainty Principle, which concerns the effect of observation upon what is observed, is proper to the field of quantum physics, but has been mistakenly adopted and wrongly applied in the realm of naturalistic observation. Discusses the misuse of the principle in the current literature on naturalistic research. (DM)

  6. Experimental violation and reformulation of the Heisenberg's error-disturbance uncertainty relation

    PubMed Central

    Baek, So-Young; Kaneda, Fumihiro; Ozawa, Masanao; Edamatsu, Keiichi

    2013-01-01

    The uncertainty principle formulated by Heisenberg in 1927 describes a trade-off between the error of a measurement of one observable and the disturbance caused on another complementary observable such that their product should be no less than the limit set by Planck's constant. However, Ozawa in 1988 showed a model of position measurement that breaks Heisenberg's relation and in 2003 revealed an alternative relation for error and disturbance to be proven universally valid. Here, we report an experimental test of Ozawa's relation for a single-photon polarization qubit, exploiting a more general class of quantum measurements than the class of projective measurements. The test is carried out by linear optical devices and realizes an indirect measurement model that breaks Heisenberg's relation throughout the range of our experimental parameter and yet validates Ozawa's relation. PMID:23860715

  7. The GOddard SnoW Impurity Module (GOSWIM) for the NASA GEOS-5 Earth System Model: Preliminary Comparisons with Observations in Sapporo, Japan

    NASA Technical Reports Server (NTRS)

    Yasunari, Teppei J.; Lau, K.-M.; Mahanama, Sarith P. P.; Colarco, Peter R.; daSilva, Arlindo M.; Aoki, Teruo; Aoki, Kazuma; Murao, Naoto; Yamagata, Sadamu; Kodama, Yuji

    2014-01-01

    The snow darkening module evaluating dust, black carbon, and organic carbon depositions on mass and albedo has been developed for the NASA Goddard Earth Observing System, Version 5 (GEOS-5) Earth System Model, as the GOddard SnoW Impurity Module (GOSWIM). GOSWIM consists of the snow albedo scheme from a previous study (Yasunari et al. 2011) with updates and a newly developed mass concentration scheme, using aerosol depositions from the chemical transport model (GOCART) in GEOS-5. Compared to observations at Sapporo, the numerical experiments, forced by observation-based meteorology and aerosol depositions from GOES-5, better simulated the seasonal migration of snow depth, albedos, and impurities of dust, BC, and OC in the snow surface. However, the magnitude of the impurities is underestimated, compared to the sporadic snow impurity measurements. Increasing the deposition rates of dust and BC could explain the differences on the snow darkening effect between observation and simulation. Ignoring BC deposition can possibly lead to an extension of snow cover duration in Sapporo for four days. Comparing the off-line GOSWIM and the GEOS-5 global simulations, we found that determining better local precipitation and deposition rates of the aerosols are key factors in generating better GOSWIM snow darkening simulation in NASA GEOS-5.

  8. The Role of Logic and Mathematics in the Heisenberg Formulation of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Venezia, Antonio

    2006-06-01

    In this paper, by means of a logical and linguistic analysis of Heisenberg's work, the properties of a logical model suitable for quantum mechanics are obtained. This model is an alternative to traditional quantum logic, because it uses an intuitionist negation. It is able to justify the passage from the problem of conjugate variables measurement to the mathematical formalization (commutation rules) of matrix mechanics.

  9. Spin-Ice State of the Quantum Heisenberg Antiferromagnet on the Pyrochlore Lattice.

    PubMed

    Huang, Yuan; Chen, Kun; Deng, Youjin; Prokof'ev, Nikolay; Svistunov, Boris

    2016-04-29

    We study the low-temperature physics of the SU(2)-symmetric spin-1/2 Heisenberg antiferromagnet on a pyrochlore lattice and find "fingerprint" evidence for the thermal spin-ice state in this frustrated quantum magnet. Our conclusions are based on the results of bold diagrammatic Monte Carlo simulations, with good convergence of the skeleton series down to the temperature T/J=1/6. The identification of the spin-ice state is done through a remarkably accurate microscopic correspondence for the static structure factor between the quantum Heisenberg, classical Heisenberg, and Ising models at all accessible temperatures, and the characteristic bowtie pattern with pinch points observed at T/J=1/6. The dynamic structure factor at real frequencies (obtained by the analytic continuation of numerical data) is consistent with diffusive spinon dynamics at the pinch points. PMID:27176537

  10. Low-temperature Spin-Ice State of Quantum Heisenberg Magnets on Pyrochlore Lattice

    NASA Astrophysics Data System (ADS)

    Huang, Yuan; Chen, Kun; Deng, Youjin; Prokof'ev, Nikolay; Svistunov, Boris

    We establish that the isotropic spin-1/2 Heisenberg antiferromagnet on pyrochlore lattice enters a spin-ice state at low, but finite, temperature. Our conclusions are based on results of the bold diagrammatic Monte Carlo simulations that demonstrate good convergence of the skeleton series down to temperature T = J/6. The ``smoking gun'' identification of the spin-ice state is done through a remarkably accurate microscopic correspondence for static spin-spin correlation function between the quantum Heisenberg and classical Heisenberg/Ising models at all accessible temperatures. In particular, at T/J = 1/6, the momentum dependence shows a characteristic bow-tie pattern with pinch points. By numerical analytical continuation method, we also obtain the dynamic structure factor at real frequencies, showing a diffusive spinon dynamics at pinch points and spin wave continuum along the nodal lines.?

  11. Spin-Ice State of the Quantum Heisenberg Antiferromagnet on the Pyrochlore Lattice

    NASA Astrophysics Data System (ADS)

    Huang, Yuan; Chen, Kun; Deng, Youjin; Prokof'ev, Nikolay; Svistunov, Boris

    2016-04-01

    We study the low-temperature physics of the SU(2)-symmetric spin-1 /2 Heisenberg antiferromagnet on a pyrochlore lattice and find "fingerprint" evidence for the thermal spin-ice state in this frustrated quantum magnet. Our conclusions are based on the results of bold diagrammatic Monte Carlo simulations, with good convergence of the skeleton series down to the temperature T /J =1 /6 . The identification of the spin-ice state is done through a remarkably accurate microscopic correspondence for the static structure factor between the quantum Heisenberg, classical Heisenberg, and Ising models at all accessible temperatures, and the characteristic bowtie pattern with pinch points observed at T /J =1 /6 . The dynamic structure factor at real frequencies (obtained by the analytic continuation of numerical data) is consistent with diffusive spinon dynamics at the pinch points.

  12. Impurity-induced divertor plasma oscillations

    NASA Astrophysics Data System (ADS)

    Smirnov, R. D.; Kukushkin, A. S.; Krasheninnikov, S. I.; Pigarov, A. Yu.; Rognlien, T. D.

    2016-01-01

    Two different oscillatory plasma regimes induced by seeding the plasma with high- and low-Z impurities are found for ITER-like divertor plasmas, using computer modeling with the DUSTT/UEDGE and SOLPS4.3 plasma-impurity transport codes. The oscillations are characterized by significant variations of the impurity-radiated power and of the peak heat load on the divertor targets. Qualitative analysis of the divertor plasma oscillations reveals different mechanisms driving the oscillations in the cases of high- and low-Z impurity seeding. The oscillations caused by the high-Z impurities are excited near the X-point by an impurity-related instability of the radiation-condensation type, accompanied by parallel impurity ion transport affected by the thermal and plasma friction forces. The driving mechanism of the oscillations induced by the low-Z impurities is related to the cross-field transport of the impurity atoms, causing alteration between the high and low plasma temperature regimes in the plasma recycling region near the divertor targets. The implications of the impurity-induced plasma oscillations for divertor operation in the next generation tokamaks are also discussed.

  13. Impurity-induced divertor plasma oscillations

    DOE PAGESBeta

    Smirnov, R. D.; Kukushkin, A. S.; Krasheninnikov, S. I.; Pigarov, A. Yu.; Rognlien, T. D.

    2016-01-07

    Two different oscillatory plasma regimes induced by seeding the plasma with high- and low-Z impurities are found for ITER-like divertor plasmas, using computer modeling with the DUSTT/UEDGE and SOLPS4.3 plasma-impurity transport codes. The oscillations are characterized by significant variations of the impurity-radiated power and of the peak heat load on the divertor targets. Qualitative analysis of the divertor plasma oscillations reveals different mechanisms driving the oscillations in the cases of high- and low-Z impurity seeding. The oscillations caused by the high-Z impurities are excited near the X-point by an impurity-related instability of the radiation-condensation type, accompanied by parallel impurity ionmore » transport affected by the thermal and plasma friction forces. The driving mechanism of the oscillations induced by the low-Z impurities is related to the cross-field transport of the impurity atoms, causing alteration between the high and low plasma temperature regimes in the plasma recycling region near the divertor targets. As a result, the implications of the impurity-induced plasma oscillations for divertor operation in the next generation tokamaks are also discussed.« less

  14. Preliminary Modelling of the Effect of Impurity in CO2 Streams on the Storage Capacity and the Plume Migration in Pohang Basin, Korea

    NASA Astrophysics Data System (ADS)

    Park, Yongchan; Choi, Byoungyoung; Shinn, Youngjae

    2015-04-01

    Captured CO2 streams contain various levels of impurities which vary depending on the combustion technology and CO2 sources such as a power plant and iron and steel production processes. Common impurities or contaminants are non-condensable gases like nitrogen, oxygen and hydrogen, and are also air pollutants like sulphur and nitrogen oxides. Specifically for geological storage, the non-condensable gases in CO2 streams are not favourable because they can decrease density of the injected CO2 stream and can affect buoyancy of the plume. However, separation of these impurities to obtain the CO2 purity higher than 99% would greatly increase the cost of capture. In 2010, the Korean Government announced a national framework to develop CCS, with the aim of developing two large scale integrated CCS projects by 2020. In order to achieve this goal, a small scale injection project into Pohang basin near shoreline has begun which is seeking the connection with a capture project, especially at a steel company. Any onshore sites that are suitable for the geological storage are not identified by this time so we turned to the shallow offshore Pohang basin where is close to a large-scale CO2 source. Currently, detailed site surveys are being undertaken and the collected data were used to establish a geological model of the basin. In this study, we performed preliminary modelling study on the effect of impurities on the geological storage using the geological model. Using a potential compositions of impurities in CO2 streams from the steel company, we firstly calculated density and viscosity of CO2 streams as a function of various pressure and temperature conditions with CMG-WINPROP and then investigated the effect of the non-condensable gases on storage capacity, injectivity and plume migrations with CMG-GEM. Further simulations to evaluate the areal and vertical sweep efficiencies by impurities were perform in a 2D vertical cross section as well as in a 3D simulation grid. Also

  15. Emergent Power-Law Phase in the 2D Heisenberg Windmill Antiferromagnet: A Computational Experiment

    NASA Astrophysics Data System (ADS)

    Jeevanesan, Bhilahari; Chandra, Premala; Coleman, Piers; Orth, Peter P.

    2015-10-01

    In an extensive computational experiment, we test Polyakov's conjecture that under certain circumstances an isotropic Heisenberg model can develop algebraic spin correlations. We demonstrate the emergence of a multispin U(1) order parameter in a Heisenberg antiferromagnet on interpenetrating honeycomb and triangular lattices. The correlations of this relative phase angle are observed to decay algebraically at intermediate temperatures in an extended critical phase. Using finite-size scaling we show that both phase transitions are of the Berezinskii-Kosterlitz-Thouless type, and at lower temperatures we find long-range Z6 order.

  16. Emergent Power-Law Phase in the 2D Heisenberg Windmill Antiferromagnet: A Computational Experiment.

    PubMed

    Jeevanesan, Bhilahari; Chandra, Premala; Coleman, Piers; Orth, Peter P

    2015-10-23

    In an extensive computational experiment, we test Polyakov's conjecture that under certain circumstances an isotropic Heisenberg model can develop algebraic spin correlations. We demonstrate the emergence of a multispin U(1) order parameter in a Heisenberg antiferromagnet on interpenetrating honeycomb and triangular lattices. The correlations of this relative phase angle are observed to decay algebraically at intermediate temperatures in an extended critical phase. Using finite-size scaling we show that both phase transitions are of the Berezinskii-Kosterlitz-Thouless type, and at lower temperatures we find long-range Z(6) order.

  17. Stabilization of Long-Range Order by Additional Anisotropic Spins in Two-Dimensional Isotropic Heisenberg Antiferromagnets —A Possible Model of an Organic Compound with Magnetic Anions—

    NASA Astrophysics Data System (ADS)

    Shimahara, Hiroshi; Ito, Kazuhiro

    2014-11-01

    We examine a two-dimensional (2D) coupled antiferromagnetic (AF) Heisenberg model that consists of two subsystems: an isotropic S = 1/2 spin subsystem with strong AF exchange interactions (main system), and a uniaxial S = 5/2 spin subsystem with weak exchange interactions. This model is an example in which additional semiclassical degrees of freedom affect a quantum system; it also describes a possible stabilization mechanism of AF long-range order (LRO) in the 2D organic compound λ-(BETS)2FeCl4, where BETS stands for bis(ethylenedithio)tetraselenafulvalene. Previous experimental studies have revealed that 3d spins on FeCl4 anions passively follow the AF LRO of the π-electron system in the BETS layers, although the AF LRO is stabilized by the 3d spins themselves. To explain this paradoxical behavior, we examine a scenario in which the uniaxial anisotropy of the 3d spins stabilizes the AF LRO on an isotropic 2D π-spin system. We extend Green's function theory, called the Tyablikov approximation, to the present system, which describes spin-wave excitations and is consistent with the Mermin-Wagner theorem. It is shown that even extremely weak interactions with the uniaxial subsystem efficiently stabilize the AF LRO in the main system, even in the absence of AF exchange interactions in the uniaxial subsystem. The AF LRO is triggered by the uniaxial subsystem, but the sublattice magnetization remains smaller than that of the main system in the high-temperature region. These results are consistent with experimental data for λ-(BETS)2FeCl4 and λ-(BETS)2GaCl4; the latter does not have the 3d spins and does not exhibit the AF LRO.

  18. Double expansion with respect to U and 1 /(N - 1) for an SU(N) impurity Anderson model

    NASA Astrophysics Data System (ADS)

    Oguri, Akira; Awane, Miyuki

    2014-03-01

    We apply a new large- N scheme for an SU(N) impurity Anderson model to the Green's function for finite frequency ω and finite Coulomb interaction U. This approach is essentially different from the conventional large- N theories, such as the non-crossing approximation and its extensions which are based on a perturbation expansion in the hybridization strength V. Our expansion scheme, which uses 1 /(N - 1) and the scaled interaction u ≡(N - 1) U as a set of two independent variables, gives the Hartree-Fock (HF) results at zeroth order. Then, to leading order in 1 /(N - 1) it describes the Hartree-Fock random phase approximation (HF-RPA). The higher-order corrections systematically describe the fluctuations beyond the HF-RPA. It was shown that the renormalized local-Fermi-liquid parameters, calculated up to order 1 /(N - 1) 2 , agree closely with the exact NRG results at N = 4 where the degeneracy is still not so large. We discuss the ω dependence of the Green's function to clarify both the low- and high-energy features.

  19. Chirality operators for Heisenberg spin systems

    SciTech Connect

    Subrahmanyam, V. )

    1994-09-01

    The ground state of closed Heisenberg spin chains with an odd number of sites has a chiral degeneracy, in addition to a twofold Kramers degeneracy. A nonzero chirality implies that the spins are not coplanar, and is a measure of handedness. The chirality operator, which can be treated as a spin-1/2 operator, is explicitly constructed in terms of the spin operators, and is given as commutator of permutation operators.

  20. Modeling the effect of deep impurity ionization on GaAs photoconductive switches

    SciTech Connect

    Yee, J.H.; Khanaka, G.H.; Druce, R.L.; Pocha, M.D.

    1992-01-01

    The ionization coefficient of deep traps in GaAs is determined from a gas breakdown model together with the recent experimental data obtained at LLNL (Lawrence Livermore National Laboratory) and Boeing. Using this coefficient in our nonlinear device transport code, we have investigated theoretically the nonlinear switching phenomena in GaAs devices. The results obtained from our investigations show that if we take into consideration the effect of the field ionization of the deep traps, we can show how the Lock-On'' phenomena could occur in the device.

  1. Interaction-induced localization of mobile impurities in ultracold systems

    PubMed Central

    Li, Jian; An, Jin; Ting, C. S.

    2013-01-01

    The impurities, introduced intentionally or accidentally into certain materials, can significantly modify their characteristics or reveal their intrinsic physical properties, and thus play an important role in solid-state physics. Different from those static impurities in a solid, the impurities realized in cold atomic systems are naturally mobile. Here we propose an effective theory for treating some unique behaviors exhibited by ultracold mobile impurities. Our theory reveals the interaction-induced transition between the extended and localized impurity states, and also explains the essential features obtained from several previous models in a unified way. Based on our theory, we predict many intriguing phenomena in ultracold systems associated with the extended and localized impurities, including the formation of the impurity-molecules and impurity-lattices. We hope this investigation can open up a new avenue for the future studies on ultracold mobile impurities. PMID:24192986

  2. Interaction-induced localization of mobile impurities in ultracold systems

    NASA Astrophysics Data System (ADS)

    Li, Jian; An, Jin; Ting, C. S.

    2013-11-01

    The impurities, introduced intentionally or accidentally into certain materials, can significantly modify their characteristics or reveal their intrinsic physical properties, and thus play an important role in solid-state physics. Different from those static impurities in a solid, the impurities realized in cold atomic systems are naturally mobile. Here we propose an effective theory for treating some unique behaviors exhibited by ultracold mobile impurities. Our theory reveals the interaction-induced transition between the extended and localized impurity states, and also explains the essential features obtained from several previous models in a unified way. Based on our theory, we predict many intriguing phenomena in ultracold systems associated with the extended and localized impurities, including the formation of the impurity-molecules and impurity-lattices. We hope this investigation can open up a new avenue for the future studies on ultracold mobile impurities.

  3. Endohedral impurities in carbon nanotubes.

    PubMed

    Clougherty, Dennis P

    2003-01-24

    A generalization of the Anderson model that includes pseudo-Jahn-Teller impurity coupling is proposed to describe distortions of an endohedral impurity in a carbon nanotube. Within mean-field theory, spontaneous axial symmetry breaking is found when the vibronic coupling strength g exceeds a critical value. The effective potential is found to have O(2) symmetry, in agreement with numerical calculations. For metallic zigzag nanotubes endohedrally doped with transition metals in the dilute limit, the low-energy properties of the system may display two-channel Kondo behavior; however, strong vibronic coupling is seen to exponentially suppress the Kondo energy scale. PMID:12570507

  4. Endohedral Impurities in Carbon Nanotubes

    NASA Astrophysics Data System (ADS)

    Clougherty, Dennis

    2003-03-01

    A generalization of the Anderson model that includes pseudo-Jahn-Teller impurity coupling is proposed to describe distortions of an endohedral impurity in a carbon nanotube. Treating the distortion within mean-field theory, spontaneous axial symmetry breaking is found when the vibronic coupling strength g exceeds a critical value g_c. The effective potential in the symmetry-broken state is found to have O(2) symmetry, in agreement with numerical calculations. The consequences of such a distortion on electronic transport will be discussed.

  5. Endohedral Impurities in Carbon Nanotubes

    NASA Astrophysics Data System (ADS)

    Clougherty, Dennis P.

    2003-01-01

    A generalization of the Anderson model that includes pseudo-Jahn-Teller impurity coupling is proposed to describe distortions of an endohedral impurity in a carbon nanotube. Within mean-field theory, spontaneous axial symmetry breaking is found when the vibronic coupling strength g exceeds a critical value. The effective potential is found to have O(2) symmetry, in agreement with numerical calculations. For metallic zigzag nanotubes endohedrally doped with transition metals in the dilute limit, the low-energy properties of the system may display two-channel Kondo behavior; however, strong vibronic coupling is seen to exponentially suppress the Kondo energy scale.

  6. Local Spin Relaxation within the Random Heisenberg Chain

    NASA Astrophysics Data System (ADS)

    Herbrych, J.; Kokalj, J.; Prelovšek, P.

    2013-10-01

    Finite-temperature local dynamical spin correlations Snn(ω) are studied numerically within the random spin-1/2 antiferromagnetic Heisenberg chain. The aim is to explain measured NMR spin-lattice relaxation times in BaCu2(Si0.5Ge0.5)2O7, which is the realization of a random spin chain. In agreement with experiments we find that the distribution of relaxation times within the model shows a very large span similar to the stretched-exponential form. The distribution is strongly reduced with increasing T, but stays finite also in the high-T limit. Anomalous dynamical correlations can be associated with the random singlet concept but not directly with static quantities. Our results also reveal the crucial role of the spin anisotropy (interaction), since the behavior is in contrast with the ones for the XX model, where we do not find any significant T dependence of the distribution.

  7. Correlation length of the isotropic quantum Heisenberg antiferromagnet

    SciTech Connect

    Cuccoli, A.; Tognetti, V.; Vaia, R.

    1997-04-01

    The quantum Heisenberg antiferromagnet on the square lattice is known to model the magnetic interactions in the copper ion planes of many high-{ital T{sub c}} superconductors and their parent compounds. The thermodynamics of the model is approached by the {ital pure-quantum self-consistent harmonic approximation}, that reduces the quantum problem to the study of an effective classical antiferromagnetic system. The effective exchange, weakened by quantum fluctuations, enters as a temperature scale the classical-like expressions for the thermal averages, and the quantum spin correlation length is then obtained from its classical counterpart in a simple way. The theory compares very well, for any value of the spin and without need for adjustable parameters, with high temperature expansions, quantum Monte Carlo simulations, and recent neutron and nuclear quadrupole relaxation (NQR) experiments. {copyright} {ital 1997 American Institute of Physics.}

  8. Frustrated 3×3 Heisenberg antiferromagnets

    NASA Astrophysics Data System (ADS)

    Moustanis, P. N.

    2016-08-01

    The full energy spectrum and the exact thermodynamic results of the antiferromagnetic Heisenberg Hamiltonian of the 3×3 triangular and the frustrated square lattice with periodic boundary conditions and s=1/2 are obtained. To this end the method of hierarchy of algebras is employed. It was found that the ground state of the 3×3 frustrated square lattice is a Resonating Valence Bond (RVB) state. Thermodynamic properties, like the specific heat, magnetic susceptibility, the thermal average of the square of the total Sz and entropy, for these two lattices are presented.

  9. Heisenberg scaling in Gaussian quantum metrology

    NASA Astrophysics Data System (ADS)

    Friis, Nicolai; Skotiniotis, Michalis; Fuentes, Ivette; Dür, Wolfgang

    2015-08-01

    We address the issue of precisely estimating small parameters encoded in a general linear transformation of the modes of a bosonic quantum field. Such Bogoliubov transformations frequently appear in the context of quantum optics. We provide a set of instructions for computing the quantum Fisher information for arbitrary pure initial states. We show that the maximally achievable precision of estimation is inversely proportional to the squared average particle number and that such Heisenberg scaling requires nonclassical but not necessarily entangled states. Our method further allows us to quantify losses in precision arising from being able to monitor only finitely many modes, for which we identify a lower bound.

  10. Thermodynamic properties of Heisenberg magnetic systems

    NASA Astrophysics Data System (ADS)

    Qin, Wei; Wang, Huai-Yu; Long, Gui-Lu

    2014-03-01

    In this paper, we present a comprehensive investigation of the effects of the transverse correlation function (TCF) on the thermodynamic properties of Heisenberg antiferromagnetic (AFM) and ferromagnetic (FM) systems with cubic lattices. The TCF of an FM system is positive and increases with temperature, while that of an AFM system is negative and decreases with temperature. The TCF lowers internal energy, entropy and specific heat. It always raises the free energy of an FM system but raises that of an AFM system only above a specific temperature when the spin quantum number is S >= 1. Comparisons between the effects of the TCFs on the FM and AFM systems are made where possible.

  11. Heisenberg groups and noncommutative fluxes

    SciTech Connect

    Freed, Daniel S. . E-mail: dafr@math.utexas.edu; Moore, Gregory W.; Segal, Graeme

    2007-01-15

    We develop a group-theoretical approach to the formulation of generalized abelian gauge theories, such as those appearing in string theory and M-theory. We explore several applications of this approach. First, we show that there is an uncertainty relation which obstructs simultaneous measurement of electric and magnetic flux when torsion fluxes are included. Next, we show how to define the Hilbert space of a self-dual field. The Hilbert space is Z{sub 2}-graded and we show that, in general, self-dual theories (including the RR fields of string theory) have fermionic sectors. We indicate how rational conformal field theories associated to the two-dimensional Gaussian model generalize to (4k+2)-dimensional conformal field theories. When our ideas are applied to the RR fields of string theory we learn that it is impossible to measure the K-theory class of a RR field. Only the reduction modulo torsion can be measured.

  12. q-bosons and the Lie-deformed Heisenberg algebra

    NASA Astrophysics Data System (ADS)

    Pan, Hui-yun; Zhao, Zu Sen

    1998-02-01

    It is shown that the non-Hermitian realization of a Lie-deformed Heisenberg algebra given by Jannussis et al. is closely related with the q-Heisenberg-Weyl algebra of Biedenharn and Macfarlane with q being a phase ( q = eiθ, with θ real). The physical implications of this result are stressed.

  13. Science 101: What, Exactly, Is the Heisenberg Uncertainty Principle?

    ERIC Educational Resources Information Center

    Robertson, Bill

    2016-01-01

    Bill Robertson is the author of the NSTA Press book series, "Stop Faking It! Finally Understanding Science So You Can Teach It." In this month's issue, Robertson describes and explains the Heisenberg Uncertainty Principle. The Heisenberg Uncertainty Principle was discussed on "The Big Bang Theory," the lead character in…

  14. Impurity transport in Tokamaks

    NASA Astrophysics Data System (ADS)

    Amano, T.

    1983-12-01

    Theoretical and experimental efforts directed towards gaining an understanding of impurity behavior in Tokamaks are reviewed. In the Alcator Tokamak experiments, a laser blow-off technique was used to introduce trace amounts of impurities into ohmically heated plasmas. After a series of experiments in which they injected Si, Al, Fe, Mo impurities, an equation representing empirical impurity confinement time was derived. The scaling of this equation was compared with the results of impurity injection experiments on other Tokamaks, FT-I, PDX, TFR, ISX-B. Impurity confinement times in all these cases agree remarkably well, except for the TFR confinement times, which were about a factor of two larger than predicted. In the presence of intense neutral beam injection impurity ions behave differently. Specifically, in the ISX-B experiments, a marked accumulation of impurity ions toward the center of the plasma was observed in the case of counter neutral beam injection. This was interpreted semi-quantitatively by the neoclassical effect of the rotation of the plasma driven by the neutral beam.

  15. Thermal entanglement and sharp specific-heat peak in an exactly solved spin-1/2 Ising-Heisenberg ladder with alternating Ising and Heisenberg inter-leg couplings

    NASA Astrophysics Data System (ADS)

    Rojas, Onofre; Strečka, J.; de Souza, S. M.

    2016-11-01

    The spin-1/2 Ising-Heisenberg two-leg ladder accounting for alternating Ising and Heisenberg inter-leg couplings in addition to the Ising intra-leg coupling is rigorously mapped onto to a mixed spin-(3/2,1/2) Ising-Heisenberg diamond chain with the nodal Ising spins S = 3 / 2 and the interstitial spin-1/2 Heisenberg dimers. The latter effective model with higher-order interactions between the nodal and interstitial spins is subsequently exactly solved within the transfer-matrix method. The model under investigation exhibits five different ground states: ferromagnetic, antiferromagnetic, superantiferromagnetic and two types of frustrated ground states with a non-zero residual entropy. A detailed study of thermodynamic properties reveals an anomalous specific-heat peak at low enough temperatures, which is strongly reminiscent because of its extraordinary height and sharpness to an anomaly accompanying a phase transition. It is convincingly evidenced, however, that the anomalous peak in the specific heat is finite and it comes from vigorous thermal excitations from a two-fold degenerate ground state towards a macroscopically degenerate excited state. Thermal entanglement between the nearest-neighbor Heisenberg spins is also comprehensively explored by taking advantage of the concurrence. The threshold temperature delimiting a boundary between the entangled and disentangled parameter space may show presence of a peculiar temperature reentrance.

  16. The elusive Heisenberg limit in quantum-enhanced metrology.

    PubMed

    Demkowicz-Dobrzański, Rafał; Kołodyński, Jan; Guţă, Mădălin

    2012-01-01

    Quantum precision enhancement is of fundamental importance for the development of advanced metrological optical experiments, such as gravitational wave detection and frequency calibration with atomic clocks. Precision in these experiments is strongly limited by the 1/√N shot noise factor with N being the number of probes (photons, atoms) employed in the experiment. Quantum theory provides tools to overcome the bound by using entangled probes. In an idealized scenario this gives rise to the Heisenberg scaling of precision 1/N. Here we show that when decoherence is taken into account, the maximal possible quantum enhancement in the asymptotic limit of infinite N amounts generically to a constant factor rather than quadratic improvement. We provide efficient and intuitive tools for deriving the bounds based on the geometry of quantum channels and semi-definite programming. We apply these tools to derive bounds for models of decoherence relevant for metrological applications including: depolarization, dephasing, spontaneous emission and photon loss. PMID:22990859

  17. Low-temperature magnetic measurements of an [ital S]=1 linear-chain Heisenberg antiferromagnet

    SciTech Connect

    Avenel, O.; Xu, J.; Xia, J.S.; Xu, M.; Andraka, B.; Lang, T.; Moyland, P.L.; Ni, W.; Signore, P.J.C.; van Woerkens, C.M.C.M.; Adams, E.D.; Ihas, G.G.; Meisel, M.W.; Nagler, S.E.; Sullivan, N.S.; Takano, Y. ); Talham, D.R. ); Goto, T. ); Fujiwara, N. )

    1992-10-01

    The temperature-dependent magnetic susceptibility, [chi]([ital T]), of two pure samples of the [ital S]=1 linear-chain Heisenberg antiferromagnet Ni(C[sub 2]H[sub 8]N[sub 2])[sub 2]NO[sub 2](ClO[sub 4]), commonly known as NENP, has been measured from approximately 300 K to 300 [mu]K. Our measurements of [chi]([ital T]) are in agreement with existing results of other researchers who worked above 1.2 K. Below 1.2 K, [chi]([ital T]) increases with decreasing temperature. The results suggest that the low-temperature increase of [chi]([ital T]) is not a consequence of a single source of paramagnetic impurities in the samples but may arise from [ital S]=1/2 end-chain interactions.

  18. Renormalization Group Approach to the X-Ray Absorption Problem and Application to the Vigman-Finkelshtein Model for Magnetic Impurities in Metals.

    NASA Astrophysics Data System (ADS)

    Nunes de Oliveira, Luiz

    The renormalization group techniques developed by Wilson for the Kondo problem are applied to three related problems: the absorption of x-rays by metals, the absorption of x-rays by impurities in metals, and the specific heat of dilute magnetic alloys. In the first problem considered, the x-ray absorption problem, the metal is represented by a half-filled conduction band and a deep level representing a core state. The absorption of an x-ray photon excites an electron from this core level to the conduction band creating a core hole whose positive charge interacts with the conduction electrons. The absorption spectrum is, for the first time, calculated in the energy range 10('-10)D < (omega)-(omega)(,T) < D, where (omega) and (omega)(,T) are the x-ray and threshold frequencies, respectively, and D is the conduction bandwidth. For (omega)-(omega)(,T) < 10('-9)D, the absorption spectrum (mu)((omega)) is described by a power law (mu)(,o) {((omega) -(omega)(,T))/D}('-(alpha)) whose exponent (alpha) agrees with that of the Nozieres-De Dominicis asymptotic (i.e., valid in the limit (omega) (--->) (omega)(,T)) expression to seven decimal places; the prefactor (mu)(,o) is calculated for the first time. For (omega)-(omega)(,T) (TURNEQ) D, remarkably small deviations (e.g., deviations of 15% for (omega)-(omega)(,T) = .3D) from the Nozieres-De Dominicis power law are found. As a second application of the renormalization group techniques, the x-ray absorption spectrum for the resonant level model for impurities in metals is calculated. In this model, the metal is represented by a half-filled conduction band and the impurity by two levels: a core level from which an electron is excited to the conduction band by the absorption of an x-ray photon, and a resonant level, coupled to the conduction electrons, whose energy is lowered by the interaction with the core hole created by the absorption of the x-ray. In the x-ray absorption process, the resonant level is thus shifted to lower

  19. Heisenberg-Weyl Observables: Bloch vectors in phase space

    NASA Astrophysics Data System (ADS)

    Asadian, Ali; Erker, Paul; Huber, Marcus; Klöckl, Claude

    2016-07-01

    We introduce a Hermitian generalization of Pauli matrices to higher dimensions which is based on Heisenberg-Weyl operators. The complete set of Heisenberg-Weyl observables allows us to identify a real-valued Bloch vector for an arbitrary density operator in discrete phase space, with a smooth transition to infinite dimensions. Furthermore, we derive bounds on the sum of expectation values of any set of anticommuting observables. Such bounds can be used in entanglement detection and we show that Heisenberg-Weyl observables provide a first nontrivial example beyond the dichotomic case.

  20. Power Radiated from ITER and CIT by Impurities

    DOE R&D Accomplishments Database

    Cummings, J.; Cohen, S. A.; Hulse, R.; Post, D. E.; Redi, M. H.; Perkins, J.

    1990-07-01

    The MIST code has been used to model impurity radiation from the edge and core plasmas in ITER and CIT. A broad range of parameters have been varied, including Z{sub eff}, impurity species, impurity transport coefficients, and plasma temperature and density profiles, especially at the edge. For a set of these parameters representative of the baseline ITER ignition scenario, it is seen that impurity radiation, which is produced in roughly equal amounts by the edge and core regions, can make a major improvement in divertor operation without compromising core energy confinement. Scalings of impurity radiation with atomic number and machine size are also discussed.

  1. Impurities in Bose-Einstein Condensates: From Polaron to Soliton.

    PubMed

    Shadkhoo, Shahriar; Bruinsma, Robijn

    2015-09-25

    We propose that impurities in a Bose-Einstein condensate which is coupled to a transversely laser-pumped multimode cavity form an experimentally accessible and analytically tractable model system for the study of impurities solvated in correlated liquids and the breakdown of linear-response theory [corrected]. As the strength of the coupling constant between the impurity and the Bose-Einstein condensate is increased, which is possible through Feshbach resonance methods, the impurity passes from a large to a small polaron state, and then to an impurity-soliton state. This last transition marks the breakdown of linear-response theory.

  2. Power radiated from ITER and CIT by impurities

    SciTech Connect

    Cummings, J.; Cohen, S.A.; Hulse, R.; Post, D.E.; Redi, M.H.; Perkins, J.

    1990-07-01

    The MIST code has been used to model impurity radiation from the edge and core plasmas in ITER and CIT. A broad range of parameters have been varied, including Z{sub eff}, impurity species, impurity transport coefficients, and plasma temperature and density profiles, especially at the edge. For a set of these parameters representative of the baseline ITER ignition scenario, it is seen that impurity radiation, which is produced in roughly equal amounts by the edge and core regions, can make a major improvement in divertor operation without compromising core energy confinement. Scalings of impurity radiation with atomic number and machine size are also discussed. 22 refs., 16 figs.

  3. Ground states, magnetization plateaus and bipartite entanglement of frustrated spin-1/2 Ising-Heisenberg and Heisenberg triangular tubes

    NASA Astrophysics Data System (ADS)

    Alécio, Raphael C.; Lyra, Marcelo L.; Strečka, Jozef

    2016-11-01

    The ground-state phase diagram, magnetization process and bipartite entanglement of the frustrated spin-1/2 Ising-Heisenberg and Heisenberg triangular tube (three-leg ladder) are investigated in a non-zero external magnetic field. The exact ground-state phase diagram of the spin-1/2 Ising-Heisenberg tube with Heisenberg intra-rung and Ising inter-rung couplings consists of six distinct gapped phases, which manifest themselves in a magnetization curve as intermediate plateaus at zero, one-third and two-thirds of the saturation magnetization. Four out of six available ground states exhibit quantum entanglement between two spins from the same triangular unit evidenced by a non-zero concurrence. Density-matrix renormalization group calculations are used in order to construct the ground-state phase diagram of the analogous but purely quantum spin-1/2 Heisenberg tube with Heisenberg intra- and inter-rung couplings, which consists of four gapped and three gapless phases. The Heisenberg tube shows a continuous change of the magnetization instead of a plateau at zero magnetization, while the intermediate one-third and two-thirds plateaus may be present or not in the zero-temperature magnetization curve.

  4. High Field Magnetization Studies of Low Dimensional Heisenberg S = 1/2 Antiferromagnets

    NASA Astrophysics Data System (ADS)

    Landee, C. P.; Albrecht, A. S.; Turnbull, M. M.

    1997-03-01

    The magnetization curves of a number of new 2D S=1/2 Heisenberg antiferromagnets have been determined in fields up to 30 tesla at low temperatures at the National High Magnetic Fields Laboratory. Magnets studied include (2-amino-5-methylpyridinium)_2CuBr4 (2-amino-5-chloropyridinium)_2CuBr_4, and [Cu(pz)_2(NO_3)](PF_6), where pz = pyrazine. All of the magnetization curves show upward curvature, a previously unknown effect for this model system. The magnetization curves are qualitatively similar to the theoretical prediction for the linear chain Heisenberg antiferromagnet. The saturation fields are consistent with those predicted from a molecular-field model, using exchange strengths obtained from susceptibility studies. Slight anisotropy has been observed in the single crystal studies of (2-amino-5-methylpyridinium)_2CuBr_4.

  5. Stable mean-field solution of a short-range interacting SO(3) quantum Heisenberg spin glass.

    PubMed

    da Conceição, C M S; Marino, E C

    2008-07-18

    We present a mean-field solution for a quantum, short-range interacting, disordered, SO(3) Heisenberg spin model, in which the Gaussian distribution of couplings is centered in an antiferromagnetic (AF) coupling J[over ]>0, and which, for weak disorder, can be treated as a perturbation of the pure AF Heisenberg system. The phase diagram contains, apart from a Néel phase at T=0, spin-glass and paramagnetic phases whose thermodynamic stability is demonstrated by an analysis of the Hessian matrix of the free-energy. The magnetic susceptibilities exhibit the typical cusp of a spin-glass transition.

  6. String limit of the isotropic Heisenberg chain in the four-particle sector

    SciTech Connect

    Antipov, A. G. Komarov, I. V.

    2008-05-15

    The quantum method of variable separation is applied to the spectral problem of the isotropic Heisenberg model. The Baxter difference equation is resolved by means of a special quasiclassical asymptotic expansion. States are identified by multiplicities of limiting values of the Bethe parameters. The string limit of the four-particle sector is investigated. String solutions are singled out and classified. It is shown that only a minor fraction of solutions demonstrate string behavior.

  7. Teleportation via thermally entangled states of a two-qubit Heisenberg XX chain

    SciTech Connect

    Yeo Ye

    2002-12-01

    Recently, entanglement teleportation has been investigated by Lee and Kim [Phys. Rev. Lett. 84, 4236 (2000)]. In this paper we study entanglement teleportation via two separate thermally entangled states of a two-qubit Heisenberg XX chain. We established the condition under which the parameters of the model have to satisfy in order to teleport entanglement. The necessary minimum amount of thermal entanglement for some fixed strength of exchange coupling is a function of the magnetic field and the temperature.

  8. Fourier optics from the perspective of the Heisenberg group

    NASA Astrophysics Data System (ADS)

    Raszillier, Hans; Schempp, Walter

    Introduction The quantization problem The Heisenberg group Description of the wave field Examples from quantum mechanics The phase space of geometrical optics Peculiarities of geometrical optics Phase discontinuities Systems with symmetry Summary and comments References

  9. Whittaker modules for the twisted Heisenberg-Virasoro algebra

    SciTech Connect

    Liu Dong; Wu Yuezhu; Zhu Linsheng

    2010-02-15

    We define Whittaker modules for the twisted Heisenberg-Virasoro algebra and obtain several results from the classical setting, including a classification of simple Whittaker modules by central characters.

  10. Heisenberg's Uncertainty Principle and Interpretive Research in Science Education.

    ERIC Educational Resources Information Center

    Roth, Wolff-Michael

    1993-01-01

    Heisenberg's uncertainty principle and the derivative notions of interdeterminacy, uncertainty, precision, and observer-observed interaction are discussed and their applications to social science research examined. Implications are drawn for research in science education. (PR)

  11. Quasi-Linear Algebras and Integrability (the Heisenberg Picture)

    NASA Astrophysics Data System (ADS)

    Vinet, Luc; Zhedanov, Alexei

    2008-02-01

    We study Poisson and operator algebras with the ''quasi-linear property'' from the Heisenberg picture point of view. This means that there exists a set of one-parameter groups yielding an explicit expression of dynamical variables (operators) as functions of ''time'' t. We show that many algebras with nonlinear commutation relations such as the Askey-Wilson, q-Dolan-Grady and others satisfy this property. This provides one more (explicit Heisenberg evolution) interpretation of the corresponding integrable systems.

  12. Measurements and modeling of transport and impurity radial profiles in the EXTRAP T2R reversed field pinch

    NASA Astrophysics Data System (ADS)

    Kuldkepp, M.; Brunsell, P. R.; Cecconello, M.; Dux, R.; Menmuir, S.; Rachlew, E.

    2006-09-01

    Radial impurity profiles of oxygen in the rebuilt reversed field pinch EXTRAP T2R [P. R. Brunsell et al., Plasma Phys. Control. Fusion 43, 1457 (2001)] have been measured with a multichannel spectrometer. Absolute ion densities for oxygen peak between 1-4×1010cm-3 for a central electron density of 1×1013cm-3. Transport simulations with the one-dimensional transport code STRAHL with a diffusion coefficient of 20m2 s-1 yield density profiles similar to those measured. Direct measurement of the ion profile evolution during pulsed poloidal current drive suggests that the diffusion coefficient is reduced by a factor ˜2 in the core but remains unaffected toward the edge. Core transport is not significantly affected by the radial magnetic field growth seen at the edge in discharges without feedback control. This indicates that the mode core amplitude remains the same while the mode eigenfunction increases at the edge.

  13. Influence of magnetic shear on impurity transport

    SciTech Connect

    Nordman, H.; Fueloep, T.; Candy, J.; Strand, P.; Weiland, J.

    2007-05-15

    The magnetic shear dependence of impurity transport in tokamaks is studied using a quasilinear fluid model for ion temperature gradient (ITG) and trapped electron (TE) mode driven turbulence in the collisionless limit and the results are compared with nonlinear gyrokinetic results using GYRO [J. Candy and R. E. Waltz, J. Comput. Phys 186, 545 (2003)]. It is shown that the impurity transport is sensitive to the magnetic shear, in particular for weak, negative, and large positive shear where a strong reduction of the effective impurity diffusivity is obtained. The fluid and gyrokinetic results are in qualitative agreement, with the gyrokinetic diffusivities typically a factor 2 larger than the fluid diffusivities. The steady state impurity profiles in source-free plasmas are found to be considerably less peaked than the electron density profiles for moderate shear. Comparisons between anomalous and neoclassical transport predictions are performed for ITER-like profiles [R. Aymar, P. Barabaschi, and Y. Shimomura, Plasma Phys. Controlled Fusion 44, 519 (2002)].

  14. Numerical Studies of Impurities in Fusion Plasmas

    DOE R&D Accomplishments Database

    Hulse, R. A.

    1982-09-01

    The coupled partial differential equations used to describe the behavior of impurity ions in magnetically confined controlled fusion plasmas require numerical solution for cases of practical interest. Computer codes developed for impurity modeling at the Princeton Plasma Physics Laboratory are used as examples of the types of codes employed for this purpose. These codes solve for the impurity ionization state densities and associated radiation rates using atomic physics appropriate for these low-density, high-temperature plasmas. The simpler codes solve local equations in zero spatial dimensions while more complex cases require codes which explicitly include transport of the impurity ions simultaneously with the atomic processes of ionization and recombination. Typical applications are discussed and computational results are presented for selected cases of interest.

  15. Impurity induced resistivity upturns in underdoped cuprates

    NASA Astrophysics Data System (ADS)

    Das, Nabyendu; Singh, Navinder

    2016-01-01

    Impurity induced low temperature upturns in both the ab-plane and the c-axis dc-resistivities of cuprates in the pseudogap state have been observed in experiments. We provide an explanation of this phenomenon by incorporating impurity scattering of the charge carriers within a phenomenological model proposed by Yang, Rice and Zhang. The scattering between charge carriers and the impurity atom is considered within the lowest order Born approximation. Resistivity is calculated within Kubo formula using the impurity renormalized spectral functions. Using physical parameters for cuprates, we describe qualitative features of the upturn phenomena and its doping evolution that coincides with the experimental findings. We stress that this effect is largely due to the strong electronic correlations.

  16. Exactly solved mixed spin-(1,1/2) Ising-Heisenberg distorted diamond chain

    NASA Astrophysics Data System (ADS)

    Lisnyi, Bohdan; Strečka, Jozef

    2016-11-01

    The mixed spin-(1,1/2) Ising-Heisenberg model on a distorted diamond chain with the spin-1 nodal atoms and the spin-1/2 interstitial atoms is exactly solved by the transfer-matrix method. An influence of the geometric spin frustration and the parallelogram distortion on the ground state, magnetization, susceptibility and specific heat of the mixed-spin Ising-Heisenberg distorted diamond chain are investigated in detail. It is demonstrated that the zero-temperature magnetization curve may involve intermediate plateaus just at zero and one-half of the saturation magnetization. The temperature dependence of the specific heat may have up to three distinct peaks at zero magnetic field and up to four distinct peaks at a non-zero magnetic field. The origin of multipeak thermal behavior of the specific heat is comprehensively studied.

  17. Motion of a Distinguishable Impurity in the Bose Gas: Arrested Expansion Without a Lattice and Impurity Snaking

    NASA Astrophysics Data System (ADS)

    Robinson, Neil J.; Caux, Jean-Sébastien; Konik, Robert M.

    2016-04-01

    We consider the real-time dynamics of an initially localized distinguishable impurity injected into the ground state of the Lieb-Liniger model. Focusing on the case where integrability is preserved, we numerically compute the time evolution of the impurity density operator in regimes far from analytically tractable limits. We find that the injected impurity undergoes a stuttering motion as it moves and expands. For an initially stationary impurity, the interaction-driven formation of a quasibound state with a hole in the background gas leads to arrested expansion—a period of quasistationary behavior. When the impurity is injected with a finite center-of-mass momentum, the impurity moves through the background gas in a snaking manner, arising from a quantum Newton's cradlelike scenario where momentum is exchanged back and forth between the impurity and the background gas.

  18. Motion of a distinguishable Impurity in the Bose gas: Arrested expansion without a lattice and impurity snaking

    DOE PAGESBeta

    Neil J. Robinson; Caux, Jean -Sebastien; Konik, Robert M.

    2016-04-07

    We consider the real-time dynamics of an initially localized distinguishable impurity injected into the ground state of the Lieb-Liniger model. Focusing on the case where integrability is preserved, we numerically compute the time evolution of the impurity density operator in regimes far from analytically tractable limits. We find that the injected impurity undergoes a stuttering motion as it moves and expands. For an initially stationary impurity, the interaction-driven formation of a quasibound state with a hole in the background gas leads to arrested expansion—a period of quasistationary behavior. In conclusion, when the impurity is injected with a finite center-of-mass momentum,more » the impurity moves through the background gas in a snaking manner, arising from a quantum Newton’s cradlelike scenario where momentum is exchanged back and forth between the impurity and the background gas.« less

  19. Motion of a Distinguishable Impurity in the Bose Gas: Arrested Expansion Without a Lattice and Impurity Snaking.

    PubMed

    Robinson, Neil J; Caux, Jean-Sébastien; Konik, Robert M

    2016-04-01

    We consider the real-time dynamics of an initially localized distinguishable impurity injected into the ground state of the Lieb-Liniger model. Focusing on the case where integrability is preserved, we numerically compute the time evolution of the impurity density operator in regimes far from analytically tractable limits. We find that the injected impurity undergoes a stuttering motion as it moves and expands. For an initially stationary impurity, the interaction-driven formation of a quasibound state with a hole in the background gas leads to arrested expansion-a period of quasistationary behavior. When the impurity is injected with a finite center-of-mass momentum, the impurity moves through the background gas in a snaking manner, arising from a quantum Newton's cradlelike scenario where momentum is exchanged back and forth between the impurity and the background gas. PMID:27104716

  20. Impurity gettering in semiconductors

    DOEpatents

    Sopori, B.L.

    1995-06-20

    A process for impurity gettering in a semiconductor substrate or device such as a silicon substrate or device is disclosed. The process comprises hydrogenating the substrate or device at the back side thereof with sufficient intensity and for a time period sufficient to produce a damaged back side. Thereafter, the substrate or device is illuminated with electromagnetic radiation at an intensity and for a time period sufficient to cause the impurities to diffuse to the back side and alloy with a metal there present to form a contact and capture the impurities. The impurity gettering process also can function to simultaneously passivate defects within the substrate or device, with the defects likewise diffusing to the back side for simultaneous passivation. Simultaneously, substantially all hydrogen-induced damage on the back side of the substrate or device is likewise annihilated. Also taught is an alternate process comprising thermal treatment after hydrogenation of the substrate or device at a temperature of from about 500 C to about 700 C for a time period sufficient to cause the impurities to diffuse to the damaged back side thereof for subsequent capture by an alloying metal. 1 fig.

  1. Heisenberg Uncertainty and the Allowable Masses of the Up Quark and Down Quark

    NASA Astrophysics Data System (ADS)

    Orr, Brian

    2004-05-01

    A possible explanation for the inability to attain deterministic measurements of an elementary particle's energy, as given by the Heisenberg Uncertainty Principle, manifests itself in an interesting anthropic consequent of Andrei Linde's Self-reproducing Inflationary Multiverse model. In Linde's model, the physical laws and constants that govern our universe adopt other values in other universes, due to variable Higgs fields. While the physics in our universe allow for the advent of life and consciousness, the physics necessary for life are not likely to exist in other universes -- Linde demonstrates this through a kind of Darwinism for universes. Our universe, then, is unique. But what are the physical laws and constants that make our universe what it is? Craig Hogan identifies five physical constants that are not bound by symmetry. Fine-tuning these constants gives rise to the basic behavior and structures of the universe. Three of the non-symmetric constants are fermion masses: the up quark mass, the down quark mass, and the electron mass. I will explore Linde's and Hogan's works by comparing the amount of uncertainty in quark masses, as calculated from the Heisenberg Uncertainty Principle, to the range of quark mass values consistent with our observed universe. Should the fine-tuning of the up quark and down quark masses be greater than the range of Heisenberg uncertainties in their respective masses (as I predict, due to quantum tunneling), then perhaps there is a correlation between the measured Heisenberg uncertainty in quark masses and the fine-tuning of masses required for our universe to be as it is. Hogan; "Why the Universe is Just So;" Reviews of Modern Physics; Issue 4; Vol. 72; pg. 1149-1161; Oct. 2000 Linde, "The Self-Reproducing Inflationary Universe;" Scientific American; No. 5; Vol. 271; pg. 48-55; Nov. 1994

  2. Sulfur Tolerant Solid Oxide Fuel Cell for Coal Syngas Application: Experimental Study on Diverse Impurity Effects and Fundamental Modeling of Electrode Kinetics

    NASA Astrophysics Data System (ADS)

    Gong, Mingyang

    With demand over green energy economy, fuel cells have been developed as a promising energy conversion technology with higher efficiency and less emission. Solid oxide fuel cells (SOFC) can utilize various fuels in addition to hydrogen including coal derived sygas, and thus are favored for future power generation due to dependence on coal in electrical industry. However impurities such as sulfur and phosphorous present in coal syngas in parts per million (p.p.m.) levels can severely poison SOFC anode typically made of Ni/yttria-stabilized-zirconia (Ni-YSZ) and limit SOFC applicability in economically derivable fuels. The focus of the research is to develop strategy for application of high performance SOFC in coal syngas with tolerance against trace impurities such as H2S and PH3. To realize the research goal, the experimental study on sulfur tolerant anode materials and examination of various fuel impurity effects on SOFC anode are combined with electrochemical modeling of SOFC cathode kinetics in order to benefit design of direct-coal-syngas SOFC. Tolerant strategy for SOFC anode against sulfur is studied by using alternative materials which can both mitigate sulfur poisoning and function as active anode components. The Ni-YSZ anode was modified by incorporation of lanthanum doped ceria (LDC) nano-coatings via impregnation. Cell test in coal syngas containing 20 ppm H2S indicated the impregnated LDC coatings inhibited on-set of sulfur poisoning by over 10hrs. Cell analysis via X-ray photon spectroscopy (XPS), X-ray diffraction (XRD) and electrochemistry revealed LDC coatings reacted with H2S via chemisorptions, resulting in less sulfur blocking triple--phase-boundary and minimized performance loss. Meanwhile the effects of PH3 impurity on SOFC anode is examined by using Ni-YSZ anode supported SOFC. Degradation of cell is found to be irreversible due to adsorption of PH3 on TPB and further reaction with Ni to form secondary phases with low melting point. The

  3. Variational Monte Carlo investigation of SU (N ) Heisenberg chains

    NASA Astrophysics Data System (ADS)

    Dufour, Jérôme; Nataf, Pierre; Mila, Frédéric

    2015-05-01

    Motivated by recent experimental progress in the context of ultracold multicolor fermionic atoms in optical lattices, we have investigated the properties of the SU (N) Heisenberg chain with totally antisymmetric irreducible representations, the effective model of Mott phases with m models have been studied for arbitrary N and m with non-Abelian bosonization [I. Affleck, Nucl. Phys. B 265, 409 (1986), 10.1016/0550-3213(86)90167-7; I. Affleck, Nucl. Phys. B 305, 582 (1988), 10.1016/0550-3213(88)90117-4], leading to predictions about the nature of the ground state (gapped or critical) in most but not all cases. Using exact diagonalization and variational Monte Carlo based on Gutzwiller projected fermionic wave functions, we have been able to verify these predictions for a representative number of cases with N ≤10 and m ≤N /2 , and we have shown that the opening of a gap is associated to a spontaneous dimerization or trimerization depending on the value of m and N . We have also investigated the marginal cases where Abelian bosonization did not lead to any prediction. In these cases, variational Monte Carlo predicts that the ground state is critical with exponents consistent with conformal field theory.

  4. NMR spin relaxation rates in the Heisenberg bilayer

    NASA Astrophysics Data System (ADS)

    Mendes, Tiago; Curro, Nicholas; Scalettar, Richard; Paiva, Thereza; Dos Santos, Raimundo R.

    One of the striking features of heavy fermions is the fact that in the vicinity of a quantum phase transition these systems exhibit the breakdown of Fermi-liquid behavior and superconductivity. Nuclear magnetic resonance (NMR) expirements play an important role in the study of these phenomena. Measurements of NMR spin relaxation rates and Knight shift, for instance, can be used to probe the electronic spin susceptibility of these systems. Here we studied the NMR response of the Heisenberg bilayer model. In this model, it is well known that the increase of the interplane coupling between the planes, Jperp, supresses the antiferromagnetic order at a quantum critical point (QCP). We use stochastic series expansion (SSE) and the maximum-entropy analytic continuation method to calculate the NMR spin lattice relaxation rate 1 /T1 and the spin echo decay 1 /T2 G as function of Jperp. The spin echo decay, T2 G increases for small Jperp, due to the increase of the order parameter, and then vanishes abruptly in the QCP. The effects of Jperp dilution disorder in the QCP and the relaxation rates are also discussed. This research was supported by the NNSA Grant Number DE-NA 0002908, and Ciência sem fronteiras program/CNPQ.

  5. Spatial Correlation in the Three-band Copper Oxide Model: Dynamical Mean-field Study with Configuration Interaction Based Impurity Solver

    NASA Astrophysics Data System (ADS)

    Go, Ara; Millis, Andrew J.

    2014-03-01

    The three-band copper oxide model is studied using the single-site and four-site dynamical mean-field theory with configuration interaction based impurity solver. Comparison of the single and four site approximations shows that short ranged antiferromagnetic correlations are crucial to the physics. In the undoped case, they increase the gap size, shift the metal-insulator phase boundary and enhance the conductivity at the gap edge. The relation of antiferromagnetism and the pseudogap is discussed for the doped case. The new solver permits the inclusion of more bath orbitals which are crucial for accurate studies of spectral properties near the gap edge. This work was supported by the US Department of Energy under Grants No. DOE FG02-04ER46169 and DE-SC0006613.

  6. Anderson metal-insulator transitions with classical magnetic impurities

    SciTech Connect

    Jung, Daniel; Kettemann, Stefan

    2014-08-20

    We study the effects of classical magnetic impurities on the Anderson metal-insulator transition (AMIT) numerically. In particular we find that while a finite concentration of Ising impurities lowers the critical value of the site-diagonal disorder amplitude W{sub c}, in the presence of Heisenberg impurities, W{sub c} is first increased with increasing exchange coupling strength J due to time-reversal symmetry breaking. The resulting scaling with J is compared to analytical predictions by Wegner [1]. The results are obtained numerically, based on a finite-size scaling procedure for the typical density of states [2], which is the geometric average of the local density of states. The latter can efficiently be calculated using the kernel polynomial method [3]. Although still suffering from methodical shortcomings, our method proves to deliver results close to established results for the orthogonal symmetry class [4]. We extend previous approaches [5] by combining the KPM with a finite-size scaling analysis. We also discuss the relevance of our findings for systems like phosphor-doped silicon (Si:P), which are known to exhibit a quantum phase transition from metal to insulator driven by the interplay of both interaction and disorder, accompanied by the presence of a finite concentration of magnetic moments [6].

  7. Tight-Binding Description of Impurity States in Semiconductors

    ERIC Educational Resources Information Center

    Dominguez-Adame, F.

    2012-01-01

    Introductory textbooks in solid state physics usually present the hydrogenic impurity model to calculate the energy of carriers bound to donors or acceptors in semiconductors. This model treats the pure semiconductor as a homogeneous medium and the impurity is represented as a fixed point charge. This approach is only valid for shallow impurities…

  8. 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

  9. Valence bond distribution and correlation in bipartite Heisenberg antiferromagnets

    NASA Astrophysics Data System (ADS)

    Schwandt, David; Alet, Fabien; Oshikawa, Masaki

    2014-03-01

    Every singlet state of a quantum spin-1/2 system can be decomposed into a linear combination of valence bond basis states. The range of valence bonds within this linear combination as well as the correlations between them can reveal the nature of the singlet state and are key ingredients in variational calculations. In this work, we study the bipartite valence bond distributions and their correlations within the ground state of the Heisenberg antiferromagnet on bipartite lattices. In terms of field theory, this problem can be mapped to correlation functions near a boundary. In dimension d ≥2, a nonlinear σ model analysis reveals that at long distances the probability distribution P (r) of valence bond lengths decays as |r|-d-1 and that valence bonds are uncorrelated. By a bosonization analysis, we also obtain P(r )∝|r|-d-1 in d =1 despite the different mechanism. On the other hand, we find that correlations between valence bonds are important even at large distances in d =1, in stark contrast to d ≥2. The analytical results are confirmed by high-precision quantum Monte Carlo simulations in d =1, 2, and 3. We develop a single-projection loop variant of the valence bond projection algorithm, which is well designed to compute valence bond probabilities and for which we provide algorithmic details.

  10. Field dependent spin transport of anisotropic Heisenberg chain

    NASA Astrophysics Data System (ADS)

    Rezania, H.

    2016-04-01

    We have addressed the static spin conductivity and spin Drude weight of one-dimensional spin-1/2 anisotropic antiferromagnetic Heisenberg chain in the finite magnetic field. We have investigated the behavior of transport properties by means of excitation spectrum in terms of a hard core bosonic representation. The effect of in-plane anisotropy on the spin transport properties has also been studied via the bosonic model by Green's function approach. This anisotropy is considered for exchange constants that couple spin components perpendicular to magnetic field direction. We have found the temperature dependence of the spin conductivity and spin Drude weight in the gapped field induced spin-polarized phase for various magnetic field and anisotropy parameters. Furthermore we have studied the magnetic field dependence of static spin conductivity and Drude weight for various anisotropy parameters. Our results show the regular part of spin conductivity vanishes in isotropic case however Drude weight has a finite non-zero value and the system exhibits ballistic transport properties. We also find the peak in the static spin conductivity factor moves to higher temperature upon increasing the magnetic field at fixed anisotropy. The static spin conductivity is found to be monotonically decreasing with magnetic field due to increase of energy gap in the excitation spectrum. Furthermore we have studied the temperature dependence of spin Drude weight for different magnetic field and various anisotropy parameters.

  11. 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.

  12. The physics of Kondo impurities in graphene.

    PubMed

    Fritz, Lars; Vojta, Matthias

    2013-03-01

    This article summarizes our understanding of the Kondo effect in graphene, primarily from a theoretical perspective. We shall describe different ways to create magnetic moments in graphene, either by adatom deposition or via defects. For dilute moments, the theoretical description is in terms of effective Anderson or Kondo impurity models coupled to graphene's Dirac electrons. We shall discuss in detail the physics of these models, including their quantum phase transitions and the effect of carrier doping, and confront this with existing experimental data. Finally, we will point out connections to other quantum impurity problems, e.g., in unconventional superconductors, topological insulators, and quantum spin liquids.

  13. Approaching the Heisenberg Limit Without Single-Particle Detection

    NASA Astrophysics Data System (ADS)

    Bentsen, Gregory; Davis, Emily; Schleier-Smith, Monika

    2016-05-01

    Achieving Heisenberg-limited measurements with ensembles of more than a few particles remains a major outstanding challenge. The problem is two-fold: one must not only prepare a sufficiently sensitive state, but also be able to detect it. While it is commonly assumed that Heisenberg-limited measurement demands single-particle-resolved detection, we propose an alternative approach that bypasses this requirement. We show that the ``one-axis twisting'' interaction, well known for generating spin squeezing in atomic ensembles, can also amplify the output signal of an entanglement-enhanced interferometer to facilitate readout. Even in the presence of dissipation, the protocol significantly relaxes the detection resolution required for spectroscopy beyond the standard quantum limit, and achieves near-Heisenberg-limited precision in a √{ N}-times shorter evolution than is required to reach the GHZ state. AFOSR, NSF.

  14. RKKY interaction of magnetic impurities in Dirac and Weyl semimetals

    NASA Astrophysics Data System (ADS)

    Chang, Hao-Ran; Zhou, Jianhui; Wang, Shi-Xiong; Shan, Wen-Yu; Xiao, Di

    2015-12-01

    We theoretically study the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between magnetic impurities in both Dirac and Weyl semimetals (SMs). We find that the internode process, as well as the unique three-dimensional spin-momentum locking, has significant influences on the RKKY interaction, resulting in both a Heisenberg and an Ising term, and an additional Dzyaloshinsky-Moriya term if the inversion symmetry is absent. These interactions can lead to rich spin textures and possible ferromagnetism in Dirac and time-reversal symmetry-invariant Weyl SMs. The effect of anisotropic Dirac and Weyl nodes on the RKKY interaction is also discussed. Our results provide an alternative scheme to engineer topological SMs and shed new light on the application of Dirac and Weyl SMs in spintronics.

  15. Numerical Simulation of mobile BEC-impurity interaction

    NASA Astrophysics Data System (ADS)

    Lausch, Tobias; Grusdt, Fabian; Fleischhauer, Michael; Widera, Artur

    2016-05-01

    Cooling atoms to temperatures, where quantum effects become dominant, has become a standard in cold atom experiments. Especially interactions of quantum baths such as fermi gases and the implementation of impurities, which form fermi polarons, have been studied theoretically and experimentally in detail. However, detailed experiments on the bose polaron and the interaction between impurities and a bose gas are still elusive. We consider a model, where we immerse a single impurity into a BEC, which is described by Bogoliubov approximation. From the master equation, we derived the impurity's momentum resolved scattering and cooling dynamics for numerical simulations. Such cooling processes should enable momentum resolved radio-frequency spectroscopy of the BEC polaron.

  16. Lipschitz control of geodesics in the Heisenberg group.

    SciTech Connect

    Berry, Robert Dan

    2010-12-01

    Monge first posed his (L{sup 1}) optimal mass transfer problem: to find a mapping of one distribution into another, minimizing total distance of transporting mass, in 1781. It remained unsolved in R{sup n} until the late 1990's. This result has since been extended to Riemannian manifolds. In both cases, optimal mass transfer relies upon a key lemma providing a Lipschitz control on the directions of geodesics. We will discuss the Lipschitz control of geodesics in the (subRiemannian) Heisenberg group. This provides an important step towards a potential theoretic proof of Monge's problem in the Heisenberg group.

  17. Heisenberg-scaled magnetometer with dipolar spin-1 condensates

    NASA Astrophysics Data System (ADS)

    Xing, Haijun; Wang, Anbang; Tan, Qing-Shou; Zhang, Wenxian; Yi, Su

    2016-04-01

    We propose a scheme to realize a Heisenberg-scaled magnetometer using dipolar spin-1 condensates. The input state of magnetometer is prepared by slowly sweeping a transverse magnetic field to zero, which yields a highly entangled spin state of N atoms. We show that this process is protected by a parity symmetry such that the state preparation time is within the reach of the current experiment. We also propose a parity measurement with a Stern-Gerlach apparatus which is shown to approach the optimal measurement in the large atom number limit. Finally, we show that the phase estimation sensitivity of the proposed scheme roughly follows the Heisenberg scaling.

  18. A quaternionic map for the steady states of the Heisenberg spin-chain

    NASA Astrophysics Data System (ADS)

    Mehta, Mitaxi P.; Dutta, Souvik; Tiwari, Shubhanshu

    2014-01-01

    We show that the steady states of the classical Heisenberg XXX spin-chain in an external magnetic field can be found by iterations of a quaternionic map. A restricted model, e.g., the xy spin-chain is known to have spatially chaotic steady states and the phase space occupied by these chaotic states is known to go through discrete changes as the field strength is varied. The same phenomenon is studied for the xxx spin-chain. It is seen that in this model the phase space volume varies smoothly with the external field.

  19. Systoles on Heisenberg groups with Carnot-Caratheodory metrics

    SciTech Connect

    Dontsov, V V

    2001-04-30

    The systolic properties of the nilmanifolds N{sup 2n+1} associated with the higher Heisenberg groups H{sub 2n+1} are studied. Effective estimates of the systolic constants {sigma}(N{sup 2n+1}) in the Carnot-Caratheodory geometry, as functions of the parameters defining a uniform lattice on H{sub 2n+1}, are obtained.

  20. Thermodynamics of the Heisenberg ferromagnet in an applied magnetic field.

    NASA Technical Reports Server (NTRS)

    Flax, L.

    1972-01-01

    The anisotropic-Heisenberg-ferromagnet formalism developed previously is examined to include an applied magnetic field for the isotropic case in the random-phase approximation. Thermodynamic quantities such as magnetization, susceptibility, and the derivative of magnetization with respect to temperature are studied near the Curie point.

  1. Phase diagrams of a classical two-dimensional Heisenberg antiferromagnet with single-ion anisotropy

    NASA Astrophysics Data System (ADS)

    Leidl, R.; Selke, W.

    2004-11-01

    A classical variant of the two-dimensional anisotropic Heisenberg model reproducing inelastic neutron scattering experiments on La5Ca9Cu24O41 [M. Matsuda , Phys. Rev. B 68, 060406(R) (2003)] is analyzed using mostly Monte Carlo techniques. Phase diagrams with external fields parallel and perpendicular to the easy axis of the anisotropic interactions are determined, including antiferromagnetic and spin-flop phases. Mobile spinless defects, or holes, are found to form stripes which bunch, debunch, and break up at a phase transition. A parallel field can lead to a spin-flop phase.

  2. Phase diagram of the frustrated spin-1/2 Heisenberg antiferromagnet in two dimensions

    NASA Technical Reports Server (NTRS)

    Dagotto, Elbio; Moreo, Adriana

    1989-01-01

    A Lanczos technique is used to study the frustrated spin-1/2 Heisenberg model on square lattices of 16 and 20 sites. Frustration is introduced by an interaction along the diagonals of the plaquettes with coupling J2 greater than or equal to 0. For large J2, the ground state breaks (spontaneously) the lattice rotational symmetry. For intermediate values of J2, the squares of order parameters associated with spin-Peierls and 'twisted'states have a peak, while a similar quantity for a chiral state shows no interesting structure.

  3. Spectrum, symmetries, and dynamics of Heisenberg spin-1/2 chains

    NASA Astrophysics Data System (ADS)

    Joel, Kira; Kollmar, Davida; Santos, Lea

    2013-03-01

    Quantum spin chains are prototype quantum many-body systems. They are employed in the description of various complex physical phenomena. Here we provide an introduction to the subject by focusing on the time evolution of Heisenberg spin-1/2 chains with couplings between nearest-neighbor sites only. We study how the anisotropy parameter and the symmetries of the model affect its time evolution. Our predictions are based on the analysis of the eigenvalues and eigenstates of the system and then confirmed with actual numerical results.

  4. Spin-Lattice-Coupled Order in Heisenberg Antiferromagnets on the Pyrochlore Lattice.

    PubMed

    Aoyama, Kazushi; Kawamura, Hikaru

    2016-06-24

    Effects of local lattice distortions on the spin ordering are investigated for the antiferromagnetic classical Heisenberg model on the pyrochlore lattice. It is found by Monte Carlo simulations that the spin-lattice coupling (SLC) originating from site phonons induces a first-order transition into two different types of collinear magnetic ordered states. The state realized at the stronger SLC is cubic symmetric characterized by the magnetic (1/2,1/2,1/2) Bragg peaks, while that at the weaker SLC is tetragonal symmetric characterized by the (1,1,0) ones, each accompanied by the commensurate local lattice distortions. Experimental implications to chromium spinels are discussed. PMID:27391746

  5. Spin-Lattice-Coupled Order in Heisenberg Antiferromagnets on the Pyrochlore Lattice

    NASA Astrophysics Data System (ADS)

    Aoyama, Kazushi; Kawamura, Hikaru

    2016-06-01

    Effects of local lattice distortions on the spin ordering are investigated for the antiferromagnetic classical Heisenberg model on the pyrochlore lattice. It is found by Monte Carlo simulations that the spin-lattice coupling (SLC) originating from site phonons induces a first-order transition into two different types of collinear magnetic ordered states. The state realized at the stronger SLC is cubic symmetric characterized by the magnetic (1/2 ,1/2 ,1/2 ) Bragg peaks, while that at the weaker SLC is tetragonal symmetric characterized by the (1,1,0) ones, each accompanied by the commensurate local lattice distortions. Experimental implications to chromium spinels are discussed.

  6. New Universality Class in Spin-One-Half Fibonacci Heisenberg Chains

    NASA Astrophysics Data System (ADS)

    Hida, Kazuo

    2004-07-01

    Low energy properties of the S=1/2 antiferromagnetic Heisenberg chains with Fibonacci exchange modulation are studied using the real space renormalization group method for strong exchange modulation. Using the analytical solution of the recursion equation, the true asymptotic behavoir is revealed, which was veiled by the finite size effect in the previous numerical works. It is found that the ground state of this model belongs to a new universality class with a logarithmically divergent dynamical exponent which is neither like Fibonacci XY chains nor like XY chains with relevant aperiodicity.

  7. New universality class in spin-one-half Fibonacci Heisenberg chains.

    PubMed

    Hida, Kazuo

    2004-07-16

    Low energy properties of the S=1/2 antiferromagnetic Heisenberg chains with Fibonacci exchange modulation are studied using the real space renormalization group method for strong exchange modulation. Using the analytical solution of the recursion equation, the true asymptotic behavoir is revealed, which was veiled by the finite size effect in the previous numerical works. It is found that the ground state of this model belongs to a new universality class with a logarithmically divergent dynamical exponent which is neither like Fibonacci XY chains nor like XY chains with relevant aperiodicity. PMID:15323863

  8. Impurity sources in TEXTOR

    NASA Astrophysics Data System (ADS)

    Pospieszczyk, A.; Bay, H. L.; Bogen, P.; Hartwig, H.; Hintz, E.; Konen, L.; Ross, G. G.; Rusbuldt, D.; Samm, U.; Schweer, B.

    1987-02-01

    The deuterium, oxygen and carbon fluxes from the main limiter and the deuterium fluxes from the wall are measured in TEXTOR for an "all carbon" surrounding as a function of central density ne, of applied ICRH-power and of different wall conditions (carbonization). For this purpose, emission spectroscopy both with filter systems and spectrometers has been used. It is found that a major release mechanism for light impurities is via the formation of molecules. Oxygen seems to enter the discharge from the liner via O-D containing molecules, whereas the limiter acts as the main carbon source by the release of hydro-carbons as indicated by the observed CD-band spectra. Both oxygen and carbon fluxes are reduced by about a factor of two after a fresh carbonization. Above a certain critical density the plasma detaches from the limiter and forms a stable discharge with a radiation cooled boundary layer and with a major fraction of particles now reaching the wall instead of the limiter. The critical density rises with decreasing impurity fluxes or with increasing heating powers.

  9. Scattering-induced quantum correlation in electronic waveguides with static magnetic impurities

    NASA Astrophysics Data System (ADS)

    Ghanbari-Adivi, E.; Soltani, M.; Alami, Z.; Sheikhali, M.

    2016-07-01

    Entanglement generation due to low-energy scattering of the transporting electrons in an electronic waveguide by a quantum dot magnetic impurity is theoretically investigated. The transverse confining potential of the waveguide is considered as a two-dimensional harmonic potential, and the interaction of the electron with the impurity is described by a zero-range pseudopotential modulated by an Ising or a Heisenberg spin interaction. Our calculation shows that the scattering process leads to creation of a considerable amount of entanglement in the state of the reflected and transmitted electrons. The situation is extended to the scattering of the electrons by two well-separated magnetic impurities localized on the nanowire axis. It is shown that the scattering process causes the magnetic impurities embedded in the nanowire to share their quantum information; subsequently, they can be entangled by spin interaction with the injected electron. The created entanglement between the impurities is calculated and discussed. It is shown that the exact three-dimensional problem can be approximated as a one-dimensional problem under certain circumstances. The approximate results are compared to exact calculations and discussed.

  10. Scattering-induced quantum correlation in electronic waveguides with static magnetic impurities

    NASA Astrophysics Data System (ADS)

    Ghanbari-Adivi, E.; Soltani, M.; Alami, Z.; Sheikhali, M.

    2016-10-01

    Entanglement generation due to low-energy scattering of the transporting electrons in an electronic waveguide by a quantum dot magnetic impurity is theoretically investigated. The transverse confining potential of the waveguide is considered as a two-dimensional harmonic potential, and the interaction of the electron with the impurity is described by a zero-range pseudopotential modulated by an Ising or a Heisenberg spin interaction. Our calculation shows that the scattering process leads to creation of a considerable amount of entanglement in the state of the reflected and transmitted electrons. The situation is extended to the scattering of the electrons by two well-separated magnetic impurities localized on the nanowire axis. It is shown that the scattering process causes the magnetic impurities embedded in the nanowire to share their quantum information; subsequently, they can be entangled by spin interaction with the injected electron. The created entanglement between the impurities is calculated and discussed. It is shown that the exact three-dimensional problem can be approximated as a one-dimensional problem under certain circumstances. The approximate results are compared to exact calculations and discussed.

  11. Impurity transport due to electromagnetic drift wave turbulence

    NASA Astrophysics Data System (ADS)

    Moradi, S.; Pusztai, I.; Mollén, A.; Fülöp, T.

    2012-03-01

    Finite β effects on impurity transport are studied through local linear gyrokinetic simulations with GYRO [J. Candy and E. Belli, General Atomics Report No. GA-A26818, 2011]; in particular, we investigate the parametric dependences of the impurity peaking factor (zero-flux density gradient) and the onset of the kinetic ballooning modes (KBMs). We find that electromagnetic effects even at low β can have significant impact on the impurity transport. The KBM instability threshold depends on the plasma parameters, particularly strongly on plasma shape. We have shown that magnetic geometry significantly influences the results, and the commonly used s-α model overestimates the KBM growth rates and ITG stabilization at high β. In the β range, where the KBM is the dominant instability the impurity peaking factor is strongly reduced, with very little dependence on β and the impurity charge.

  12. Impurities in Kevlar 49 fibers

    SciTech Connect

    Pruneda, C.O.; Morgan, R.J.; Lim, R.; Gregory, L.J.; Fischer, J.W.

    1984-12-11

    The impurities in Kevlar 49 fibers (poly(p-phenylene terephthalamide)PPTA) are reported and discussed in terms of the fiber fabrication processes. These impurities were monitored by inductively coupled plasma emission and optical emission spectroscopy. The principal impurities Na/sub 2/SO/sub 4/ and total S were analyzed chemically. From these chemical analyses together with C, N, H elemental analyses we show that there are 1.5 wt % impurities present in Kevlar 49 fibers of which approx. 50% are in the form of Na/sub 2/SO/sub 4/ and the remainder probably in the form of benzene sulfonic -SO/sub 3/H PPTA side groups. There are 3 of these acid groups per each PPTA macromolecule. Organic impurities, such as terephthalic acid are discussed in the light of degradation studies of PPTA-H/sub 2/SO/sub 4/ spinning dopes. Electron microprobe x-ray spectroscopy and laser-induced damage studies were utilized to investigate the distribution of impurities through the fiber cross-section. The distribution of impurities throughout the fiber are determined by the fiber fabrication processes and are discussed at the microscopic and molecular level. The defects caused by these impurities and their effect on the deformation and failure modes are also considered. 22 references, 3 tables.

  13. Approaching the Heisenberg Limit without Single-Particle Detection.

    PubMed

    Davis, Emily; Bentsen, Gregory; Schleier-Smith, Monika

    2016-02-01

    We propose an approach to quantum phase estimation that can attain precision near the Heisenberg limit without requiring single-particle-resolved state detection. We show that the "one-axis twisting" interaction, well known for generating spin squeezing in atomic ensembles, can also amplify the output signal of an entanglement-enhanced interferometer to facilitate readout. Applying this interaction-based readout to oversqueezed, non-Gaussian states yields a Heisenberg scaling in phase sensitivity, which persists in the presence of detection noise as large as the quantum projection noise of an unentangled ensemble. Even in dissipative implementations-e.g., employing light-mediated interactions in an optical cavity or Rydberg dressing-the method significantly relaxes the detection resolution required for spectroscopy beyond the standard quantum limit. PMID:26894711

  14. q-graded Heisenberg algebras and deformed supersymmetries

    SciTech Connect

    Ben Geloun, Joseph; Hounkonnou, Mahouton Norbert

    2010-02-15

    The notion of q-grading on the enveloping algebra generated by products of q-deformed Heisenberg algebras is introduced for q complex number in the unit disk. Within this formulation, we consider the extension of the notion of supersymmetry in the enveloping algebra. We recover the ordinary Z{sub 2} grading or Grassmann parity for associative superalgebra and a modified version of the usual supersymmetry. As a specific problem, we focus on the interesting limit q{yields}-1 for which the Arik and Coon deformation [J. Math. Phys. 17, 524 (1976)] of the Heisenberg algebra allows one to map fermionic modes to bosonic ones in a modified sense. Different algebraic consequences are discussed.

  15. Far-from-equilibrium spin transport in Heisenberg quantum magnets.

    PubMed

    Hild, Sebastian; Fukuhara, Takeshi; Schauß, Peter; Zeiher, Johannes; Knap, Michael; Demler, Eugene; Bloch, Immanuel; Gross, Christian

    2014-10-01

    We study experimentally the far-from-equilibrium dynamics in ferromagnetic Heisenberg quantum magnets realized with ultracold atoms in an optical lattice. After controlled imprinting of a spin spiral pattern with an adjustable wave vector, we measure the decay of the initial spin correlations through single-site resolved detection. On the experimentally accessible time scale of several exchange times, we find a profound dependence of the decay rate on the wave vector. In one-dimensional systems, we observe diffusionlike spin transport with a dimensionless diffusion coefficient of 0.22(1). We show how this behavior emerges from the microscopic properties of the closed quantum system. In contrast to the one-dimensional case, our transport measurements for two-dimensional Heisenberg systems indicate anomalous superdiffusion. PMID:25325657

  16. The role of phase space geometry in Heisenberg's uncertainty relation

    NASA Astrophysics Data System (ADS)

    Anastopoulos, Charis; Savvidou, Ntina

    2003-11-01

    Aiming towards a geometric description of quantum theory, we study the coherent states-induced metric on the phase space, which provides a geometric formulation of the Heisenberg uncertainty relations (both the position-momentum and the time-energy ones). The metric also distinguishes the original uncertainty relations of Heisenberg from the ones that are obtained from non-commutativity of operators. Conversely, the uncertainty relations can be written in terms of this metric only, hence they can be formulated for any physical system, including ones with non-trivial phase space. Moreover, the metric is a key ingredient of the probability structure of continuous-time histories on phase space. This fact allows a simple new proof the impossibility of the physical manifestation of the quantum Zeno and anti-Zeno paradoxes. Finally, we construct the coherent states for a spinless relativistic particle, as a non-trivial example by which we demonstrate our results.

  17. Heisenberg-limited sensitivity with decoherence-enhanced measurements.

    PubMed

    Braun, Daniel; Martin, John

    2011-01-01

    Quantum-enhanced measurements use quantum mechanical effects to enhance the sensitivity of the measurement of classical quantities, such as the length of an optical cavity. The major goal is to beat the standard quantum limit (SQL), that is, an uncertainty of order , where N is the number of quantum resources (for example, the number of photons or atoms used), and to achieve a scaling 1/N, known as the Heisenberg limit. So far very few experiments have demonstrated an improvement over the SQL. The required quantum states are generally highly entangled, difficult to produce, and very prone to decoherence. Here, we show that Heisenberg-limited measurements can be achieved without the use of entangled states by coupling the quantum resources to a common environment that can be measured at least in part. The method is robust under decoherence, and in fact the parameter dependence of collective decoherence itself can be used to reach a 1/N scaling.

  18. Search for the Heisenberg spin glass on rewired square lattices with antiferromagnetic interaction

    NASA Astrophysics Data System (ADS)

    Surungan, Tasrief; Bansawang B., J.; Tahir, Dahlang

    2016-03-01

    Spin glass (SG) is a typical magnetic system with frozen random spin orientation at low temperatures. The system exhibits rich physical properties, such as infinite number of ground states, memory effect, and aging phenomena. There are two main ingredients considered to be pivotal for the existence of SG behavior, namely, frustration and randomness. For the canonical SG system, frustration is led by the presence of competing interaction between ferromagnetic (FM) and antiferromagnetic (AF) couplings. Previously, Bartolozzi et al. [Phys. Rev. B73, 224419 (2006)], reported the SG properties of the AF Ising spins on scale free network (SFN). It is a new type of SG, different from the canonical one which requires the presence of both FM and AF couplings. In this new system, frustration is purely caused by the topological factor and its randomness is related to the irregular connectvity. Recently, Surungan et. al. [Journal of Physics: Conference Series, 640, 012001 (2015)] reported SG bahavior of AF Heisenberg model on SFN. We further investigate this type of system by studying an AF Heisenberg model on rewired square lattices. We used Replica Exchange algorithm of Monte Carlo Method and calculated the SG order parameter to search for the existence of SG phase.

  19. Chern-Simons theory for Heisenberg spins on the Kagome Lattice

    NASA Astrophysics Data System (ADS)

    Kumar, Krishna; Sun, Kai; Fradkin, Eduardo

    2015-03-01

    We study the problem of Heisenberg spins on the frustrated Kagome lattice using a 2D Jordan-Wigner transformation that maps the spins (hard-core bosons) onto a system of (interacting) fermions coupled to a Chern-Simons gauge field. This mapping requires us to define a discretized version of the Chern-Simons term on the lattice. Using a recently developed result on how to define Chern-Simons theories on a class of planar lattices, we can consistently study spin models beyond the mean-field level and include the effects of fluctuations, which are generally strong in frustrated systems. Here, we apply these results to study magnetization plateau type states on the Kagome lattice in the regime of XY anisotropy. We find that the 1/3 and 2/3 magnetization plateaus are chiral spin liquid states equivalent to a primary Laughlin fractional quantum Hall state of bosons with (spin) Hall conductivity 1/2 1/4 π and semionic excitations. The 5/9 plateau is a chiral spin liquid equivalent to the first Jain descendant. We also consider the spin-1/2 Heisenberg model on the Kagome lattice with a chirality-breaking term on the triangular plaquettes. This situation also leads to a primary Laughlin bosonic fractional quantum Hall type state with filling fraction 1 / 2 .

  20. Magnetization Process of Spin-1/2 Heisenberg Antiferromagnets on a Layered Triangular Lattice

    NASA Astrophysics Data System (ADS)

    Yamamoto, Daisuke; Marmorini, Giacomo; Danshita, Ippei

    2016-02-01

    We study the magnetization process of the spin-1/2 antiferromagnetic Heisenberg model on a layered triangular lattice by means of a numerical cluster mean-field method with a scaling scheme (CMF+S). It has been known that antiferromagnetic spins on a two-dimensional (2D) triangular lattice with quantum fluctuations exhibit a one-third magnetization plateau in the magnetization curve under magnetic field. We demonstrate that the CMF+S quantitatively reproduces the magnetization curve including the stabilization of the plateau. We also discuss the effects of a finite interlayer coupling, which is unavoidable in real quasi-2D materials. It has been recently argued for a model of the layered-triangular-lattice compound Ba3CoSb2O9 that such interlayer coupling can induce an additional first-order transition at a strong field. We present the detailed CMF+S results for the magnetization and susceptibility curves of the fundamental Heisenberg Hamiltonian in the presence of magnetic field and weak antiferromagnetic interlayer coupling. The extra first-order transition appears as a quite small jump in the magnetization curve and a divergence in the susceptibility at a strong magnetic field ˜0.712 of the saturation field.

  1. Field driven phases in the geometrically frustrated dipolar Heisenberg pyrochlore antiferromagnet Gd2Ti2O7

    NASA Astrophysics Data System (ADS)

    Enjalran, Matthew; Del Maestro, Adrian; Gingras, Michel J. P.

    2008-03-01

    The rare-earth pyrochlore gadolinium titanate, Gd2Ti2O7, represents an excellent experimental realization of a Heisenberg antiferromagnet (AFM) in a frustrated geometry with weak long-range dipole-dipole interactions (approximately 20% of nearest neighbor AFM exchange). Experiments on Gd2Ti2O7 in a magnetic field reveal a complex phase diagram associated with the breaking of spatial symmetries of the pyrochlore lattice as the field is applied along select symmetry directions. We study a model of classical Heisenberg spins (O(3) symmetry) on a pyrochlore lattice with exchange and dipolar interactions within mean-field theory. Using parameters relevant to the material system, we develop phase diagrams in finite magnetic fields. Our results our compared to experiments on Gd2Ti2O7 (and Gd2Sn2O7).

  2. Entanglement in a four qubit J1-J2 Heisenberg XXZ system with Dzialoshinskii-Moriya interaction

    NASA Astrophysics Data System (ADS)

    Şahintaş, Alev; Akyüz, Cenk

    2016-04-01

    In this study, we investigate the entanglement properties of a four qubit anisotropic Heisenberg XXZ system which has the nearest neighboring (NN), the next nearest neighboring (NNN) and Dzialoshinskii-Moriya (DM) interactions. Calculations of the ground state and thermal entanglement are carried out in terms of concurrence for selected ranges of control parameters such as DM interaction, anisotropy and frustration. From the results obtained, we see that DM interaction and the frustration play an active role on the ground state entanglement between NN and NNN qubits, respectively. We also see that frustration parameter α exhibits positive effects on the thermal entanglement especially between NNN qubits. Consequently, we show that effective control of entanglement can be obtained by employing competing effects of the control parameters in this general Heisenberg model which is constructed by considering not only NN interaction but also NNN and DM interactions.

  3. Thermal entanglement and teleportation in a two-qubit Heisenberg chain with Dzyaloshinski-Moriya anisotropic antisymmetric interaction

    SciTech Connect

    Zhang, Guo-Feng

    2007-03-15

    Thermal entanglement of a two-qubit Heisenberg chain in the presence of the Dzyaloshinski-Moriya (DM) anisotropic antisymmetric interaction and entanglement teleportation when using two independent Heisenberg chains as the quantum channel are investigated. It is found that the DM interaction can excite entanglement and teleportation fidelity. The output entanglement increases linearly with increasing value of the input; its dependences on the temperature, DM interaction, and spin coupling constant are given in detail. Entanglement teleportation will be better realized via an antiferromagnetic spin chain when the DM interaction is turned off and the temperature is low. However, the introduction of the DM interaction can cause the ferromagnetic spin chain to be a better quantum channel for teleportation. A minimal entanglement of the thermal state in the model is needed to realize the entanglement teleportation regardless of whether the spin chains are antiferromagnetic or ferromagnetic.

  4. Spatially frustrated S = 1 Heisenberg antiferromagnet with single ion anisotropy

    NASA Astrophysics Data System (ADS)

    Pires, A. S. T.

    2016-10-01

    Using the SU(3) Schwinger boson formalism, I study the S = 1 square lattice Heisenberg antiferromagnet, at zero temperature, with spatially anisotropic nearest-neighbor couplings frustrated by a next-nearest neighbor interaction and single ion anisotropy. The phase diagram at zero temperature is presented. My calculations show two magnetically ordered phases separated by a quantum-disordered region for all values of the anisotropy.

  5. Impurity behavior during sawtooth activity in tokamak plasmas

    SciTech Connect

    Nicolas, T.; Garbet, X.; Sabot, R.; Lütjens, H.; Luciani, J.-F.

    2014-01-15

    The transport of impurities by a sawtooth crash is simulated with the XTOR-2F code. Impurities are modeled as passive scalars, evolving in the compressible MHD flow inferred from the main MHD plasma. For a peaked impurity density profile, the non-linear kink flow of the sawtooth crash redistributes the profile efficiently and most of the particles in the peak inside the q = 1 surface are expelled. For an initially hollow impurity density profile, the crash leads to a significant penetration up to the magnetic axis. The results are compared with Kadomtsev's model. Despite essentially different mechanisms, the evolution of the particle content inside the q = 1 surface for Kadomtsev's model and for the non-linear case are virtually identical for the peaked profile, while the model slightly overestimates penetration for the hollow case.

  6. Mobile impurities in ferromagnetic liquids

    NASA Astrophysics Data System (ADS)

    Kantian, Adrian; Schollwoeck, Ulrich; Giamarchi, Thierry

    2011-03-01

    Recent work has shown that mobile impurities in one dimensional interacting systems may exhibit behaviour that differs strongly from that predicted by standard Tomonaga-Luttinger liquid theory, with the appearance of power-law divergences in the spectral function signifying sublinear diffusion of the impurity. Using time-dependent matrix product states, we investigate a range of cases of mobile impurities in systems beyond the analytically accessible examples to assess the existence of a new universality class of low-energy physics in one-dimensional systems. Correspondence: Adrian.Kantian@unige.ch This work was supported in part by the Swiss SNF under MaNEP and division II.

  7. Partition function zeros and magnetization plateaus of the spin-1 Ising-Heisenberg diamond chain

    NASA Astrophysics Data System (ADS)

    Hovhannisyan, V. V.; Ananikian, N. S.; Kenna, R.

    2016-07-01

    We study the properties of the generalized spin-1 Ising-Heisenberg model on a diamond chain, which can be considered as a theoretical model for the homometallic magnetic complex [Ni3(C4H2O4)2 -(μ3 - OH) 2(H2O)4 ] n ṡ(2H2 O) n. The model possesses a large variety of ground-state phases due to the presence of biquadratic and single-ion anisotropy parameters. Magnetization and quadrupole moment plateaus are observed at one- and two-thirds of the saturation value. The distributions of Yang-Lee and Fisher zeros are studied numerically for a variety of values of the model parameters. The usual value σ = -1/2 alongside an unusual value σ = -2/3 ​is determined for the Yang-Lee edge singularity exponents.

  8. Laser Ablation Plume Expansion In The Presence Of Charged Impurities

    SciTech Connect

    Djebli, M.

    2008-09-23

    The expansion of plasma created by laser ablation is investigated using the fluid model. At the first stage of the expansion, electrons are considered in thermal equilibrium. The presence of highly charged impurities is considered through Poisson's equation. The set of nonlinear differential equations is solved using a moving boundary and taken into account the charge separation effect. The uniformly distributed impurities can accelerate or decelerate the ion motion depending on their charge and concentration. It is also found that the separation of the charge is valid for a specific time which depends on the impurities parameters.

  9. The impact of impurities on long-term PEMFC performance

    SciTech Connect

    Garzon, Fernando H; Lopes, Thiago; Rockward, Tommy; Mukundan, Rangachary; Sansinena, Jose - Maria; Kienitz, Brian

    2009-06-23

    Electrochemical experimentation and modeling indicates that impurities degrade fuel cell performance by a variety of mechanisms. Electrokinetics may be inhibited by catalytic site poisoning from sulfur compounds and CO and by decreased local proton activity and mobility caused by the presence of foreign salt cations or ammonia. Cation impurity profiles vary with current density, valence and may change local conductivity and water concentrations in the ionomer. Nitrogen oxides and ammonia species may be electrochemically active under fuel cell operating conditions. The primary impurity removal mechanisms are electrooxidation and water fluxes through the fuel cell.

  10. Classical ground states of Heisenberg and X Y antiferromagnets on the windmill lattice

    NASA Astrophysics Data System (ADS)

    Jeevanesan, Bhilahari; Orth, Peter P.

    2014-10-01

    We investigate the classical Heisenberg and planar (X Y ) spin models on the windmill lattice. The windmill lattice is formed out of two widely occurring lattice geometries: a triangular lattice is coupled to its dual honeycomb lattice. Using a combination of iterative minimization, heat-bath Monte Carlo simulations, and analytical calculations, we determine the complete ground-state phase diagram of both models and find the exact energies of the phases. The phase diagram shows a rich phenomenology due to competing interactions and hosts, in addition to collinear and various coplanar phases, also intricate noncoplanar phases. We briefly outline different paths to an experimental realization of these spin models. Our extensive study provides a starting point for the investigation of quantum and thermal fluctuation effects.

  11. Magnetic Properties of a Heisenberg Coupled-Trimer Molecular Magnet: General

    SciTech Connect

    Haraldsen, Jason T; Barnes, Ted {F E }; Sinclair IV, John W; Thompson, James R; Sacci, Robert L.; Turner, John F. C.

    2009-01-01

    We report predictions for the energy eigenstates and inelastic neutron scattering excitations of an isotropic Heisenberg hexamer consisting of general spin S and S′ trimers. Specializing to spin-1/2 ions, we give analytic results for the energy excitations, magnetic susceptibility, and inelastic neutron scattering intensities for this hexamer system. To examine this model further, we compare these calculations to the measured magnetic susceptibility of a vanadium material, which is considered to be well defined magnetically as an isolated S = 1/2 V4+ trimer model. Using our model, we determine the amount of inter-trimer coupling that can be accommodated by the measured susceptibility, and predict the inelastic neutron scattering spectrum for comparison with future measurements.

  12. Solving the {eta}-problem in hybrid inflation with Heisenberg symmetry and stabilized modulus

    SciTech Connect

    Antusch, Stefan; Dutta, Koushik; Kostka, Philipp M.; Bastero-Gil, Mar; King, Steve F. E-mail: mbg@ugr.es E-mail: sfk@hep.phys.soton.ac.uk

    2009-01-15

    We propose a class of models in which the {eta}-problem of supersymmetric hybrid inflation is resolved using a Heisenberg symmetry, where the associated modulus field is stabilized and made heavy with the help of the large vacuum energy during inflation without any fine-tuning. The proposed class of models is well motivated both from string theory considerations, since it includes the commonly encountered case of no-scale supergravity Kaehler potential, and from the perspective of particle physics since a natural candidate for the inflaton in this class of models is the right-handed sneutrino which is massless during the inflationary epoch, and subsequently acquires a large mass at the end of inflation. We study a specific example motivated by sneutrino hybrid inflation with no-scale supergravity in some detail, and show that the spectral index may lie within the latest WMAP range, while the tensor-to-scalar ratio is very small.

  13. Parallel impurity dynamics in the TJ-II stellarator

    NASA Astrophysics Data System (ADS)

    Alonso, J. A.; Velasco, J. L.; Calvo, I.; Estrada, T.; Fontdecaba, J. M.; García-Regaña, J. M.; Geiger, J.; Landreman, M.; McCarthy, K. J.; Medina, F.; Van Milligen, B. Ph; Ochando, M. A.; Parra, F. I.; the TJ-II Team; the W7-X Team

    2016-07-01

    We review in a tutorial fashion some of the causes of impurity density variations along field lines and radial impurity transport in the moment approach framework. An explicit and compact form of the parallel inertia force valid for arbitrary toroidal geometry and magnetic coordinates is derived and shown to be non-negligible for typical TJ-II plasma conditions. In the second part of the article, we apply the fluid model including main ion-impurity friction and inertia to observations of asymmetric emissivity patterns in neutral beam heated plasmas of the TJ-II stellarator. The model is able to explain qualitatively several features of the radiation asymmetry, both in stationary and transient conditions, based on the calculated in-surface variations of the impurity density.

  14. Spin frustration of a spin-1/2 Ising-Heisenberg three-leg tube as an indispensable ground for thermal entanglement

    NASA Astrophysics Data System (ADS)

    Strečka, Jozef; Alécio, Raphael Cavalcante; Lyra, Marcelo L.; Rojas, Onofre

    2016-07-01

    The spin-1/2 Ising-Heisenberg three-leg tube composed of the Heisenberg spin triangles mutually coupled through the Ising inter-triangle interaction is exactly solved in a zero magnetic field. By making use of the local conservation for the total spin on each Heisenberg spin triangle the model can be rigorously mapped onto a classical composite spin-chain model, which is subsequently exactly treated through the transfer-matrix method. The ground-state phase diagram, correlation functions, concurrence, Bell function, entropy and specific heat are examined in detail. It is shown that the spin frustration represents an indispensable ground for a thermal entanglement, which is quantified by the quantum concurrence. The specific heat displays diverse temperature dependences, which may include a sharp low-temperature peak mimicking a temperature-driven first-order phase transition. It is convincingly evidenced that this anomalous peak originates from massive thermal excitations from the doubly degenerate ground state towards an excited state with a high macroscopic degeneracy due to chiral degrees of freedom of the Heisenberg spin triangles.

  15. Local Impurity States in Antiferromagnetic Cr-ALLOYS

    NASA Astrophysics Data System (ADS)

    Galkin, V. Yu.

    The concept of local impurity states within the energy gap of a spin-density-wave (SDW) system is introduced. It is shown that resonant scattering of conduction electrons at these states may lead to greatly enhanced low-temperature resistivity. This impurity resonance scattering (IRS) model is employed to explain the variation of residual resistivity and temperature dependence of resistivity at low temperatures of Cr-Fe and Cr-Si systems on V and Mn doping and application of high pressure.

  16. Effects of Impurities in CO2 Spreading Model Development for Field Experiments in the Framework of the CO2QUEST Project

    NASA Astrophysics Data System (ADS)

    Rebscher, D.; Wolf, J. L.; Jung, B.; Bensabat, J.; Segev, R.; Niemi, A. P.

    2014-12-01

    The aim of the CO2QUEST project (Impact of the Quality of CO2 on Storage and Transport) is to investigate the effect of typical impurities in the CO2 stream captured from fossil fuel power plants on its safe and economic transportation and deep geologic storage. An important part of this EU funded project is to enhance the understanding of typical impurity effects in a CO2 stream regarding the performance of the storage. Based on the experimental site Heletz in Israel, where injection tests of water as well as of super-critical pure and impure CO2 will be conducted, numerical simulations are performed. These studies illustrate flow and transport of CO2 and brine as well as impurities induced chemical reactions in relation to changes in the reservoir, e.g. porosity, permeability, pH-value, and mineral composition. Using different THC codes (TOUGH2-ECO2N, TOUGHREACT, PFLOTRAN), the spatial distribution of CO2 and impurities, both in the supercritical and aqueous phases, are calculated. The equation of state (EOS) of above numerical codes are properly modified to deal with binary/tertiary gas mixtures (e.g. CO2-N2 or CO2-SO2). In addition, simulations for a push-pull test of about 10 days duration are performed, which will be validated against experimental field data. Preliminary results are as follows: (a) As expected, the injection of SO2 leads to a strong decrease in pH-value, hence, the total dissolution of carbonate minerals could be observed. (b) Due to the acidic attack on clay minerals , which is enhanced compared to a pure CO2 dissolution, a higher amount of metal ions are released, in particular Fe2+ and Mg2+ by a factor of 25 and 10, respectively. Whereas secondary precipitation occurs only for sulphur minerals, namely anhydrite and pyrite. (c) The co-injection of CO2 with N2 changes physical properties of the gas mixture. Increasing N2 contents induces density decrease of the gas mixture, resulting in faster and wider plume migration compared to the pure

  17. Emergent criticality and Friedan scaling in a two-dimensional frustrated Heisenberg antiferromagnet

    NASA Astrophysics Data System (ADS)

    Orth, Peter P.; Chandra, Premala; Coleman, Piers; Schmalian, Jörg

    2014-03-01

    We study a two-dimensional frustrated Heisenberg antiferromagnet on the windmill lattice consisting of triangular and dual honeycomb lattice sites. In the classical ground state, the spins on different sublattices are decoupled, but quantum and thermal fluctuations drive the system into a coplanar state via an "order from disorder" mechanism. We obtain the finite temperature phase diagram using renormalization group approaches. In the coplanar regime, the relative U(1) phase between the spins on the two sublattices decouples from the remaining degrees of freedom, and is described by a six-state clock model with an emergent critical phase. At lower temperatures, the system enters a Z6 broken phase with long-range phase correlations. We derive these results by two distinct renormalization group approaches to two-dimensional magnetism: Wilson-Polyakov scaling and Friedan's geometric approach to nonlinear sigma models where the scaling of the spin stiffnesses is governed by the Ricci flow of a 4D metric tensor.

  18. Localized states of a semi-infinite zigzag graphene sheet with impurity lines

    SciTech Connect

    Cunha, A. M. C.; Ahmed, Maher Z.; Cottam, M. G.; Filho, R. N. Costa

    2014-07-07

    The localized states of a semi-infinite zigzag graphene sheet are studied using a tight-binding model that allows for the inclusion of either one or two lines of impurities. These impurity lines of atoms are placed in rows labeled as n (n=1, 2, 3, …), where n=1 is the free edge. The localized defect modes associated with these impurities are studied analytically and numerically within a tridiagonal matrix formalism. For one impurity line, the modes are analyzed according to the position of that line on the sheet, whereas the modes for two impurities are studied also according to their separation and their positions relative to the edge. When an impurity line is located at the edge (n=1), it is found that the edge states are modified. When the impurities are positioned away from an edge (n>1), additional localized modes are found to occur that may be relatively flat in their dispersion.

  19. Magnetic field dependence of the precursor diamagnetism in La superconductors with magnetic Pr impurities

    NASA Astrophysics Data System (ADS)

    Soto, F.; Carballeira, C.; Doval, J. M.; Mosqueira, J.; Ramallo, M. V.; Ramos-Álvarez, A.; Sóñora, D.; Verde, J. C.; Vidal, F.

    2015-06-01

    The interplay between fluctuating Cooper pairs and magnetic impurities in conventional BCS low-Tc superconductors has been studied through measurements of the magnetic field dependence of the fluctuation diamagnetism (FD) above Tc in lanthanum with praseodymium impurities. These measurements provide a crucial confirmation of our previous observation (F Soto et al 2006 Europhys. Lett. 73 587) that in the dilute impurity regime the FD increases almost linearly with the concentration of magnetic impurities. This striking effect is attributed to a variation due to the presence of the fluctuating Cooper pairs of the coupling between magnetic impurities. To describe these results at a phenomenological level, we propose a Gaussian Ginzburg-Landau model for the FD which includes an indirect contribution proportional to both the concentration of impurities and the density of the Cooper pairs. Our approach is able to explain simultaneously the FD increase due to magnetic impurities and its decrease with the application of large magnetic fields.

  20. Q-operators for the open Heisenberg spin chain

    NASA Astrophysics Data System (ADS)

    Frassek, Rouven; Szécsényi, István M.

    2015-12-01

    We construct Q-operators for the open spin-1/2 XXX Heisenberg spin chain with diagonal boundary matrices. The Q-operators are defined as traces over an infinite-dimensional auxiliary space involving novel types of reflection operators derived from the boundary Yang-Baxter equation. We argue that the Q-operators defined in this way are polynomials in the spectral parameter and show that they commute with transfer matrix. Finally, we prove that the Q-operators satisfy Baxter's TQ-equation and derive the explicit form of their eigenvalues in terms of the Bethe roots.

  1. Spin transport of weakly disordered Heisenberg chain at infinite temperature

    NASA Astrophysics Data System (ADS)

    Khait, Ilia; Gazit, Snir; Yao, Norman Y.; Auerbach, Assa

    2016-06-01

    We study the disordered Heisenberg spin chain, which exhibits many-body localization at strong disorder, in the weak to moderate disorder regime. A continued fraction calculation of dynamical correlations is devised, using a variational extrapolation of recurrents. Good convergence for the infinite chain limit is shown. We find that the local spin correlations decay at long times as C ˜t-β , whereas the conductivity exhibits a low-frequency power law σ ˜ωα . The exponents depict subdiffusive behavior β <1 /2 ,α >0 at all finite disorders and convergence to the scaling result α +2 β =1 at large disorders.

  2. Quantification of quantum discord in a antiferromagnetic Heisenberg compound

    SciTech Connect

    Singh, H. Chakraborty, T. Mitra, C.

    2014-04-24

    An experimental quantification of concurrence and quantum discord from heat capacity (C{sub p}) measurement performed over a solid state system has been reported. In this work, thermodynamic measurements were performed on copper nitrate (CN, Cu(NO{sub 3}){sub 2}⋅2.5H{sub 2}O) single crystals which is an alternating antiferromagnet Heisenberg spin 1/2 system. CN being a weak dimerized antiferromagnet is an ideal system to investigate correlations between spins. The theoretical expressions were used to obtain concurrence and quantum discord curves as a function of temperature from heat capacity data of a real macroscopic system, CN.

  3. Quasiparticle interactions in frustrated Heisenberg chains

    NASA Astrophysics Data System (ADS)

    Vanderstraeten, Laurens; Haegeman, Jutho; Verstraete, Frank; Poilblanc, Didier

    2016-06-01

    Interactions between elementary excitations in quasi-one-dimensional antiferromagnets are of experimental relevance and their quantitative theoretical treatment has been a theoretical challenge for many years. Using matrix product states, one can explicitly determine the wave functions of the one- and two-particle excitations, and, consequently, the contributions to dynamical correlations. We apply this framework to the (nonintegrable) frustrated dimerized spin-1/2 chain, a model for generic spin-Peierls systems, where low-energy quasiparticle excitations are bound states of topological solitons. The spin structure factor involving two quasiparticle scattering states is obtained in the thermodynamic limit with full momentum and frequency resolution. This allows very subtle features in the two-particle spectral function to be revealed which, we argue, could be seen, e.g., in inelastic neutron scattering of spin-Peierls compounds under a change of the external pressure.

  4. A DMRG approach to impurities and interactions in carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Struck, Alexander; Reyes, Sebastian; Eggert, Sebastian

    2009-03-01

    Carbon nanotubes (CNTs) are well suited to study strong electronic correlations in quasi-one-dimensional systems experimentally and theoretically. Of particular interest is the interplay of interactions between the conducting electrons and impurities in the nanotube. Impurities include the boundaries of short tubes as well as structural imperfections such as the Stone-Wales lattice distortion. Interactions can lead to different phases of the electron liquid, depending on their range and strength, and can produce quasi-localized ground states of e.g. the Mott insulator type or a charge density wave. Here we discuss a systematic approach using the density-matrix renormalization group (DMRG) method to treat a recently derived lattice model for a single-wall armchair CNT with short-range interactions and a Stone-Wales impurity. We show interaction driven modifications to the expected density patterns that can lead to anomalous Friedel oscillations around the impurity.

  5. Darboux transformation and exact solutions of the integrable Heisenberg ferromagnetic equation with self-consistent potentials

    NASA Astrophysics Data System (ADS)

    Yersultanova, Z. S.; Zhassybayeva, M.; Yesmakhanova, K.; Nugmanova, G.; Myrzakulov, R.

    2016-10-01

    Integrable Heisenberg ferromagnetic equations are an important subclass of integrable systems. The M-XCIX equation is one of a generalizations of the Heisenberg ferromagnetic equation and are integrable. In this paper, the Darboux transformation of the M-XCIX equation is constructed. Using the DT, a 1-soliton solution of the M-XCIX equation is presented.

  6. Impurity entanglement in the J-J2-δ quantum spin chain

    NASA Astrophysics Data System (ADS)

    Deschner, Andreas; Sørensen, Erik S.

    2011-10-01

    The contribution to the entanglement of an impurity attached to one end of a J-J2-δ quantum spin chain (S = 1/2) is studied. Two different measures of the impurity contribution to the entanglement have been proposed: the impurity entanglement entropy Simp and the negativity {N} . The first, Simp, is based on a subtractive procedure where the entanglement entropy in the absence of the impurity is subtracted from results with the impurity present. The other, {N} , is the negativity of a part of the system separated from the impurity and the impurity itself. In this paper we compare the two measures and discuss their similarities and the differences between them. In the J-J2-δ model it is possible to perform very precise variational calculations close to the Majumdar-Ghosh point (J2 = J/2 and δ = 0) where the system is gapped with a dimerized ground state. We describe in detail how such calculations are done and how they can be used to calculate {N} as well as Simp for any impurity coupling JK. We then study the complete crossover in the impurity entanglement as JK is varied between 0 and 1 close to the Majumdar-Ghosh point. In particular, we study the impurity entanglement when a staggered nearest neighbour interaction proportional to δ is introduced. In this case we observe a very rapid reduction in the impurity entanglement as δ is increased.

  7. Elemental Impurities in Pharmaceutical Excipients.

    PubMed

    Li, Gang; Schoneker, Dave; Ulman, Katherine L; Sturm, Jason J; Thackery, Lisa M; Kauffman, John F

    2015-12-01

    Control of elemental impurities in pharmaceutical materials is currently undergoing a transition from control based on concentrations in components of drug products to control based on permitted daily exposures in drug products. Within the pharmaceutical community, there is uncertainty regarding the impact of these changes on manufactures of drug products. This uncertainty is fueled in part by a lack of publically available information on elemental impurity levels in common pharmaceutical excipients. This paper summarizes a recent survey of elemental impurity levels in common pharmaceutical excipients as well as some drug substances. A widely applicable analytical procedure was developed and was shown to be suitable for analysis of elements that are subject to United States Pharmacopoeia Chapter <232> and International Conference on Harmonization's Q3D Guideline on Elemental Impurities. The procedure utilizes microwave-assisted digestion of pharmaceutical materials and inductively coupled plasma mass spectrometry for quantitative analysis of these elements. The procedure was applied to 190 samples from 31 different excipients and 15 samples from eight drug substances provided through the International Pharmaceutical Excipient Council of the Americas. The results of the survey indicate that, for the materials included in the study, relatively low levels of elemental impurities are present. PMID:26398581

  8. Elemental Impurities in Pharmaceutical Excipients.

    PubMed

    Li, Gang; Schoneker, Dave; Ulman, Katherine L; Sturm, Jason J; Thackery, Lisa M; Kauffman, John F

    2015-12-01

    Control of elemental impurities in pharmaceutical materials is currently undergoing a transition from control based on concentrations in components of drug products to control based on permitted daily exposures in drug products. Within the pharmaceutical community, there is uncertainty regarding the impact of these changes on manufactures of drug products. This uncertainty is fueled in part by a lack of publically available information on elemental impurity levels in common pharmaceutical excipients. This paper summarizes a recent survey of elemental impurity levels in common pharmaceutical excipients as well as some drug substances. A widely applicable analytical procedure was developed and was shown to be suitable for analysis of elements that are subject to United States Pharmacopoeia Chapter <232> and International Conference on Harmonization's Q3D Guideline on Elemental Impurities. The procedure utilizes microwave-assisted digestion of pharmaceutical materials and inductively coupled plasma mass spectrometry for quantitative analysis of these elements. The procedure was applied to 190 samples from 31 different excipients and 15 samples from eight drug substances provided through the International Pharmaceutical Excipient Council of the Americas. The results of the survey indicate that, for the materials included in the study, relatively low levels of elemental impurities are present.

  9. Impurity bubbles in a BEC

    NASA Astrophysics Data System (ADS)

    Timmermans, Eddy; Blinova, Alina; Boshier, Malcolm

    2013-05-01

    Polarons (particles that interact with the self-consistent deformation of the host medium that contains them) self-localize when strongly coupled. Dilute Bose-Einstein condensates (BECs) doped with neutral distinguishable atoms (impurities) and armed with a Feshbach-tuned impurity-boson interaction provide a unique laboratory to study self-localized polarons. In nature, self-localized polarons come in two flavors that exhibit qualitatively different behavior: In lattice systems, the deformation is slight and the particle is accompanied by a cloud of collective excitations as in the case of the Landau-Pekar polarons of electrons in a dielectric lattice. In natural fluids and gases, the strongly coupled particle radically alters the medium, e.g. by expelling the host medium as in the case of the electron bubbles in superfluid helium. We show that BEC-impurities can self-localize in a bubble, as well as in a Landau-Pekar polaron state. The BEC-impurity system is fully characterized by only two dimensionless coupling constants. In the corresponding phase diagram the bubble and Landau-Pekar polaron limits correspond to large islands separated by a cross-over region. The same BEC-impurity species can be adiabatically Feshbach steered from the Landau-Pekar to the bubble regime. This work was funded by the Los Alamos LDRD program.

  10. Effects of impurity size and heavy doping on energy-band-structure parameters of various impurity-Si systems

    NASA Astrophysics Data System (ADS)

    Van Cong, H.

    2016-04-01

    The effects of impurity size and heavy doping on energy-band-structure parameters of various donor (or acceptor)-Si systems were investigated. A satisfactory description was obtained for intrinsic properties such as: the effective dielectric constant, effective impurity ionization energy, effective intrinsic band gap, being doping-independent, and critical impurity density, Ncn(cp) GMM, which is derived from our simple generalized Mott model (GMM), as well as for extrinsic properties such as: the Fermi energy, reduced band gap, optical band gap, being doping-dependent, and critical impurity density, Ncn(cp) SSS, which is determined by our complicated spin-susceptibility-singularity (SSS) method. That gives: Ncn(cp) SSS ≡ Ncn(cp) GMM for all the studied donor (or acceptor)-Si systems.

  11. Magnetic behavior of the giant Heisenberg molecular magnet Mo_72Fe_30: Classical theory and experiment

    NASA Astrophysics Data System (ADS)

    Luban, Marshall; Modler, Robert; Axenovich, Maria; Canfield, Paul; Bud'Ko, Sergey; Schröder, Christian; Schnack, Jürgen; Müller, Achim; Kögerler, Paul; Harrison, Neil

    2001-03-01

    The Keplerate species Mo_72Fe_30 containing 30 high-spin Fe^3+ ions, is by far the largest paramagnetic molecule synthesized to date, and it serves as an effective building block and prototype for a new class of diverse molybdenum-oxygen based compounds. These substances are of importance for identifying the most pertinent criteria for the passage from microscopic to macroscopic magnetism, and for their potential as molecular-based electronic and magnetic devices. We report excellent agreement, from room temperature down to 0.1 K, and for magnetic fields up to 60 Tesla between our theoretical results based on the classical Heisenberg model and our measurements of its magnetic properties.

  12. Order in the Heisenberg pyrochlore: The magnetic structure of Gd2Ti2O7

    NASA Astrophysics Data System (ADS)

    Champion, J. D. M.; Wills, A. S.; Fennell, T.; Bramwell, S. T.; Gardner, J. S.; Green, M. A.

    2001-10-01

    The rare-earth pyrochlore material Gd2Ti2O7 is considered to be an ideal model frustrated Heisenberg antiferromagnet with additional dipolar interactions. For this system there are several untested theoretical predictions of the ground state ordering pattern. Here we establish the magnetic structure of isotopically enriched 160Gd2Ti2O7, using powder neutron diffraction at a temperature of 50 mK. The magnetic structure at this temperature is a partially ordered, noncollinear antiferromagnetic structure, with propagation vector k=121212. It can be described as a set of ``q=0'' ordered kagomé planes separated by zero interstitial moments. This magnetic structure agrees with theory only in part, leaving an interesting problem for future research.

  13. Einstein-Heisenberg consistency condition interplay with cosmological constant prediction in resummed quantum gravity

    NASA Astrophysics Data System (ADS)

    Ward, B. F. L.

    2015-10-01

    We argue that our recent success in using our resummed quantum gravity (RQG) approach to Einstein’s general theory of relativity, in the context of the Planck scale cosmology formulation of Bonanno and Reuter, to estimate the value of the cosmological constant Λ supports the use of quantum mechanical consistency requirements to constrain the main uncertainty in that very promising result. This main uncertainty, which is due to the uncertainty in the value of the time ttr at which the transition from the Planck scale cosmology to the FRW model occurs, is shown to be reduced, by requiring consistency between the Heisenberg uncertainty principle and the known properties of the solutions of Einstein’s equations, from four orders of magnitude to the level of a factor of 𝒪(10). This lends more credibility to the overall RQG approach itself, in general, and to our estimate of Λ in particular.

  14. Quantum simulation of Heisenberg spin chains with next-nearest-neighbor interactions in coupled cavities

    SciTech Connect

    Chen Zhixin; Zhou Zhengwei; Zhou Xingxiang; Zhou Xiangga; Guo Guangcan

    2010-02-15

    We propose a scheme to simulate one-dimensional XXZ-type Heisenberg spin models with competing interactions between nearest neighbors (NNs) and next NNs in photon-coupled microcavities. Our scheme exploits the rich resources and flexible controls available in such a system to realize arbitrarily adjustable ratios between the effective NN and next-NN coupling strengths. Such a powerful capability allows us to simulate frustration phenomena and disorder behaviors in one-dimensional systems arising from next-NN interactions, a large class of problems of great importance in condensed-matter physics. Our scheme is robust due to the lack of atomic excitations, which suppresses spontaneous emission and cavity decay strongly.

  15. Simulated nuclear spin-lattice relaxation in Heisenberg ferrimagnets: Indirect observation of quadratic dispersion relations

    NASA Astrophysics Data System (ADS)

    Yamamoto, Shoji

    2000-01-01

    In response to recent proton spin-relaxation time measurements on NiCu(pba)(H2O)3.2H2O with pba=1,3-propylenebis(oxamato), which is an excellent one-dimensional ferrimagnetic Heisenberg model system of spin (1,12), we study the Raman relaxation process in spin-(S,s) quantum ferrimagnets on the assumption of predominantly dipolar hyperfine interactions between protons and magnetic ions. The relaxation time T1 is formulated within the spin-wave theory and is estimated as a function of temperature and an applied field H by a quantum Monte Carlo method. The low-temperature behavior of the relaxation rate T-11 qualitatively varies with (S,s), while T-11 is almost proportional to H-1/2 due to the characteristic dispersion relations.

  16. ALUMINUM IMPURITY DIFFUSION IN MAGNESIUM

    SciTech Connect

    Brennan, Sarah; Warren, Andrew; Coffey, Kevin; Kulkarni, Nagraj S; Todd, Peter J; Sohn, Yong Ho; Klimov, Mikhail

    2012-01-01

    The Al impurity diffusion in polycrystalline Mg (99.9%) via depth profiling with secondary ion mass spectrometry was studied in the temperature range of 673-573K, utilizing the thin film method and thin film solution to the diffusion equation. Multiple samples were utilized and multiple profiles were obtained to determine statistically confident coefficient with maximum standard deviation of 16%. Activation energy and pre-exponential factor of Al impurity diffusion in Mg was determined as 155 kJ/mole and 3.9 x 10-3 m2/sec.

  17. Acetylated Lysozyme as Impurity in Lysozyme Crystals: Constant Distribution Coefficient

    NASA Technical Reports Server (NTRS)

    Thomas, B. R.; Chernov, A. A.

    2000-01-01

    Hen egg white lysozyme (HEWL) was acetylated to modify molecular charge keeping the molecular size and weight nearly constant. Two derivatives, A and B, more and less acetylated, respectively, were obtained, separated, purified and added to the solution from which crystals of tetragonal HEWL crystals were grown. Amounts of the A or B impurities added were 0.76, 0.38 and 0.1 milligram per millimeter while HEWL concentration were 20, 30 and 40 milligram per milliliter. The crystals grown in 18 experiments for each impurity were dissolved and quantities of A or B additives in these crystals were analyzed by cation exchange high performance liquid chromatography. All the data for each set of 18 samples with the different impurity and regular HEWL concentrations is well described by one distribution coefficient K = 2.15 plus or minus 0.13 for A and K = 3.42 plus or minus 0.25 for B. The observed independence of the distribution coefficient on both the impurity concentration and supersaturation is explained by the dilution model described in this paper. It shows that impurity adsorption and incorporation rate is proportional to the impurity concentration and that the growth rate is proportional to the crystallizing protein in solution. With the kinetic coefficient for crystallization, beta = 5.10(exp -7) centimeters per second, the frequency at which an impurity molecule near the growing interface irreversibly joins a molecular site on the crystal was found to be 3 1 per second, much higher than the average frequency for crystal molecules. For best quality protein crystals it is better to have low microheterogeneous protein impurity concentration and high supers aturation.

  18. Understanding the effects of dopant impurities on quaternary chalcogenide system properties by investigating and modeling local vibrational modes and Raman lineshapes

    NASA Astrophysics Data System (ADS)

    Sarswat, Prashant; Free, Michael

    2014-03-01

    Cu2ZnSnSximpurities in CZTSSe produce detrimental effects, which limit the device performance. Phonon dispersion in most of the semiconductors is found to be susceptible to the pairing between atoms within the lattice. Hence, a change in phonon dispersion can be used to investigate the effects of foreign impurities on such pairing. Thus a series of experiments were conducted to investigate the effect of free holes on the optical phonons of doped CZTSSe system as well as to evaluate asymmetry in the Raman lineshape. When irradiated with photons, doped CZTS possibly produces a continuum of inter-valence band electronic excitations, which can envelop the Raman-active phonon energy. Such overlap between the electronic continuum and discrete state can cause interference effects in CZTSSe. It was observed that Raman lineshape becomes more asymmetric, wider, and shifts towards lower frequency when laser power density increased. All these observations were found for Raman A mode as well as E (TO, LO) mode for doped CZTSSe samples.

  19. An Atomistic Modeling Study of Alloying Element Impurity Element, and Transmutation Products on the cohesion of A Nickel E5 {l_brace}001{r_brace} Twist Grain Boundary

    SciTech Connect

    G.A. Young Jr.; R. Najafabadi; W. Strohmayer; D.G. Baldrey; B. Hamm; J. Harris; J. Sticht; E. Wimmer

    2003-06-16

    Atomistic modeling methods were employed to investigate the effects of impurity elements on the metallurgy, irradiation embrittlement, and environmentally assisted cracking of nickel-base alloys exposed to nuclear environments. Calculations were performed via ab initio atomistic modeling methods to ensure the accuracy and reliability of the results. A Griffith-type fracture criterion was used to quantitatively assess the effect of elements or element pairs on the grain boundary cohesive strength. In order of most embrittling to most strengthening, the elements are ranked as: He, Li, S, H, C, Zr, P, Fe, Mn, Nb, Cr, and B. Helium is strongly embrittling (-2.04 eV/atom lowering of the Griffith energy), phosphorus has little effect on the grain boundary (0.1 eV/atom), and boron offers appreciable strengthening (1.03 eV/atom increase in the Griffith energy). Calculations for pairs of elements (H-Li, H-B, H-C, H-P, and H-S) show little interaction on the grain boundary cohesive energy, so that for the conditions studied, linear superposition of elemental effects is a good approximation. These calculations help explain metallurgical effects (e.g. why boron can strengthen grain boundaries), irradiation embrittlement (e.g. how boron transmutation results in grain boundary embrittlement), as well as how grain boundary impurity elements can affect environmentally assisted cracking (i.e. low temperature crack propagation and stress corrosion cracking) of nickel-base alloys.

  20. Control of impurities in toroidal plasma devices

    DOEpatents

    Ohkawa, Tihiro

    1980-01-01

    A method and apparatus for plasma impurity control in closed flux plasma systems such as Tokamak reactors is disclosed. Local axisymmetrical injection of hydrogen gas is employed to reverse the normally inward flow of impurities into the plasma.

  1. THE 2D HEISENBERG ANTIFERROMAGNET IN HIGH-Tc SUPERCONDUCTIVITY:. A Review of Numerical Techniques and Results

    NASA Astrophysics Data System (ADS)

    Barnes, T.

    In this article we review numerical studies of the quantum Heisenberg antiferromagnet on a square lattice, which is a model of the magnetic properties of the undoped “precursor insulators” of the high temperature superconductors. We begin with a brief pedagogical introduction and then discuss zero and nonzero temperature properties and compare the numerical results to analytical calculations and to experiment where appropriate. We also review the various algorithms used to obtain these results, and discuss algorithm developments and improvements in computer technology which would be most useful for future numerical work in this area. Finally we list several outstanding problems which may merit further investigation.

  2. Impurity transport driven by ion temperature gradient turbulence in tokamak plasmas

    SciTech Connect

    Fueloep, T.; Pusztai, I.; Braun, S.

    2010-06-15

    Impurity transport driven by electrostatic turbulence is analyzed in weakly collisional tokamak plasmas using a semianalytical model based on a boundary layer solution of the gyrokinetic equation. Analytical expressions for the perturbed density responses are derived and used to determine the stability boundaries and the quasilinear particle fluxes. For moderate impurity charge number Z, the stability boundaries are very weakly affected by the increasing impurity charge for constant effective charge, while for lower impurity charge the influence of impurities is larger, if the amount of impurities is not too small. Scalings of the mode frequencies and quasilinear fluxes with charge number, effective charge, impurity density scale length, and collisionality are determined and compared to quasilinear gyrokinetic simulations with GYRO[J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)] resulting in very good agreement. Collisions do not affect the mode frequencies, growth rates, and impurity fluxes significantly. The eigenfrequencies and growth rates depend only weakly on Z and Z{sub eff} but they are sensitive to the impurity density gradient scale length. An analytical approximate expression of the zero-flux impurity density gradient is derived and used to discuss its parametric dependencies.

  3. Impurity Effects in Highly Frustrated Diamond-Lattice Antiferromagnets

    NASA Astrophysics Data System (ADS)

    Savary, Lucile

    2012-02-01

    We consider the effects of local impurities in highly frustrated diamond lattice antiferromagnets, which exhibit large but non-extensive ground state degeneracies. Such models are appropriate to many A-site magnetic spinels. We argue very generally that sufficiently dilute impurities induce an ordered magnetic ground state, and provide a mechanism of degeneracy breaking. The states which are selected can be determined by a ``swiss cheese model'' analysis, which we demonstrate numerically for a particular impurity model in this case. Moreover, we present criteria for estimating the stability of the resulting ordered phase to a competing frozen (spin glass) one. The results may explain the contrasting finding of frozen and ordered ground states in CoAl2O4 and MnSc2S4, respectively.

  4. Impurity poloidal asymmetries and plasma rotation in the PDX Tokamak

    NASA Astrophysics Data System (ADS)

    Brau, K.

    Vertical poloidal asymmetries of carbon and oxygen in the PDX Tokamak were monitored under a variety of discharge conditions in circular plasmas. Near the edge of the plasma and in the region beyond the limiter, the asymmetries appear to be caused by local impurity recycling, variations in the length of the emitting region, and effects due to vertical ion drifts. In the case of C V impurities, the sign and magnitude of the asymmetry is in qualitative agreement with the predictions of a quasi-neoclassical fluid model of impurity transport. A two dimensional computer code is used to simulate different models of poloidal asymmetries, including: (1) poloidally asymmetric source function, (2) charge exchange recombination with neutral hydrogen, (3) poloidally asymmetric electron ensity and temperature profiles, (4) poloidally varying anomalous radial diffusion coefficient, and (5) the quasi-neoclassical fluid model.

  5. Quantum spin transistor with a Heisenberg spin chain

    NASA Astrophysics Data System (ADS)

    Marchukov, O. V.; Volosniev, A. G.; Valiente, M.; Petrosyan, D.; Zinner, N. T.

    2016-10-01

    Spin chains are paradigmatic systems for the studies of quantum phases and phase transitions, and for quantum information applications, including quantum computation and short-distance quantum communication. Here we propose and analyse a scheme for conditional state transfer in a Heisenberg XXZ spin chain which realizes a quantum spin transistor. In our scheme, the absence or presence of a control spin excitation in the central gate part of the spin chain results in either perfect transfer of an arbitrary state of a target spin between the weakly coupled input and output ports, or its complete blockade at the input port. We also discuss a possible proof-of-concept realization of the corresponding spin chain with a one-dimensional ensemble of cold atoms with strong contact interactions. Our scheme is generally applicable to various implementations of tunable spin chains, and it paves the way for the realization of integrated quantum logic elements.

  6. Quantum spin transistor with a Heisenberg spin chain

    PubMed Central

    Marchukov, O. V.; Volosniev, A. G.; Valiente, M.; Petrosyan, D.; Zinner, N. T.

    2016-01-01

    Spin chains are paradigmatic systems for the studies of quantum phases and phase transitions, and for quantum information applications, including quantum computation and short-distance quantum communication. Here we propose and analyse a scheme for conditional state transfer in a Heisenberg XXZ spin chain which realizes a quantum spin transistor. In our scheme, the absence or presence of a control spin excitation in the central gate part of the spin chain results in either perfect transfer of an arbitrary state of a target spin between the weakly coupled input and output ports, or its complete blockade at the input port. We also discuss a possible proof-of-concept realization of the corresponding spin chain with a one-dimensional ensemble of cold atoms with strong contact interactions. Our scheme is generally applicable to various implementations of tunable spin chains, and it paves the way for the realization of integrated quantum logic elements. PMID:27721438

  7. Fitting magnetic field gradient with Heisenberg-scaling accuracy

    PubMed Central

    Zhang, Yong-Liang; Wang, Huan; Jing, Li; Mu, Liang-Zhu; Fan, Heng

    2014-01-01

    The linear function is possibly the simplest and the most used relation appearing in various areas of our world. A linear relation can be generally determined by the least square linear fitting (LSLF) method using several measured quantities depending on variables. This happens for such as detecting the gradient of a magnetic field. Here, we propose a quantum fitting scheme to estimate the magnetic field gradient with N-atom spins preparing in W state. Our scheme combines the quantum multi-parameter estimation and the least square linear fitting method to achieve the quantum Cramér-Rao bound (QCRB). We show that the estimated quantity achieves the Heisenberg-scaling accuracy. Our scheme of quantum metrology combined with data fitting provides a new method in fast high precision measurements. PMID:25487218

  8. Heisenberg-limited atom clocks based on entangled qubits.

    PubMed

    Kessler, E M; Kómár, P; Bishof, M; Jiang, L; Sørensen, A S; Ye, J; Lukin, M D

    2014-05-16

    We present a quantum-enhanced atomic clock protocol based on groups of sequentially larger Greenberger-Horne-Zeilinger (GHZ) states that achieves the best clock stability allowed by quantum theory up to a logarithmic correction. Importantly the protocol is designed to work under realistic conditions where the drift of the phase of the laser interrogating the atoms is the main source of decoherence. The simultaneous interrogation of the laser phase with a cascade of GHZ states realizes an incoherent version of the phase estimation algorithm that enables Heisenberg-limited operation while extending the coherent interrogation time beyond the laser noise limit. We compare and merge the new protocol with existing state of the art interrogation schemes, and identify the precise conditions under which entanglement provides an advantage for clock stabilization: it allows a significant gain in the stability for short averaging time.

  9. Werner Heisenberg zum 100. Geburtstag: Pionier der Quantenmechanik

    NASA Astrophysics Data System (ADS)

    Jacobi, Manfred

    2001-11-01

    Werner Heisenberg war eine der prägendsten Gestalten der Physik des 20. Jahrhunderts. Zu seinen wichtigsten Verdiensten gehören die Grundlegung der Quantenmechanik, die Formulierung der Unschärferelationen sowie die Beteiligung an der Ausarbeitung der Kopenhagener Deutung der Quantenmechanik. Darüber hinaus lieferte er Arbeiten von fundamentalem Charakter zur Theorie des Atomkerns, zur kosmischen Strahlung und zur Quantenfeldtheorie. Während des Krieges war er an den Arbeiten des Uranvereins beteiligt, der die Möglichkeit einer Entwicklung von Kernwaffen untersuchte, jedoch über Vorarbeiten zur Reaktorphysik nicht hinauskam. Wegen dieser Tätigkeit wurde er bei Kriegsende für einige Monate in England interniert. Nach seiner Rückkehr widmete er sich vor allem dem Aufbau der Physik in Deutschland, die während der NS-Zeit nahezu ihrer gesamten Substanz beraubt worden war.

  10. 3D Ordering in 2D Quantum Heisenberg Antiferromagnets

    NASA Astrophysics Data System (ADS)

    Landee, C. P.; Woodward, F. M.; Giantsidis, J.; Turnbull, M. M.

    2000-03-01

    The family of 2D quantum Heisenberg antiferromagnets (5-ZAP)_2CuX4 consists of CuX_4^2- dianions packed together in magnetically square layers, interacting through X\\cdotsX contacts (X = Cl, Br). The strength of both the intralayer interaction J and interlayer interaction J^' are controlled by the substituent Z in the 5-position of 5-Z, 2-aminopyridine. The 3D critical temperature TN is a function of the J^'/J ratio and consequently is also subject to control by the Z-substituent. Previously we have reported on the compounds with Z = Cl (5-CAP), and Z = methyl (5-MAP). We have now prepared the isomorphous 5-bromo analogue (5-BAP)_2CuX4 and will discuss the T_N/J ratios for all three compounds in terms of the structural parameters.

  11. Heisenberg-limited atom clocks based on entangled qubits.

    PubMed

    Kessler, E M; Kómár, P; Bishof, M; Jiang, L; Sørensen, A S; Ye, J; Lukin, M D

    2014-05-16

    We present a quantum-enhanced atomic clock protocol based on groups of sequentially larger Greenberger-Horne-Zeilinger (GHZ) states that achieves the best clock stability allowed by quantum theory up to a logarithmic correction. Importantly the protocol is designed to work under realistic conditions where the drift of the phase of the laser interrogating the atoms is the main source of decoherence. The simultaneous interrogation of the laser phase with a cascade of GHZ states realizes an incoherent version of the phase estimation algorithm that enables Heisenberg-limited operation while extending the coherent interrogation time beyond the laser noise limit. We compare and merge the new protocol with existing state of the art interrogation schemes, and identify the precise conditions under which entanglement provides an advantage for clock stabilization: it allows a significant gain in the stability for short averaging time. PMID:24877919

  12. Energy dynamics in the Heisenberg-Kitaev spin chain

    NASA Astrophysics Data System (ADS)

    Steinigeweg, Robin; Brenig, Wolfram

    2016-06-01

    We study the Heisenberg-Kitaev spin chain in order to uncover the interplay between two qualitatively different integrable points in the physics of heat transport in one dimension. Focusing on high temperatures and using analytical as well as numerical approaches within linear response theory, we explore several directions in parameter space including exchange-coupling ratios, anisotropies, and external magnetic fields. We show the emergence of purely ballistic energy transport at all integrable points, manifest in pronounced Drude weights and low-frequency suppression of regular-conductivity contributions. Moreover, off integrability, we find extended quantum chaotic regions with vanishing Drude weights and well-defined dc conductivities. In the vicinity of the Kitaev point, we observe clear signatures of the topological gap in the response function. This gap coexists with a nonzero Drude weight in the Kitaev chain.

  13. Unified molecular field theory for collinear and noncollinear Heisenberg antiferromagnets

    SciTech Connect

    Johnston, David C.

    2015-02-27

    In this study, a unified molecular field theory (MFT) is presented that applies to both collinear and planar noncollinear Heisenberg antiferromagnets (AFs) on the same footing. The spins in the system are assumed to be identical and crystallographically equivalent. This formulation allows calculations of the anisotropic magnetic susceptibility χ versus temperature T below the AF ordering temperature TN to be carried out for arbitrary Heisenberg exchange interactions Jij between arbitrary neighbors j of a given spin i without recourse to magnetic sublattices. The Weiss temperature θp in the Curie-Weiss law is written in terms of the Jij values and TN in terms of the Jij values and an assumed AF structure. Other magnetic and thermal properties are then expressed in terms of quantities easily accessible from experiment as laws of corresponding states for a given spin S. For collinear ordering these properties are the reduced temperature t=T/TN, the ratio f = θp/TN, and S. For planar noncollinear helical or cycloidal ordering, an additional parameter is the wave vector of the helix or cycloid. The MFT is also applicable to AFs with other AF structures. The MFT predicts that χ(T ≤ TN) of noncollinear 120° spin structures on triangular lattices is isotropic and independent of S and T and thus clarifies the origin of this universally observed behavior. The high-field magnetization and heat capacity for fields applied perpendicular to the ordering axis (collinear AFs) and ordering plane (planar noncollinear AFs) are also calculated and expressed for both types of AF structures as laws of corresponding states for a given S, and the reduced perpendicular field versus reduced temperature phase diagram is constructed.

  14. Unified molecular field theory for collinear and noncollinear Heisenberg antiferromagnets

    DOE PAGESBeta

    Johnston, David C.

    2015-02-27

    In this study, a unified molecular field theory (MFT) is presented that applies to both collinear and planar noncollinear Heisenberg antiferromagnets (AFs) on the same footing. The spins in the system are assumed to be identical and crystallographically equivalent. This formulation allows calculations of the anisotropic magnetic susceptibility χ versus temperature T below the AF ordering temperature TN to be carried out for arbitrary Heisenberg exchange interactions Jij between arbitrary neighbors j of a given spin i without recourse to magnetic sublattices. The Weiss temperature θp in the Curie-Weiss law is written in terms of the Jij values and TNmore » in terms of the Jij values and an assumed AF structure. Other magnetic and thermal properties are then expressed in terms of quantities easily accessible from experiment as laws of corresponding states for a given spin S. For collinear ordering these properties are the reduced temperature t=T/TN, the ratio f = θp/TN, and S. For planar noncollinear helical or cycloidal ordering, an additional parameter is the wave vector of the helix or cycloid. The MFT is also applicable to AFs with other AF structures. The MFT predicts that χ(T ≤ TN) of noncollinear 120° spin structures on triangular lattices is isotropic and independent of S and T and thus clarifies the origin of this universally observed behavior. The high-field magnetization and heat capacity for fields applied perpendicular to the ordering axis (collinear AFs) and ordering plane (planar noncollinear AFs) are also calculated and expressed for both types of AF structures as laws of corresponding states for a given S, and the reduced perpendicular field versus reduced temperature phase diagram is constructed.« less

  15. Unified molecular field theory for collinear and noncollinear Heisenberg antiferromagnets

    NASA Astrophysics Data System (ADS)

    Johnston, David C.

    2015-02-01

    A unified molecular field theory (MFT) is presented that applies to both collinear and planar noncollinear Heisenberg antiferromagnets (AFs) on the same footing. The spins in the system are assumed to be identical and crystallographically equivalent. This formulation allows calculations of the anisotropic magnetic susceptibility χ versus temperature T below the AF ordering temperature TN to be carried out for arbitrary Heisenberg exchange interactions Ji j between arbitrary neighbors j of a given spin i without recourse to magnetic sublattices. The Weiss temperature θp in the Curie-Weiss law is written in terms of the Ji j values and TN in terms of the Ji j values and an assumed AF structure. Other magnetic and thermal properties are then expressed in terms of quantities easily accessible from experiment as laws of corresponding states for a given spin S . For collinear ordering these properties are the reduced temperature t =T /TN , the ratio f =θp/TN , and S . For planar noncollinear helical or cycloidal ordering, an additional parameter is the wave vector of the helix or cycloid. The MFT is also applicable to AFs with other AF structures. The MFT predicts that χ (T ≤TN) of noncollinear 120∘ spin structures on triangular lattices is isotropic and independent of S and T and thus clarifies the origin of this universally observed behavior. The high-field magnetization and heat capacity for fields applied perpendicular to the ordering axis (collinear AFs) and ordering plane (planar noncollinear AFs) are also calculated and expressed for both types of AF structures as laws of corresponding states for a given S , and the reduced perpendicular field versus reduced temperature phase diagram is constructed.

  16. Fundamental aspects of metallic impurities and impurity interactions in silicon during device processing

    SciTech Connect

    Graff, K.

    1995-08-01

    A review on the behavior of metallic impurities in silicon can be considerably simplified by a restriction on pure, dislocation-free, monocrystalline silicon. In this case interactions between different impurities and between impurities and grown-in lattice defects can be reduced. This restriction is observed in Chapter 1 for discussing the general behavior of metallic impurities in silicon.

  17. Modeling of impurity spectroscopy in the divertor and SOL of DIII-D using the 1D multifluid model NEWT1D

    SciTech Connect

    West, W.P.; Evans, T.E.; Brooks, N.H.

    1996-10-01

    NEWT1D, a one dimensional multifluid model of the scrape-off layer and divertor plasma, has been used to model the plasma including the distribution of carbon ionization states in the SOL and divertor of ELMing H-mode at two injected power levels in DIII-D. Comparison of the code predictions to the measured divertor and scrape-off layer (SOL) plasma density and temperature shows good agreement. Comparison of the predicted line emissions to the spectroscopic data suggests that physically sputtered carbon from the strike point is not transported up the flux tube; a distributed source of carbon a few centimeters up the flux tube is required to achieve reasonable agreement.

  18. Entanglement in quantum impurity problems is nonperturbative

    NASA Astrophysics Data System (ADS)

    Saleur, H.; Schmitteckert, P.; Vasseur, R.

    2013-08-01

    We study the entanglement entropy of a region of length 2L with the remainder of an infinite one-dimensional gapless quantum system in the case where the region is centered on a quantum impurity. The coupling to this impurity is not scale invariant, and the physics involves a crossover between weak- and strong-coupling regimes. While the impurity contribution to the entanglement has been computed numerically in the past, little is known analytically about it, since in particular the methods of conformal invariance cannot be applied because of the presence of a crossover length. We show in this paper that the small coupling expansion of the entanglement entropy in this problem is quite generally plagued by strong infrared divergences, implying a nonperturbative dependence on the coupling. The large coupling expansion turns out to be better behaved, thanks to powerful results from the boundary CFT formulation and, in some cases, the underlying integrability of the problem. However, it is clear that this expansion does not capture well the crossover physics. In the integrable case—which includes problems such as an XXZ chain with a modified link, the interacting resonant level model or the anisotropic Kondo model—a nonperturbative approach is in principle possible using form factors. We adapt in this paper the ideas of Cardy [J. Stat. Phys.JSTPBS0022-471510.1007/s10955-007-9422-x 130, 129 (2008)] and Castro-Alvaredo and Doyon [J. Stat. Phys.JSTPBS0022-471510.1007/s10955-008-9664-2 134, 105 (2009)] to the gapless case and show that, in the rather simple case of the resonant level model, and after some additional renormalizations, the form-factors approach yields remarkably accurate results for the entanglement all the way from short to large distances. This is confirmed by detailed comparison with numerical simulations. Both our form factor and numerical results are compatible with a nonperturbative form at short distance.

  19. Observation of impurity accumulation and concurrent impurity influx in PBX

    SciTech Connect

    Sesnic, S.S.; Fonck, R.J.; Ida, K.; Bol, K.; Couture, P.; Gammel, G.; Kaita, R.; Kaye, S.; Kugel, H.; LeBlanc, B.

    1986-07-01

    Impurity studies in L- and H-mode discharges in PBX have shown that both types of discharges can evolve into either an impurity accumulative or nonaccumulative case. In a typical accumulative discharge, Zeff peaks in the center to values of about 5. The central metallic densities can be high, n/sub met//n/sub e/ approx. = 0.01, resulting in central radiated power densities in excess of 1 W/cm/sup 3/, consistent with bolometric estimates. The radial profiles of metals obtained independently from the line radiation in the soft x-ray and the VUV regions are very peaked. Concurrent with the peaking, an increase in the impurity influx coming from the edge of the plasma is observed. At the beginning of the accumulation phase the inward particle flux for titanium has values of 6 x 10/sup 10/ and 10 x 10/sup 10/ particles/cm/sup 2/s at minor radii of 6 and 17 cm. At the end of the accumulation phase, this particle flux is strongly increased to values of 3 x 10/sup 12/ and 1 x 10/sup 12/ particles/cm/sup 2/s. This increased flux is mainly due to influx from the edge of the plasma and to a lesser extent due to increased convective transport. Using the measured particle flux, an estimate of the diffusion coefficient D and the convective velocity v is obtained.

  20. Anomalous impurity ion heating from Alfvenic cascade in the reversed field pinch

    SciTech Connect

    Tangri, Varun; Terry, P. W.; Fiksel, Gennady

    2008-11-15

    Anomalous ion and impurity heating in reversed field pinch plasmas is addressed. Previous work [N. Mattor et al., Comments Plasma Phys. Controlled Fusion 15, 65 (1992)], which calculated the heating of bulk ions by gyro and Landau resonances with turbulent fluctuations cascading from unstable tearing modes, is extended to impurity species measured in Madison symmetric torus (MST). The heavier mass of impurities allows gyro-resonant heating at lower frequencies where more energy is present in the fluctuations. A 0D transport model is used to examine heating rates under various time-dependent, experimental heating scenarios, such as a sawtooth crash. Impurity heating rates calculated for impurities found in MST are comparable to observed rates inferred in the impurity temperature rise during sawtooth events.

  1. Magnetic interactions between vacancy-induced intrinsic magnetic impurities in single-wall carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Kong, Xiao; He, Jing; Li, Yang; Kou, Su-Peng; Liang, Ying

    2016-09-01

    Spin-half paramagnetism induced by point detects was found in graphene recently, micromechanism of this magnetic response can be explained well by the intrinsic magnetic impurity theory. In this paper, we apply this theory to two types of single-walled carbon nanotubes (SWCNs) and calculate the properties of various magnetic interactions for comparison. Interestingly, magnetic interactions have different behaviors in these systems. Following our calculation, within a short length, the interactions can be suppressed by ether size effect or a tiny band gap, and then exhibit exponentially decaying. However, in the absence of a band gap, the RKKY interaction could leave a tiny tail at long range, which determines long range magnetic order. Further more, when a tiny band gap exist in the systems, the Heisenberg coupling is the dominate one due to the expanded wavefunction. According to these result, vacancy states in different types of SWCNs could form different magnetic order, bringing abundant candidates for application.

  2. Controlling dynamical thermal transport of biased bilayer graphene by impurity atoms

    NASA Astrophysics Data System (ADS)

    Rezania, Hamed; Yarmohammadi, Mohsen

    2016-07-01

    We address the dynamical thermal conductivity of biased bilayer graphene doped with acceptor impurity atoms for AA-stacking in the context of tight binding model Hamiltonian. The effect of scattering by dilute charged impurities is discussed in terms of the self-consistent Born approximation. Green's function approach has been exploited to find the behavior of thermal conductivity of bilayer graphene within the linear response theory. We have found the frequency dependence of thermal conductivity for different values of concentration and scattering strength of dopant impurity. Also the dependence of thermal conductivity on the impurity concentration and bias voltage has been investigated in details.

  3. The Effects of Impurities on Protein Crystal Growth and Nucleation: A Preliminary Study

    NASA Technical Reports Server (NTRS)

    Schall, Constance A.

    1998-01-01

    Kubota and Mullin (1995) devised a simple model to account for the effects of impurities on crystal growth of small inorganic and organic molecules in aqueous solutions. Experimentally, the relative step velocity and crystal growth of these molecules asymptotically approach zero or non-zero values with increasing concentrations of impurities. Alternatively, the step velocity and crystal growth can linearly approach zero as the impurity concentration increases. The Kubota-Mullin model assumes that the impurity exhibits Langmuirian adsorption onto the crystal surface. Decreases in step velocities and subsequent growth rates are related to the fractional coverage (theta) of the crystal surface by adsorbed impurities; theta = Kx / (I +Kx), x = mole fraction of impurity in solution. In the presence of impurities, the relative step velocity, V/Vo, and the relative growth rate of a crystal face, G/Go, are proposed to conform to the following equations: V/Vo approx. = G/Go = 1 - (alpha)(theta). The adsorption of impurity is assumed to be rapid and in quasi-equilibrium with the crystal surface sites available. When the value of alpha, an effectiveness factor, is one the growth will asymptotically approach zero with increasing concentrations of impurity. At values less than one, growth approaches a non-zero value asymptotically. When alpha is much greater than one, there will be a linear relationship between impurity concentration and growth rates. Kubota and Mullin expect alpha to decrease with increasing supersaturation and shrinking size of a two dimensional nucleus. It is expected that impurity effects on protein crystal growth will exhibit behavior similar to that of impurities in small molecule growth. A number of proteins were added to purified chicken egg white lysozyme, the effect on crystal nucleation and growth assessed.

  4. Control of impurity concentration in liquid metals by neutron scattering

    SciTech Connect

    Morozov, V. A.; Novikov, A. G.; Savostin, V. V.

    2011-12-15

    A technique is proposed for determining the impurity concentration in liquid metal-impurity systems. This technique does not require special measurements or geometry: information about the impurity concentration can be obtained directly from the data collected during the diffraction experiment. The impurity concentrations in a lead melt with a potassium impurity and in a sodium melt with a lead impurity are determined.

  5. Self-pumping impurity control

    DOEpatents

    Brooks, J.N.; Mattas, R.F.

    1983-12-21

    It is an object of the present invention to provide an apparatus for removing impurities from the plasma in a fusion reactor without an external vacuum pumping system. It is also an object of the present invention to provide an apparatus for removing the helium ash from a fusion reactor. It is another object of the present invention to provide an apparatus which removes helium ash and minimizes tritium recycling and inventory.

  6. Screening for impurities in butoprozine.

    PubMed

    Drenth, B F; Jagersma, T; Wormeester, A J; de Zeeuw, R A

    1983-08-26

    The purity analysis of butoprozine is described. Both gas chromatography-mass spectrometry (GC-MS) and high pressure liquid chromatography (HPLC) with UV-vis detection (conventional and multichannel) were used. In the butoprozine example disadvantages for both techniques became apparent: incorrect conclusions with regard to the purity of the drug would have been drawn if only one of these chromatographic techniques had been used. GC-MS allowed the identification of an impurity not found by HPLC. PMID:6622208

  7. Impurity diffusion in transition-metal oxides

    SciTech Connect

    Peterson, N.L.

    1982-06-01

    Intrinsic tracer impurity diffusion measurements in ceramic oxides have been primarily confined to CoO, NiO, and Fe/sub 3/O/sub 4/. Tracer impurity diffusion in these materials and TiO/sub 2/, together with measurements of the effect of impurities on tracer diffusion (Co in NiO and Cr in CoO), are reviewed and discussed in terms of impurity-defect interactions and mechanisms of diffusion. Divalent impurities in divalent solvents seem to have a weak interaction with vacancies whereas trivalent impurities in divalent solvents strongly influence the vacancy concentrations and significantly reduce solvent jump frequencies near a trivalent impurity. Impurities with small ionic radii diffuse more slowly with a larger activation energy than impurities with larger ionic radii for all systems considered in this review. Cobalt ions (a moderate size impurity) diffuse rapidly along the open channels parallel to the c-axis in TiO/sub 2/ whereas chromium ions (a smaller-sized impurity) do not. 60 references, 11 figures.

  8. Gaseous trace impurity analyzer and method

    DOEpatents

    Edwards, Jr., David; Schneider, William

    1980-01-01

    Simple apparatus for analyzing trace impurities in a gas, such as helium or hydrogen, comprises means for drawing a measured volume of the gas as sample into a heated zone. A segregable portion of the zone is then chilled to condense trace impurities in the gas in the chilled portion. The gas sample is evacuated from the heated zone including the chilled portion. Finally, the chilled portion is warmed to vaporize the condensed impurities in the order of their boiling points. As the temperature of the chilled portion rises, pressure will develop in the evacuated, heated zone by the vaporization of an impurity. The temperature at which the pressure increase occurs identifies that impurity and the pressure increase attained until the vaporization of the next impurity causes a further pressure increase is a measure of the quantity of the preceding impurity.

  9. Adiabatic demagnetization of the antiferromagnetic spin-1/2 Heisenberg hexagonal cluster

    NASA Astrophysics Data System (ADS)

    Deb, Moumita; Ghosh, Asim Kumar

    2016-05-01

    Exact analytic expressions of eigenvalues of the antiferromagnetic spin-1/2 Heisenberg hexagon in the presence of uniform magnetic field have been obtained. Magnetization process, nature of isentrops and properties of magneto caloric effect in terms of adiabatic demagnetization have been investigated. Theoretical results have been used to study the magneto caloric effect of the spin-1/2 Heisenberg hexagonal compound Cu3WO6.

  10. Werner Heisenberg and Carl Friedrich Freiherr von Weizsäcker: A Fifty-Year Friendship*

    NASA Astrophysics Data System (ADS)

    Cassidy, David C.

    2015-03-01

    This paper follows Werner Heisenberg and Carl Friedrich von Weizsäcker during their fifty-year friendship from 1926, when they first met in Copenhagen, to Heisenberg's death in Munich in 1976. The relationship underwent profound changes during that period, as did physics, philosophy, and German society and politics, all of which exerted important influences on their lives, work, and interactions with each other. The nature of these developments and their impact are explored in this paper.

  11. The Heisenberg-Euler Lagrangian as an example of an effective field theory

    NASA Astrophysics Data System (ADS)

    Dittrich, Walter

    2014-10-01

    We review the beginning of the effective Lagrangian in QED that was first introduced in the literature by W. Heisenberg and H. Euler in 1936. Deviating from their way of calculating the one-loop effective correction to the classical Maxwell Lagrangian, we use Green's functions and adopt the Fock-Schwinger proper-time method. The important role of the Heisenberg-Euler effective Lagrangian is explicitly demonstrated for low-energy photon-photon processes.

  12. Strongly correlated flat-band systems: The route from Heisenberg spins to Hubbard electrons

    NASA Astrophysics Data System (ADS)

    Derzhko, Oleg; Richter, Johannes; Maksymenko, Mykola

    2015-05-01

    On a large class of lattices (such as the sawtooth chain, the kagome and the pyrochlore lattices), the quantum Heisenberg and the repulsive Hubbard models may host a completely dispersionless (flat) energy band in the single-particle spectrum. The flat-band states can be viewed as completely localized within a finite volume (trap) of the lattice and allow for construction of many-particle states, roughly speaking, by occupying the traps with particles. If the flat-band happens to be the lowest-energy one, the manifold of such many-body states will often determine the ground-state and low-temperature physics of the models at hand even in the presence of strong interactions. The localized nature of these many-body states makes possible the mapping of this subset of eigenstates onto a corresponding classical hard-core system. As a result, the ground-state and low-temperature properties of the strongly correlated flat-band systems can be analyzed in detail using concepts and tools of classical statistical mechanics (e.g., classical lattice-gas approach or percolation approach), in contrast to more challenging quantum many-body techniques usually necessary to examine strongly correlated quantum systems. In this review, we recapitulate the basic features of the flat-band spin systems and briefly summarize earlier studies in the field. The main emphasis is made on recent developments which include results for both spin and electron flat-band models. In particular, for flat-band spin systems, we highlight field-driven phase transitions for frustrated quantum Heisenberg antiferromagnets at low temperatures, chiral flat-band states, as well as the effect of a slight dispersion of a previously strictly flat-band due to nonideal lattice geometry. For electronic systems, we discuss the universal low-temperature behavior of several flat-band Hubbard models, the emergence of ground-state ferromagnetism in the square-lattice Tasaki-Hubbard model and the related Pauli

  13. Topological phases of the Kitaev-Hubbard model at half filling

    NASA Astrophysics Data System (ADS)

    Faye, J. P. L.; Sénéchal, D.; Hassan, S. R.

    2014-03-01

    The Kitaev-Hubbard model of interacting fermions is defined on the honeycomb lattice and, at strong coupling, interpolates between the Heisenberg model and the Kitaev model. It is basically a Hubbard model with ordinary hopping t and spin-dependent hopping t'. We study this model in the weak to intermediate coupling regime, at half filling, using the cellular dynamical impurity approximation (CDIA), an approach related to dynamical mean field theory but based on Potthoff's variational principle. We identify four phases in the (U,t') plane: two semimetallic phases with different numbers of Dirac points, an antiferromagnetic insulator, and an algebraic spin liquid. The last two are separated by a first-order transition. These four phases all meet at a single point and could be realized in cold atom systems.

  14. Electromagnetic effects on trace impurity transport in tokamak plasmas

    SciTech Connect

    Hein, T.; Angioni, C.

    2010-01-15

    The impact of electromagnetic effects on the transport of light and heavy impurities in tokamak plasmas is investigated by means of an extensive set of linear gyrokinetic numerical calculations with the code GYRO[J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)] and of analytical derivations with a fluid model. The impurity transport is studied by appropriately separating diffusive and convective contributions, and conditions of background microturbulence dominated by both ion temperature gradient (ITG) and trapped electron modes (TEMs) are analyzed. The dominant contribution from magnetic flutter transport turns out to be of pure convective type. However it remains small, below 10% with respect to the ExB transport. A significant impact on the impurity transport due to an increase in the plasma normalized pressure parameter beta is observed in the case of ITG modes, while for TEM the overall effect remains weak. In realistic conditions of high beta plasmas in the high confinement (H-) mode with dominant ITG turbulence, the impurity diffusivity is found to decrease with increasing beta in qualitative agreement with recent observations in tokamaks. In contrast, in these conditions, the ratio of the total off-diagonal convective velocity to the diagonal diffusivity is not strongly affected by an increase in beta, particularly at low impurity charge, due to a compensation between the different off-diagonal contributions.

  15. EFFECT OF FUEL IMPURITIES ON FUEL CELL PERFORMANCE AND DURABILITY

    SciTech Connect

    Colon-Mercado, H.

    2010-09-28

    A fuel cell is an electrochemical energy conversion device that produces electricity during the combination of hydrogen and oxygen to produce water. Proton exchange membranes fuel cells are favored for portable applications as well as stationary ones due to their high power density, low operating temperature, and low corrosion of components. In real life operation, the use of pure fuel and oxidant gases results in an impractical system. A more realistic and cost efficient approach is the use of air as an oxidant gas and hydrogen from hydrogen carriers (i.e., ammonia, hydrocarbons, hydrides). However, trace impurities arising from different hydrogen sources and production increases the degradation of the fuel cell. These impurities include carbon monoxide, ammonia, sulfur, hydrocarbons, and halogen compounds. The International Organization for Standardization (ISO) has set maximum limits for trace impurities in the hydrogen stream; however fuel cell data is needed to validate the assumption that at those levels the impurities will cause no degradation. This report summarizes the effect of selected contaminants tested at SRNL at ISO levels. Runs at ISO proposed concentration levels show that model hydrocarbon compound such as tetrahydrofuran can cause serious degradation. However, the degradation is only temporary as when the impurity is removed from the hydrogen stream the performance completely recovers. Other molecules at the ISO concentration levels such as ammonia don't show effects on the fuel cell performance. On the other hand carbon monoxide and perchloroethylene shows major degradation and the system can only be recovered by following recovery procedures.

  16. Impurity Transport in a Simulated Gas Target Divertor

    NASA Astrophysics Data System (ADS)

    Blush, L. M.; Luckhardt, S.; Seraydarian, R.; Whyte, D.; Conn, R. W.; Schmitz, L.

    1997-11-01

    Previous simulated gas target divertor experiments in the PISCES-A linear plasma device (n <= 3 × 10^19 m-3, kTe <= 20 eV) indicated enhanced impurity retention near the target in comparison to a high recycling divertor regime. A 1 1\\over2-D fluid modeling code suggested that impurities are impeded from transporting away from the target by friction with the neutral and ionized hydrogen. In recent experiments with a PISCES-A ``slot-type'' divertor configuration, we have implemented a spectroscopic detection system to measure the axial density profiles of several impurity charge states. Moreover, we envision adding two extended cylindrical baffles spanning a pumped vacuum section to achieve strong differential pumping. This arrangement will isolate the plasma source from the gas target region and allow us to seed the background hydrogen plasma with higher impurities concentrations and investigate a regime dominated by impurity radiation. In preliminary design experiments, PISCES-A was successfully operated with an electrically isolated, copper baffle (d=5 cm, l=33.5 cm) mounted to reduce the vacuum conductance between the source and target regions. This work supported by US-DoE contract DE-FG03-95ER-54301.

  17. Phase diagram of the alternating-spin Heisenberg chain with extra isotropic three-body exchange interactions

    NASA Astrophysics Data System (ADS)

    Ivanov, Nedko B.; Ummethum, Jörg; Schnack, Jürgen

    2014-10-01

    For the time being isotropic three-body exchange interactions are scarcely explored and mostly used as a tool for constructing various exactly solvable one-dimensional models, although, generally speaking, such competing terms in generic Heisenberg spin systems can be expected to support specific quantum effects and phases. The Heisenberg chain constructed from alternating S = 1 and σ = 1/2 site spins defines a realistic prototype model admitting extra three-body exchange terms. Based on numerical density-matrix renormalization group (DMRG) and exact diagonalization (ED) calculations, we demonstrate that the additional isotropic three-body terms stabilize a variety of partially-polarized states as well as two specific non-magnetic states including a critical spin-liquid phase controlled by two Gaussinal conformal theories as well as a critical nematic-like phase characterized by dominant quadrupolar S-spin fluctuations. Most of the established effects are related to some specific features of the three-body interaction such as the promotion of local collinear spin configurations and the enhanced tendency towards nearest-neighbor clustering of the spins. It may be expected that most of the predicted effects of the isotropic three-body interaction persist in higher space dimensions.

  18. Charge dependence of neoclassical and turbulent transport of light impurities on MAST

    NASA Astrophysics Data System (ADS)

    Henderson, S. S.; Garzotti, L.; Casson, F. J.; Dickinson, D.; O'Mullane, M.; Patel, A.; Roach, C. M.; Summers, H. P.; Tanabe, H.; Valovič, M.; the MAST Team

    2015-09-01

    Carbon and nitrogen impurity transport coefficients are determined from gas puff experiments carried out during repeat L-mode discharges on the Mega-Amp Spherical Tokamak (MAST) and compared against a previous analysis of helium impurity transport on MAST. The impurity density profiles are measured on the low-field side of the plasma, therefore this paper focuses on light impurities where the impact of poloidal asymmetries on impurity transport is predicted to be negligible. A weak screening of carbon and nitrogen is found in the plasma core, whereas the helium density profile is peaked over the entire plasma radius. Both carbon and nitrogen experience a diffusivity of the order of 10 m2s-1 and a strong inward convective velocity of ˜40 m s-1 near the plasma edge, and a region of outward convective velocity at mid-radius. The measured impurity transport coefficients are consistent with neoclassical Banana-Plateau predictions within ρ ≤slant 0.4 . Quasi-linear gyrokinetic predictions of the carbon and helium particle flux at two flux surfaces, ρ =0.6 and ρ =0.7 , suggest that trapped electron modes are responsible for the anomalous impurity transport observed in the outer regions of the plasma. The model, combining neoclassical transport with quasi-linear turbulence, is shown to provide reasonable estimates of the impurity transport coefficients and the impurity charge dependence.

  19. Orientation-dependent impurity partitioning of colloidal crystals

    NASA Astrophysics Data System (ADS)

    Nozawa, Jun; Uda, Satoshi; Hu, Sumeng; Fujiwara, Kozo; Koizumi, Haruhiko

    2016-04-01

    Impurity partitioning during colloidal crystallization was investigated for grains with different orientations. Particles of various sizes were doped as impurities during the growth of colloidal polycrystals. The effective partition coefficient, keff, which is the impurity concentration in the solid (CS) divided by that in initial solution (CL), was measured for grains oriented in the [111] and [100] directions normal to the growth direction. The [111]-oriented grains were found to have a larger keff than [100]-oriented grains. This was analyzed by using the Thurmond and Struthers model. Though both [111]- and [100]-oriented grains were face centered cubic (fcc) structures, within several layers of crystals, the volume fraction of [111]-oriented grains was larger than that of [100]-oriented grains, yielding a larger driving force for nucleation, ΔGTr, and thus a larger equilibrium partition coefficient, k0, for [111]-oriented grains.

  20. A real-time impurity solver for DMFT

    NASA Astrophysics Data System (ADS)

    Kim, Hyungwon; Aron, Camille; Han, Jong E.; Kotliar, Gabriel

    Dynamical mean-field theory (DMFT) offers a non-perturbative approach to problems with strongly correlated electrons. The method heavily relies on the ability to numerically solve an auxiliary Anderson-type impurity problem. While powerful Matsubara-frequency solvers have been developed over the past two decades to tackle equilibrium situations, the status of real-time impurity solvers that could compete with Matsubara-frequency solvers and be readily generalizable to non-equilibrium situations is still premature. We present a real-time solver which is based on a quantum Master equation description of the dissipative dynamics of the impurity and its exact diagonalization. As a benchmark, we illustrate the strengths of our solver in the context of the equilibrium Mott-insulator transition of the one-band Hubbard model and compare it with iterative perturbation theory (IPT) method. Finally, we discuss its direct application to a nonequilibrium situation.

  1. Studies on a frustrated Heisenberg spin chain with alternating ferromagnetic and antiferromagnetic exchanges.

    PubMed

    Sahoo, Shaon; Durga Prasad Goli, V M L; Sen, Diptiman; Ramasesha, S

    2014-07-01

    We study Heisenberg spin-1/2 and spin-1 chains with alternating ferromagnetic (J(F)(1)) and antiferromagnetic (J(A)(1)) nearest-neighbor interactions and a ferromagnetic next-nearest-neighbor interaction (J(F)(2)). In this model frustration is present due to the non-zero J(F)(2). The model with site spin s behaves like a Haldane spin chain, with site spin 2s in the limit of vanishing J(F)(2)and large J(F)(1)/J(A)(1). We show that the exact ground state of the model can be found along a line in the parameter space. For fixed J(F)(1), the phase diagram in the space of J(A)(1)-J(F)(2) is determined using numerical techniques complemented by analytical calculations. A number of quantities, including the structure factor, energy gap, entanglement entropy and zero temperature magnetization, are studied to understand the complete phase diagram. An interesting and potentially important feature of this model is that it can exhibit a macroscopic magnetization jump in the presence of a magnetic field; we study this using an effective Hamiltonian. PMID:24935169

  2. Formation and Stability of Impurity "snakes" in Tokamak Plasmas

    SciTech Connect

    L. Delgado-Aparicio, et. al.

    2013-01-28

    New observations of the formation and dynamics of long-lived impurity-induced helical "snake" modes in tokamak plasmas have recently been carried-out on Alcator C-Mod. The snakes form as an asymmetry in the impurity ion density that undergoes a seamless transition from a small helically displaced density to a large crescent-shaped helical structure inside q < 1, with a regularly sawtoothing core. The observations show that the conditions for the formation and persistence of a snake cannot be explained by plasma pressure alone. Instead, many features arise naturally from nonlinear interactions in a 3D MHD model that separately evolves the plasma density and temperature

  3. Paramagnetic state of the isolated gold impurity in silicon

    NASA Astrophysics Data System (ADS)

    Son, N. T.; Gregorkiewicz, T.; Ammerlaan, C. A. J.

    1992-11-01

    The paper reports on the observation of the electron paramagnetic resonance spectrum of the isolated substitutional gold impurity in silicon. The spectrum has orthorhombic I (C2v) symmetry and an effective spin S=1/2. It has been detected in silver-doped samples with gold being introduced as contamination of the isotope used for diffusion. Parameters of the spectrum are given and an electronic model is proposed. With the results of the current study the puzzling question concerning paramagnetism of the isolated gold impurity in silicon appears to be clarified.

  4. Impurity entanglement through electron scattering in a magnetic field

    NASA Astrophysics Data System (ADS)

    Metavitsiadis, Alexandros; Dillenschneider, Raoul; Eggert, Sebastian

    2014-04-01

    We study the entanglement of magnetic impurities in an environment of electrons through successive scattering while an external magnetic field is applied. We show that the dynamics of the problem can be approximately described by a reduced model of three interacting spins, which reveals an intuitive view on how spins can be entangled by controlled electron scattering. The role of the magnetic field is rather crucial. Depending on the initial state configuration, the magnetic field can either increase or decrease the resulting entanglement but more importantly it can allow the impurities to be maximally entangled.

  5. Soft Heisenberg hair on black holes in three dimensions

    NASA Astrophysics Data System (ADS)

    Afshar, Hamid; Detournay, Stephane; Grumiller, Daniel; Merbis, Wout; Perez, Alfredo; Tempo, David; Troncoso, Ricardo

    2016-05-01

    Three-dimensional Einstein gravity with a negative cosmological constant admits stationary black holes that are not necessarily spherically symmetric. We propose boundary conditions for the near-horizon region of these black holes that lead to a surprisingly simple near-horizon symmetry algebra consisting of two affine u ^(1 ) current algebras. The symmetry algebra is essentially equivalent to the Heisenberg algebra. The associated charges give a specific example of "soft hair" on the horizon, as defined by Hawking, Perry and Strominger. We show that soft hair does not contribute to the Bekenstein-Hawking entropy of Bañados-Teitelboim-Zanelli black holes and "black flower" generalizations. From the near-horizon perspective the conformal generators at asymptotic infinity appear as composite operators, which we interpret in the spirit of black hole complementarity. Another remarkable feature of our boundary conditions is that they are singled out by requiring that the whole spectrum is compatible with regularity at the horizon, regardless of the value of the global charges like mass or angular momentum. Finally, we address black hole microstates and generalizations to cosmological horizons.

  6. Ordering of the Heisenberg spin glass in two dimensions

    NASA Astrophysics Data System (ADS)

    Kawamura, Hikaru; Yonehara, Hitoshi

    2003-10-01

    The spin and the chirality orderings of the Heisenberg spin glass in two dimensions with the nearest-neighbour Gaussian coupling are investigated by equilibrium Monte Carlo simulations. Particular attention is paid to the behaviour of the spin and the chirality correlation lengths. In order to observe the true asymptotic behaviour, a fairly large system size L gap 20 (L the linear dimension of the system) appears to be necessary. It is found that both the spin and the chirality order only at zero temperature. At high temperatures, the chiral correlation length stays shorter than the spin correlation length, whereas at lower temperatures below the crossover temperature T×, the chiral correlation length exceeds the spin correlation length. The spin and the chirality correlation-length exponents are estimated above T× to be ngrSG = 0.9 ± 0.2 and ngrCG = 2.1 ± 0.3, respectively. These values are close to the previous estimates on the basis of the domain-wall-energy calculation. Discussion is given about the asymptotic critical behaviour realized below T×.

  7. Anisotropic inflation from vector impurity

    SciTech Connect

    Kanno, Sugumi; Kimura, Masashi; Soda, Jiro; Yokoyama, Shuichiro E-mail: mkimura@sci.osaka-cu.ac.jp E-mail: shu@a.phys.nagoya-u.ac.jp

    2008-08-15

    We study an inflationary scenario with a vector impurity. We show that the universe undergoes anisotropic inflationary expansion due to a preferred direction determined by the vector. Using the slow roll approximation, we find a formula for determining the anisotropy of the inflationary universe. We discuss possible observable predictions of this scenario. In particular, it is stressed that primordial gravitational waves can be induced from curvature perturbations. Hence, even in low scale inflation, a sizable amount of primordial gravitational waves may be produced during inflation.

  8. Impurity-induced moments in underdoped cuprates

    SciTech Connect

    Khaliullin, G. |; Kilian, R.; Krivenko, S.; Fulde, P.

    1997-11-01

    We examine the effect of a nonmagnetic impurity in a two-dimensional spin liquid in the spin-gap phase, employing a drone-fermion representation of spin-1/2 operators. The properties of the local moment induced in the vicinity of the impurity are investigated and an expression for the nuclear-magnetic-resonance Knight shift is derived, which we compare with experimental results. Introducing a second impurity into the spin liquid an antiferromagnetic interaction between the moments is found when the two impurities are located on different sublattices. The presence of many impurities leads to a screening of this interaction as is shown by means of a coherent-potential approximation. Further, the Kondo screening of an impurity-induced local spin by charge carriers is discussed. {copyright} {ital 1997} {ital The American Physical Society}

  9. Trace organic impurities in gaseous helium

    NASA Technical Reports Server (NTRS)

    Schehl, T. A.

    1973-01-01

    A program to determine trace organic impurities present in helium has been initiated. The impurities were concentrated in a cryogenic trap to permit detection and identification by a gas chromatographic-mass spectrometric technique. Gaseous helium (GHe) exhibited 63 GC flame ionization response peaks. Relative GC peak heights and identifications of 25 major impurities by their mass spectra are given. As an aid to further investigation, identities are proposed for 16 other components, and their mass spectra are given.

  10. The Monte Carlo validation framework for the discriminant partial least squares model extended with variable selection methods applied to authenticity studies of Viagra® based on chromatographic impurity profiles.

    PubMed

    Krakowska, B; Custers, D; Deconinck, E; Daszykowski, M

    2016-02-01

    The aim of this work was to develop a general framework for the validation of discriminant models based on the Monte Carlo approach that is used in the context of authenticity studies based on chromatographic impurity profiles. The performance of the validation approach was applied to evaluate the usefulness of the diagnostic logic rule obtained from the partial least squares discriminant model (PLS-DA) that was built to discriminate authentic Viagra® samples from counterfeits (a two-class problem). The major advantage of the proposed validation framework stems from the possibility of obtaining distributions for different figures of merit that describe the PLS-DA model such as, e.g., sensitivity, specificity, correct classification rate and area under the curve in a function of model complexity. Therefore, one can quickly evaluate their uncertainty estimates. Moreover, the Monte Carlo model validation allows balanced sets of training samples to be designed, which is required at the stage of the construction of PLS-DA and is recommended in order to obtain fair estimates that are based on an independent set of samples. In this study, as an illustrative example, 46 authentic Viagra® samples and 97 counterfeit samples were analyzed and described by their impurity profiles that were determined using high performance liquid chromatography with photodiode array detection and further discriminated using the PLS-DA approach. In addition, we demonstrated how to extend the Monte Carlo validation framework with four different variable selection schemes: the elimination of uninformative variables, the importance of a variable in projections, selectivity ratio and significance multivariate correlation. The best PLS-DA model was based on a subset of variables that were selected using the variable importance in the projection approach. For an independent test set, average estimates with the corresponding standard deviation (based on 1000 Monte Carlo runs) of the correct

  11. Method for detecting trace impurities in gases

    DOEpatents

    Freund, Samuel M.; Maier, II, William B.; Holland, Redus F.; Beattie, Willard H.

    1981-01-01

    A technique for considerably improving the sensitivity and specificity of infrared spectrometry as applied to quantitative determination of trace impurities in various carrier or solvent gases is presented. A gas to be examined for impurities is liquefied and infrared absorption spectra of the liquid are obtained. Spectral simplification and number densities of impurities in the optical path are substantially higher than are obtainable in similar gas-phase analyses. Carbon dioxide impurity (.about.2 ppm) present in commercial Xe and ppm levels of Freon 12 and vinyl chloride added to liquefied air are used to illustrate the method.

  12. Method for detecting trace impurities in gases

    DOEpatents

    Freund, S.M.; Maier, W.B. II; Holland, R.F.; Beattie, W.H.

    A technique for considerably improving the sensitivity and specificity of infrared spectrometry as applied to quantitative determination of trace impurities in various carrier or solvent gases is presented. A gas to be examined for impurities is liquefied and infrared absorption spectra of the liquid are obtained. Spectral simplification and number densities of impurities in the optical path are substantially higher than are obtainable in similar gas-phase analyses. Carbon dioxide impurity (approx. 2 ppM) present in commercial Xe and ppM levels of Freon 12 and vinyl chloride added to liquefied air are used to illustrate the method.

  13. Analytical advances in pharmaceutical impurity profiling.

    PubMed

    Holm, René; Elder, David P

    2016-05-25

    Impurities will be present in all drug substances and drug products, i.e. nothing is 100% pure if one looks in enough depth. The current regulatory guidance on impurities accepts this, and for drug products with a dose of less than 2g/day identification of impurities is set at 0.1% levels and above (ICH Q3B(R2), 2006). For some impurities, this is a simple undertaking as generally available analytical techniques can address the prevailing analytical challenges; whereas, for others this may be much more challenging requiring more sophisticated analytical approaches. The present review provides an insight into current development of analytical techniques to investigate and quantify impurities in drug substances and drug products providing discussion of progress particular within the field of chromatography to ensure separation of and quantification of those related impurities. Further, a section is devoted to the identification of classical impurities, but in addition, inorganic (metal residues) and solid state impurities are also discussed. Risk control strategies for pharmaceutical impurities aligned with several of the ICH guidelines, are also discussed.

  14. Mineral impurities in coal combustion

    SciTech Connect

    Raask, E.

    1985-01-01

    This article discusses the many and varied problems associated with coal combustion and suggests remedial measures to assist in producing electrical energy from coal more efficiently. Contents include: influence of coal mineral matter on boiler design; mineral impurities in coal; quality of coal utilized in power stations; coal grinding, abrasive fuel minerals and plant wear; particulates silicate minerals in boiler flame; reactions of nonsilicate impurities in coal flame; creation, capture and coalescence of particulate ash in boiler flame; slag viscosity; sintering, fusion and slagging propensities of coal ashes, adhesion of ash deposit on boiler tubes and refractory materials; deposition mechanisms, rate measurements and the mode of formation of boiler deposits; thermal radiation and heat transfer properties of boiler deposits; measures to combat boiler fouling and slagging; some specific ash-related problems with US Coals; use of additives in coal fired boilers; high temperature corrosion in coal-fired plants; ash impaction erosion wear; low temeprature fouling and corrosion; comparison of ash-related problems in pulverized fuel and other coal-fired systems.

  15. Kinetic effects on geodesic acoustic mode from combined collisions and impurities

    SciTech Connect

    Yang, Shangchuan; Xie, Jinlin Liu, Wandong

    2015-04-15

    The dispersion relation for geodesic acoustic mode (GAM) is derived by applying a gyrokinetic model that accounts for the effects from both collisions and impurities. Based on the dispersion relation, an analysis is performed for the non-monotonic behavior of GAM damping versus the characteristic collision rate at various impurity levels. As the effective charge increases, the maximum damping rate is found to shift towards lower collision rates, nearer to the parameter range of a typical tokamak edge plasma. The relative strengths of ion-ion and impurity-induced collision effects, which are illustrated by numerical calculations, are found to be comparable. Impurity-induced collisions help decrease the frequency of GAM, while their effects on the damping rate are non-monotonic, resulting in a weaker total damping in the high collision regime. The results presented suggest considering collision effects as well as impurity effects in GAM analysis.

  16. Natural orbitals renormalization group approach to the two-impurity Kondo critical point

    NASA Astrophysics Data System (ADS)

    He, Rong-Qiang; Dai, Jianhui; Lu, Zhong-Yi

    2015-04-01

    The problem of two magnetic impurities in a normal metal exposes the two opposite tendencies in the formation of a singlet ground state, driven respectively by the single-ion Kondo effect with conduction electrons to screen impurity spins or the Ruderman-Kittel-Kasuya-Yosida interaction between the two impurities to directly form impurity spin singlet. However, whether the competition between these two tendencies can lead to a quantum critical point has been debated over more than two decades. Here, we study this problem by applying the newly proposed natural orbitals renormalization group method to a lattice version of the two-impurity Kondo model with a direct exchange K between the two impurity spins. The method allows for unbiased access to the ground state wave functions and low-lying excitations for sufficiently large system sizes. We demonstrate the existence of a quantum critical point, characterized by the power-law divergence of impurity staggered susceptibility with critical exponent γ =0.60 (1 ) , on the antiferromagnetic side of K when the interimpurity distance R is even lattice spacing, while a crossover behavior is recovered when R is odd lattice spacing. These results have ultimately resolved the long-standing discrepancy between the numerical renormalization group and quantum Monte Carlo studies, confirming a link of this two-impurity Kondo critical point to a hidden particle-hole symmetry predicted by the local Fermi liquid theory.

  17. Semiclassical initial value representation for the quantum propagator in the Heisenberg interaction representation

    SciTech Connect

    Petersen, Jakob; Pollak, Eli

    2015-12-14

    One of the challenges facing on-the-fly ab initio semiclassical time evolution is the large expense needed to converge the computation. In this paper, we suggest that a significant saving in computational effort may be achieved by employing a semiclassical initial value representation (SCIVR) of the quantum propagator based on the Heisenberg interaction representation. We formulate and test numerically a modification and simplification of the previous semiclassical interaction representation of Shao and Makri [J. Chem. Phys. 113, 3681 (2000)]. The formulation is based on the wavefunction form of the semiclassical propagation instead of the operator form, and so is simpler and cheaper to implement. The semiclassical interaction representation has the advantage that the phase and prefactor vary relatively slowly as compared to the “standard” SCIVR methods. This improves its convergence properties significantly. Using a one-dimensional model system, the approximation is compared with Herman-Kluk’s frozen Gaussian and Heller’s thawed Gaussian approximations. The convergence properties of the interaction representation approach are shown to be favorable and indicate that the interaction representation is a viable way of incorporating on-the-fly force field information within a semiclassical framework.

  18. High Field Magnetization Studies of Low Dimensional Heisenberg S = 1/2 Antiferromagnets

    NASA Astrophysics Data System (ADS)

    Landee, C. P.; Turnbull, M. M.

    1998-03-01

    The magnetization curves of a number of low dimensional S=1/2 Heisenberg antiferromagnets have been determined in fields up to 30 tesla at low temperatures at the National High Magnetic Fields Laboratory. Materials studied include a family of 1D materials, based upon Cu(pyrazine)(NO_3)_2, 2D magnets consisting of pyrazine-bridged copper layers, and several spin ladders with singlet ground states. All of the magnetization data show upward curvature and are well described by T = 0 calculations based upon finite cluster models(Bonner and Fisher, Phys. Rev. A135, 640 (1964); Yang and Mutter, NANL cond-mat/9610092.). Chemical substitution on the pyrazine rings permits the variation of exchange constants by more than 25 percent for the family of well isolated chains. The spin ladder systems consist of ferromagnetic dimers weakly connected by antiferromagnetic intradimer interactions. Field induced transitions are seen at fields of less than one tesla for each of the three compounds.

  19. Spin-1/2 Heisenberg J1-J2 antiferromagnet on the kagome lattice

    NASA Astrophysics Data System (ADS)

    Iqbal, Yasir; Poilblanc, Didier; Becca, Federico

    2015-01-01

    We report variational Monte Carlo calculations for the spin-1/2 Heisenberg model on the kagome lattice in the presence of both nearest-neighbor J1 and next-nearest-neighbor J2 antiferromagnetic superexchange couplings. Our approach is based upon Gutzwiller projected fermionic states that represent a flexible tool to describe quantum spin liquids with different properties (e.g., gapless and gapped). We show that, on finite clusters, a gapped Z2 spin liquid can be stabilized in the presence of a finite J2 superexchange, with a substantial energy gain with respect to the gapless U (1 ) Dirac spin liquid. However, this energy gain vanishes in the thermodynamic limit, implying that, at least within this approach, the U (1 ) Dirac spin liquid remains stable in a relatively large region of the phase diagram. For J2/J1≳0.3 , we find that a magnetically ordered state with q =0 overcomes the magnetically disordered wave functions, suggesting the end of the putative gapless spin-liquid phase.

  20. Cryogenic Laser Calorimetry for Impurity Analysis

    NASA Technical Reports Server (NTRS)

    Swimm, R. T.

    1985-01-01

    The results of a one-year effort to determine the applicability of laser-calorimetric spectroscopy to the study of deep-level impurities in silicon are presented. Critical considerations for impurity analysis by laser-calorimetric spectroscopy are discussed, the design and performance of a cryogenic laser calorimeter is described, and measurements of background absorption in high-purity silicon are presented.

  1. Eliminating Impurity Traps in the Silane Process

    NASA Technical Reports Server (NTRS)

    Coleman, L. M.

    1982-01-01

    Redistribution reaction section of silane process progressively separates heavier parts of chlorosilane feedstock until light silane product is available for pyrolysis. Small amount of liquid containing impurities is withdrawn from processing stages in which trapping occurs and passed to earlier processing stage in which impurities tend to be removed via chemical reactions.

  2. Silicon materials task of the Low Cost Solar Array Project: Effect of impurities and processing on silicon solar cells

    NASA Technical Reports Server (NTRS)

    Hopkins, R. H.; Davis, J. R.; Rohatgi, A.; Hanes, M. H.; Rai-Choudhury, P.; Mollenkopf, H. C.

    1982-01-01

    The effects of impurities and processing on the characteristics of silicon and terrestrial silicon solar cells were defined in order to develop cost benefit relationships for the use of cheaper, less pure solar grades of silicon. The amount of concentrations of commonly encountered impurities that can be tolerated in typical p or n base solar cells was established, then a preliminary analytical model from which the cell performance could be projected depending on the kinds and amounts of contaminants in the silicon base material was developed. The impurity data base was expanded to include construction materials, and the impurity performace model was refined to account for additional effects such as base resistivity, grain boundary interactions, thermal processing, synergic behavior, and nonuniform impurity distributions. A preliminary assessment of long term (aging) behavior of impurities was also undertaken.

  3. Analytical control of process impurities in Pazopanib hydrochloride by impurity fate mapping.

    PubMed

    Li, Yan; Liu, David Q; Yang, Shawn; Sudini, Ravinder; McGuire, Michael A; Bhanushali, Dharmesh S; Kord, Alireza S

    2010-08-01

    Understanding the origin and fate of organic impurities within the manufacturing process along with a good control strategy is an integral part of the quality control of drug substance. Following the underlying principles of quality by design (QbD), a systematic approach to analytical control of process impurities by impurity fate mapping (IFM) has been developed and applied to the investigation and control of impurities in the manufacturing process of Pazopanib hydrochloride, an anticancer drug approved recently by the U.S. FDA. This approach requires an aggressive chemical and analytical search for potential impurities in the starting materials, intermediates and drug substance, and experimental studies to track their fate through the manufacturing process in order to understand the process capability for rejecting such impurities. Comprehensive IFM can provide elements of control strategies for impurities. This paper highlights the critical roles that analytical sciences play in the IFM process and impurity control. The application of various analytical techniques (HPLC, LC-MS, NMR, etc.) and development of sensitive and selective methods for impurity detection, identification, separation and quantification are highlighted with illustrative examples. As an essential part of the entire control strategy for Pazopanib hydrochloride, analytical control of impurities with 'meaningful' specifications and the 'right' analytical methods is addressed. In particular, IFM provides scientific justification that can allow for control of process impurities up-stream at the starting materials or intermediates whenever possible.

  4. Near-Heisenberg-limited atomic clocks in the presence of decoherence.

    PubMed

    Borregaard, J; Sørensen, A S

    2013-08-30

    The ultimate stability of atomic clocks is limited by the quantum noise of the atoms. To reduce this noise it has been suggested to use entangled atomic ensembles with reduced atomic noise. Potentially this can push the stability all the way to the limit allowed by the Heisenberg uncertainty relation, which is denoted the Heisenberg limit. In practice, however, entangled states are often more prone to decoherence, which may prevent reaching this performance. Here we present an adaptive measurement protocol that in the presence of a realistic source of decoherence enables us to get near-Heisenberg-limited stability of atomic clocks using entangled atoms. The protocol may thus realize the full potential of entanglement for quantum metrology despite the detrimental influence of decoherence.

  5. Near-Heisenberg-limited atomic clocks in the presence of decoherence.

    PubMed

    Borregaard, J; Sørensen, A S

    2013-08-30

    The ultimate stability of atomic clocks is limited by the quantum noise of the atoms. To reduce this noise it has been suggested to use entangled atomic ensembles with reduced atomic noise. Potentially this can push the stability all the way to the limit allowed by the Heisenberg uncertainty relation, which is denoted the Heisenberg limit. In practice, however, entangled states are often more prone to decoherence, which may prevent reaching this performance. Here we present an adaptive measurement protocol that in the presence of a realistic source of decoherence enables us to get near-Heisenberg-limited stability of atomic clocks using entangled atoms. The protocol may thus realize the full potential of entanglement for quantum metrology despite the detrimental influence of decoherence. PMID:24033016

  6. Theory of Impurity Induced Step Pinning and Recovery in Crystal Growth from Solutions

    NASA Astrophysics Data System (ADS)

    Ranganathan, Madhav; Weeks, John D.

    2013-02-01

    We extend the terrace-step-kink model of crystal growth to impure solutions where the impurities act as barriers to step motion. The effects of supersaturation, step curvature, step repulsions, and impurities on step motion are treated in a unified free energy framework. The model reproduces several features seen in experiments on growth of potassium dihydrogen phosphate crystals, wherein a dead zone at low supersaturations and a recovery of crystal growth by motion of large coherent step bunches at larger supersaturations are observed. We identify a key feature of solution growth that leads to these effects.

  7. Theory of impurity induced step pinning and recovery in crystal growth from solutions.

    PubMed

    Ranganathan, Madhav; Weeks, John D

    2013-02-01

    We extend the terrace-step-kink model of crystal growth to impure solutions where the impurities act as barriers to step motion. The effects of supersaturation, step curvature, step repulsions, and impurities on step motion are treated in a unified free energy framework. The model reproduces several features seen in experiments on growth of potassium dihydrogen phosphate crystals, wherein a dead zone at low supersaturations and a recovery of crystal growth by motion of large coherent step bunches at larger supersaturations are observed. We identify a key feature of solution growth that leads to these effects.

  8. Off the Beat. An Appreciation of Werner Heisenberg and Some Talk About How Physics Was in the Good Old Days

    ERIC Educational Resources Information Center

    Thomsen, Dietrick E.

    1976-01-01

    Presented is an insight into man's idea about physics and being a physicist in the days when Heisenberg, P. A. M. Dirac, Louis de Broglic and other famous physicists were young men. Heisenberg is compared to Newton, inventing new math as he needed it. Emphasis is placed on the fact that he was not a Nazi sympathizer. (EB)

  9. Continuous-time quantum Monte Carlo impurity solvers

    NASA Astrophysics Data System (ADS)

    Gull, Emanuel; Werner, Philipp; Fuchs, Sebastian; Surer, Brigitte; Pruschke, Thomas; Troyer, Matthias

    2011-04-01

    Continuous-time quantum Monte Carlo impurity solvers are algorithms that sample the partition function of an impurity model using diagrammatic Monte Carlo techniques. The present paper describes codes that implement the interaction expansion algorithm originally developed by Rubtsov, Savkin, and Lichtenstein, as well as the hybridization expansion method developed by Werner, Millis, Troyer, et al. These impurity solvers are part of the ALPS-DMFT application package and are accompanied by an implementation of dynamical mean-field self-consistency equations for (single orbital single site) dynamical mean-field problems with arbitrary densities of states. Program summaryProgram title: dmft Catalogue identifier: AEIL_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEIL_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: ALPS LIBRARY LICENSE version 1.1 No. of lines in distributed program, including test data, etc.: 899 806 No. of bytes in distributed program, including test data, etc.: 32 153 916 Distribution format: tar.gz Programming language: C++ Operating system: The ALPS libraries have been tested on the following platforms and compilers: Linux with GNU Compiler Collection (g++ version 3.1 and higher), and Intel C++ Compiler (icc version 7.0 and higher) MacOS X with GNU Compiler (g++ Apple-version 3.1, 3.3 and 4.0) IBM AIX with Visual Age C++ (xlC version 6.0) and GNU (g++ version 3.1 and higher) compilers Compaq Tru64 UNIX with Compq C++ Compiler (cxx) SGI IRIX with MIPSpro C++ Compiler (CC) HP-UX with HP C++ Compiler (aCC) Windows with Cygwin or coLinux platforms and GNU Compiler Collection (g++ version 3.1 and higher) RAM: 10 MB-1 GB Classification: 7.3 External routines: ALPS [1], BLAS/LAPACK, HDF5 Nature of problem: (See [2].) Quantum impurity models describe an atom or molecule embedded in a host material with which it can exchange electrons. They are basic to nanoscience as

  10. Heisenberg-limited interferometry with pair coherent states and parity measurements

    SciTech Connect

    Gerry, Christopher C.; Mimih, Jihane

    2010-07-15

    After reviewing parity-measurement-based interferometry with twin Fock states, which allows for supersensitivity (Heisenberg limited) and super-resolution, we consider interferometry with two different superpositions of twin Fock states, namely, two-mode squeezed vacuum states and pair coherent states. This study is motivated by the experimental challenge of producing twin Fock states on opposite sides of a beam splitter. We find that input two-mode squeezed states, while allowing for Heisenberg-limited sensitivity, do not yield super-resolutions, whereas both are possible with input pair coherent states.

  11. Spin decoherence of mobile impurity in a one dimensional spin bath

    NASA Astrophysics Data System (ADS)

    Devakul, Trithep; Feiguin, Adrian

    2015-03-01

    We study the spin decoherence of a mobile impurity interacting locally with a one dimensional spin bath. In contrast to the central spin model, where a single central spin interacts with the bath via long ranged interactions, our model considers only local exchange interactions, while allowing the impurity to move to neighboring sites via hopping t. We consider a spin- 1 / 2 impurity, and study the decoherence, tracing over the position degree of freedom. In the large t limit, the delocalized impurity behaves identically to a localized spin interacting with the bath, same as a central spin. This model allows one to treat a central spin problem - which inherently builds up long-range entanglement within the bath - instead as a Hamiltonian with only local interactions. Numerical calculations are done at various regimes of parameters, and comparison with the central spin model is discussed.

  12. Non-equilibrium Hybridization Expansion Impurity-solver

    NASA Astrophysics Data System (ADS)

    Dong, Qiaoyuan

    2015-03-01

    The study of non-equilibrium phenomena in strongly correlated systems has developed into one of the most active and exciting branches of condensed matter physics. Meanwhile, quantum impurity models play a prominent role as mathematical representations of quantum dots, single-molecule devices, and effective models for the dynamical mean field theory. We show results for a generalization of the hybridization expansion diagrammatic Monte Carlo technique for the Anderson impurity model. And we perform non-equilibrium calculations on the full Keldysh contour, where a dynamical sign problem vastly increases the complexity of real-time simulation. By further combining this method with a non-crossing approximation, our ``bold-line'' Monte Carlo can reach substantially longer times out of equilibrium than previously accessible, and provides an accurate description of quench and driven dynamics of correlated systems. Sponsored by the Department of Energy.

  13. Paramagnetic Attraction of Impurity-Helium Solids

    NASA Technical Reports Server (NTRS)

    Bernard, E. P.; Boltnev, R. E.; Khmelenko, V. V.; Lee, D. M.

    2003-01-01

    Impurity-helium solids are formed when a mixture of impurity and helium gases enters a volume of superfluid helium. Typical choices of impurity gas are hydrogen deuteride, deuterium, nitrogen, neon and argon, or a mixture of these. These solids consist of individual impurity atoms and molecules as well as clusters of impurity atoms and molecules covered with layers of solidified helium. The clusters have an imperfect crystalline structure and diameters ranging up to 90 angstroms, depending somewhat on the choice of impurity. Immediately following formation the clusters aggregate into loosely connected porous solids that are submerged in and completely permeated by the liquid helium. Im-He solids are extremely effective at stabilizing high concentrations of free radicals, which can be introduced by applying a high power RF dis- charge to the impurity gas mixture just before it strikes the super fluid helium. Average concentrations of 10(exp 19) nitrogen atoms/cc and 5 x 10(exp 18) deuterium atoms/cc can be achieved this way. It shows a typical sample formed from a mixture of atomic and molecular hydrogen and deuterium. It shows typical sample formed from atomic and molecular nitrogen. Much of the stability of Im-He solids is attributed to their very large surface area to volume ratio and their permeation by super fluid helium. Heat resulting from a chance meeting and recombination of free radicals is quickly dissipated by the super fluid helium instead of thermally promoting the diffusion of other nearby free radicals.

  14. Valence-bond crystal in the extended kagome spin-(1)/(2) quantum Heisenberg antiferromagnet: A variational Monte Carlo approach

    NASA Astrophysics Data System (ADS)

    Iqbal, Yasir; Becca, Federico; Poilblanc, Didier

    2011-03-01

    The highly frustrated spin-(1)/(2) quantum Heisenberg model with both nearest (J1) and next-nearest (J2) neighbor exchange interactions is revisited by using an extended variational space of projected wave functions that are optimized with state-of-the-art methods. Competition between modulated valence-bond crystals (VBCs) proposed in the literature and the Dirac spin liquid (DSL) is investigated. We find that the addition of a small ferromagnetic next-nearest-neighbor exchange coupling |J2|>0.09J1 leads to stabilization of a 36-site unit cell VBC, although the DSL remains a local minimum of the variational parameter landscape. This implies that the VBC is not trivially connected to the DSL; instead it possesses a nontrivial flux pattern and large dimerization.

  15. Exactly solvable spin-1 Ising-Heisenberg diamond chain with the second-neighbor interaction between nodal spins.

    PubMed

    Hovhannisyan, V V; Strečka, J; Ananikian, N S

    2016-03-01

    The spin-1 Ising-Heisenberg diamond chain with the second-neighbor interaction between nodal spins is rigorously solved using the transfer-matrix method. In particular, exact results for the ground state, magnetization process and specific heat are presented and discussed. It is shown that further-neighbor interaction between nodal spins gives rise to three novel ground states with a translationally broken symmetry, but at the same time, does not increases the total number of intermediate plateaus in a zero-temperature magnetization curve compared with the simplified model without this interaction term. The zero-field specific heat displays interesting thermal dependencies with a single- or double-peak structure. PMID:26836749

  16. Exactly solvable spin-1 Ising-Heisenberg diamond chain with the second-neighbor interaction between nodal spins

    NASA Astrophysics Data System (ADS)

    Hovhannisyan, V. V.; Strečka, J.; Ananikian, N. S.

    2016-03-01

    The spin-1 Ising-Heisenberg diamond chain with the second-neighbor interaction between nodal spins is rigorously solved using the transfer-matrix method. In particular, exact results for the ground state, magnetization process and specific heat are presented and discussed. It is shown that further-neighbor interaction between nodal spins gives rise to three novel ground states with a translationally broken symmetry, but at the same time, does not increases the total number of intermediate plateaus in a zero-temperature magnetization curve compared with the simplified model without this interaction term. The zero-field specific heat displays interesting thermal dependencies with a single- or double-peak structure.

  17. Effect of abnormal high solubility of impurity in nanocrystalls and its metrological aspects

    NASA Astrophysics Data System (ADS)

    Oksengendler, B. L.; Nikiforov, V. N.; Sredin, V. G.; Turaeva, N. N.; Maksimov, S. E.

    2011-04-01

    The problem of doping impurity intrusion into nanoparticles is analyzed. Thermodynamical model of the effect is developed, taking into account specific properties of nanoparticles: quantum confinement of elementary excitations and the impact of nanoparticle surface states compared with bulk ones. We obtained the size dependence of impact equilibrium solubility in nanoparticles. Magnetometric experiments, carried out on nanoparticle ensemble of iron oxide doped with gadolinium and other impurities, show lack of contradictions and good qualitative accordance between the model and the experiment.

  18. Final Report - Effects of Impurities on Fuel Cell Performance and Durability

    SciTech Connect

    Trent Molter

    2012-08-18

    This program is focused on the experimental determination of the effects of key hydrogen side impurities on the performance of PEM fuel cells. Experimental data has been leveraged to create mathematical models that predict the performance of PEM fuel cells that are exposed to specific impurity streams. These models are validated through laboratory experimentation and utilized to develop novel technologies for mitigating the effects of contamination on fuel cell performance. Results are publicly disseminated through papers, conference presentations, and other means.

  19. Effect of inactive impurities on the burning of ICF targets

    SciTech Connect

    Gus'kov, S. Yu.; Il'in, D. V.; Sherman, V. E.

    2011-12-15

    The efficiency of thermonuclear burning of the spherical deuterium-tritium (DT) plasma of inertial confinement fusion (ICF) targets in the presence of low-Z impurities (such as lithium, carbon, or beryllium) with arbitrary concentrations is investigated. The effect of impurities produced due to the mixing of the thermonuclear fuel with the material of the structural elements of the target during its compression on the process of target burning is studied, and the possibility of using solid noncryogenic thermonuclear fuels in ICF targets is analyzed. Analytical dependences of the ignition energy and target thermonuclear gain on the impurity concentration are obtained. The models are constructed for homogeneous and inhomogeneous plasmas for the case in which the burning is initiated in the central heated region of the target and then propagates into the surrounding relatively cold fuel. Two possible configurations of an inhomogeneous plasma, namely, an isobaric configuration formed in the case of spark ignition of the target and an isochoric configuration formed in the case of fast ignition, are considered. The results of numerical simulations of the burning of the DT plasma of ICF targets in a wide range of impurity concentrations are presented. The simulations were performed using the TEPA one-dimensional code, in which the thermonuclear burning kinetics is calculated by the Monte Carlo method. It is shown that the strongest negative effect related to the presence of impurities is an increase in the energy of target ignition. It is substantiated that the most promising solid noncryogenic fuel is DT hydride of beryllium (BeDT). The requirements to the plasma parameters at which BeDT can be used as a fuel in noncryogenic ICF targets are determined. Variants of using noncryogenic targets with a solid thermonuclear fuel are proposed.

  20. Tunneling spectroscopy of a phosphorus impurity atom on the Ge(111)-(2 × 1) surface

    SciTech Connect

    Savinov, S. V.; Oreshkin, A. I. E-mail: oreshkin@spmlab.ru; Oreshkin, S. I.; Haesendonck, C. van

    2015-06-15

    We numerically model the Ge(111)-(2 × 1) surface electronic properties in the vicinity of a P donor impurity atom located near the surface. We find a notable increase in the surface local density of states (LDOS) around the surface dopant near the bottom of the empty surface state band π*, which we call a split state due to its limited spatial extent and energetic position inside the band gap. We show that despite the well-established bulk donor impurity energy level position at the very bottom of the conduction band, a surface donor impurity on the Ge(111)-(2 × 1) surface might produce an energy level below the Fermi energy, depending on the impurity atom local environment. It is demonstrated that the impurity located in subsurface atomic layers is visible in a scanning tunneling microscope (STM) experiment on the Ge(111)-(2 × 1) surface. The quasi-1D character of the impurity image, observed in STM experiments, is confirmed by our computer simulations with a note that a few π-bonded dimer rows may be affected by the presence of the impurity atom. We elaborate a model that allows classifying atoms on the experimental low-temperature STM image. We show the presence of spatial oscillations of the LDOS by the density-functional theory method.

  1. Spin liquid nature in the Heisenberg J1-J2 triangular antiferromagnet

    NASA Astrophysics Data System (ADS)

    Iqbal, Yasir; Hu, Wen-Jun; Thomale, Ronny; Poilblanc, Didier; Becca, Federico

    2016-04-01

    We investigate the spin-1/2 Heisenberg model on the triangular lattice in the presence of nearest-neighbor J1 and next-nearest-neighbor J2 antiferromagnetic couplings. Motivated by recent findings from density-matrix renormalization group (DMRG) claiming the existence of a gapped spin liquid with signatures of spontaneously broken lattice point group symmetry [Zhu and White, Phys. Rev. B 92, 041105 (2015), 10.1103/PhysRevB.92.041105 and Hu, Gong, Zhu, and Sheng, Phys. Rev. B 92, 140403 (2015), 10.1103/PhysRevB.92.140403], we employ the variational Monte Carlo (VMC) approach to analyze the model from an alternative perspective that considers both magnetically ordered and paramagnetic trial states. We find a quantum paramagnet in the regime 0.08 ≲J2/J1≲0.16 , framed by 120∘ coplanar (stripe collinear) antiferromagnetic order for smaller (larger) J2/J1 . By considering the optimization of spin-liquid wave functions of a different gauge group and lattice point group content as derived from Abrikosov mean-field theory, we obtain the gapless U(1 ) Dirac spin liquid as the energetically most preferable state in comparison to all symmetric or nematic gapped Z2 spin liquids so far advocated by DMRG. Moreover, by the application of few Lanczos iterations, we find the energy to be the same as the DMRG result within error bars. To further resolve the intriguing disagreement between VMC and DMRG, we complement our methodological approach by the pseudofermion functional renormalization group (PFFRG) to compare the spin structure factors for the paramagnetic regime calculated by VMC, DMRG, and PFFRG. This model promises to be an ideal test bed for future numerical refinements in tracking the long-range correlations in frustrated magnets.

  2. An introduction to blocked impurity band detectors

    NASA Technical Reports Server (NTRS)

    Geist, Jon

    1988-01-01

    Blocked impurity band detectors fabricated using standard silicon technologies offer the possibility of combining high sensitivity and high accuracy in a single detector operating in a low background environment. The solid state photomultiplier described by Petroff et al., which is a new type of blocked impurity band detector, offers even higher sensitivity as well as operation in the visible spectral region. The principle of operation and possible application of blocked impurity band detectors for stellar seismology and the search for extra-solar planets are described.

  3. Multiple magnetic impurities on surfaces: Scattering and quasiparticle interference

    NASA Astrophysics Data System (ADS)

    Mitchell, Andrew K.; Derry, Philip G.; Logan, David E.

    2015-06-01

    We study systems of multiple interacting quantum impurities deposited on a metallic surface in a three-dimensional host. For the real-space two-impurity problem, using numerical renormalization group calculations, a rich range of behavior is shown to arise due to the interplay between Kondo physics and effective Ruderman-Kittel-Kasuya-Yosida interactions—provided the impurity separation is small. Such calculations allow identification of the minimum impurity separation required for a description in terms of independent impurities, and thereby the onset of the "dilute-impurity limit" in many-impurity systems. A "dilute-cluster" limit is also identified in systems with higher impurity density, where interimpurity interactions are important only within independent clusters. We calculate the quasiparticle interference due to two and many impurities, and explore the consequences of the independent impurity and cluster paradigms. Our results provide a framework to investigate the effects of disorder due to interacting impurities at experimentally relevant surface coverages.

  4. A neural network method for restoring the initial impurity concentration distribution from data of ion sputter depth profiling

    NASA Astrophysics Data System (ADS)

    Shyrokorad, D. V.; Kornich, G. V.

    2016-07-01

    A new approach to solving the problem of restoring the initial impurity concentration distribution from data of ion sputter depth profiling is proposed. The algorithm of impurity profile restoration is based on using an artificial neural network with the input signals representing surface concentrations of impurity determined at sequential moments of sputter depth profiling. The artificial neural network is trained for various depths and thicknesses of the impurity-containing layer and various values of parameters of the adopted model equation of diffusion-like ion mixing.

  5. Extrinsic Spin Hall Effect Due to Transition-Metal Impurities

    NASA Astrophysics Data System (ADS)

    Tanaka, T.; Kontani, H.

    2012-11-01

    We investigate the extrinsic spin Hall effect in the electron gas model due to transition-metal impurities based on the single-impurity Anderson model with orbital degrees of freedom. Both the skew scattering and side jump mechanisms are analyzed in a unified way, and the significant role of orbital degrees of freedom are clarified. The obtained spin Hall conductivities are in proportion to the spin-orbit polarization at the Fermi level < {l} . {s} >_{μ} as is the case with the intrinsic spin Hall effect: skew scattering term {SH}^{ss} ∝ < {l} . {s} >_{μ} δ_1 σ_{xx}, and side jump term σ_{SH}^{sj} ∝ < {l} . {s} >_{μ}, where δ_1 is the phase shift for p (l = 1) partial wave. Furthermore, the present study indicates the existence of a nontrivial close relationship between the intrinsic term σ_{SH}^{int} and the extrinsic side jump term σ_{SH}^{sj}.

  6. Calculation of cohesion and changes in electronic structure due to impurity segregation at boundaries in iron

    SciTech Connect

    Rez, P.; Alvarez, J.R.

    1999-11-12

    It is well known that impurities in iron which segregate to grain boundaries can dramatically change physical properties. Carbon and boron tend to increase ductility while phosphorus and sulfur lead to embrittlement. Cohesion at boundaries in iron can be understood by studying changes in the iron d states responsible for bonding. Since the effects are quite localized, relatively small systems can be used to model the electronic structure. Both FLAPW and LKKR calculations show that the average energy of the d band is lower for B and C impurities and higher for P and S impurities. These results are consistent with the macroscopic changes in cohesion.

  7. The Taylor spectrum and transversality for a Heisenberg algebra of operators

    NASA Astrophysics Data System (ADS)

    Dosi, Anar A.

    2010-05-01

    A problem on noncommutative holomorphic functional calculus is considered for a Banach module over a finite-dimensional nilpotent Lie algebra. As the main result, the transversality property of algebras of noncommutative holomorphic functions with respect to the Taylor spectrum is established for a family of bounded linear operators generating a Heisenberg algebra. Bibliography: 25 titles.

  8. Phase diagrams of the Ising-Heisenberg chain with S = 1/2 triangular XXZ clusters

    SciTech Connect

    Ohanyan, V.

    2010-03-15

    The one-dimensional spin system consisted of triangular S = 1/2 XXZ Heisenberg clusters alternating with single Ising spins is considered. Partition function of the system is calculated exactly within the transfer-matrix formalism. T = 0 ground state phase diagrams, corresponding to different regions of the values of system parameters, are obtained.

  9. The Taylor spectrum and transversality for a Heisenberg algebra of operators

    SciTech Connect

    Dosi, Anar A

    2010-05-11

    A problem on noncommutative holomorphic functional calculus is considered for a Banach module over a finite-dimensional nilpotent Lie algebra. As the main result, the transversality property of algebras of noncommutative holomorphic functions with respect to the Taylor spectrum is established for a family of bounded linear operators generating a Heisenberg algebra. Bibliography: 25 titles.

  10. Heisenberg-like and Fisher-information-based uncertainty relations for N -electron d -dimensional systems

    NASA Astrophysics Data System (ADS)

    Toranzo, I. V.; López-Rosa, S.; Esquivel, R. O.; Dehesa, J. S.

    2015-06-01

    Heisenberg-like and Fisher-information-based uncertainty relations which extend and generalize previous similar expressions are obtained for N -fermion d -dimensional systems. The contributions of both spatial and spin degrees of freedom are taken into account. The accuracy of some of these generalized spinned uncertainty-like relations is numerically examined for a large number of atomic and molecular systems.

  11. Numerical calculations for Heisenberg ferromagnet on honeycomb lattice using Oguchi’s method

    SciTech Connect

    Mert, Gülistan; Mert, H. Şevki

    2015-03-10

    Magnetic properties such as the magnetization, internal energy and specific heat for Heisenberg ferromagnet with spin - 1/2 on honeycomb lattice are have been calculated using Oguchi’s method. We have found that the magnetic specific heat exhibits two peaks.

  12. Fick's law, green-kubo formula, and Heisenberg's equation of motion

    PubMed

    Lee

    2000-09-18

    Fick's law is important in transport theory and nonequilibrium statistical mechanics. The Heisenberg equation of motion for density is examined to see how it could be reduced to the diffusion equation, which is exactly equivalent to Fick's law. Conditions that are required have been noted and their implications explored.

  13. While Heisenberg Is Not Looking: The Strength of "Weak Measurements" in Educational Research

    ERIC Educational Resources Information Center

    Geelan, David R.

    2015-01-01

    The concept of "weak measurements" in quantum physics is a way of "cheating" the Uncertainty Principle. Heisenberg stated (and 85 years of experiments have demonstrated) that it is impossible to know both the position and momentum of a particle with arbitrary precision. More precise measurements of one decrease the precision…

  14. Quasilocal Conserved Operators in the Isotropic Heisenberg Spin-1 /2 Chain

    NASA Astrophysics Data System (ADS)

    Ilievski, Enej; Medenjak, Marko; Prosen, Tomaž

    2015-09-01

    Composing higher auxiliary-spin transfer matrices and their derivatives, we construct a family of quasilocal conserved operators of isotropic Heisenberg spin-1 /2 chain and rigorously establish their linear independence from the well-known set of local conserved charges.

  15. Studying the thermally entangled state of a three-qubit Heisenberg XX ring via quantum teleportation

    SciTech Connect

    Yeo, Ye

    2003-08-01

    We consider quantum teleportation as a tool to investigate the thermally entangled state of a three-qubit Heisenberg XX ring. Our investigation reveals interesting aspects of quantum entanglement not reflected by the pairwise thermal concurrence of the state. In particular, two mixtures of different pairs of W states, which result in the same concurrence, could yield very different average teleportation fidelities.

  16. Friction factor for turbulent flow in rough pipes from Heisenberg's closure hypothesis.

    PubMed

    Calzetta, Esteban

    2009-05-01

    We show that the main results of the analysis of the friction factor for turbulent pipe flow reported by Gioia and Chakraborty [Phys. Rev. Lett. 96, 044502 (2006)] can be recovered by assuming the Heisenberg closure hypothesis for the turbulent spectrum. This highlights the structural features of the turbulent spectrum underlying the analysis of Gioia and Chakraborty.

  17. Determining factors for the presence of impurities in selectively collected biowaste.

    PubMed

    Puig-Ventosa, Ignasi; Freire-González, Jaume; Jofra-Sora, Marta

    2013-05-01

    The presence of impurities in biodegradable waste (biowaste) causes problems with the management of waste, among which are additional costs derived from the need to improve pre-treatment of biowaste, loss of treatment capacity and the difficulty selling treated biowaste as compost owing to its low quality. When treated biowaste is used for soil conditioning it can also cause soil pollution. Understanding the reasons why impurities are in biowaste and the factors affecting the percentage of impurities present can be used to determine ways to minimise these negative effects. This article attempts to identify the main causes for the presence of impurities in biowaste. In order to do so, it carries out an empirical analysis of the level of impurities in biowaste from municipal waste collection in two steps. First, a bivariate analysis focuses on significant correlations between the presence of impurities and several variables. Second, the construction of an explanatory model based on the significant relations obtained in the first step, and on literature research, are used to check the stated hypothesis. The estimates demonstrate that the collection system, the global levels of separate collection, the urban density of the municipality and the requirement to use compostable bags may be the main drivers of impurity levels in biowaste. PMID:23524997

  18. Gyrokinetic simulations of ion and impurity transport

    SciTech Connect

    Estrada-Mila, C.; Candy, J.; Waltz, R.E.

    2005-02-01

    A systematic study of turbulent particle and energy transport in both pure and multicomponent plasmas is presented. In this study, gyrokinetic results from the GYRO code [J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)] are supplemented with those from the GLF23 [R. E. Waltz, G. M. Staebler, W. Dorland et al., Phys. Plasmas 4, 2482 (1997)] transport model, as well as from quasilinear theory. Various results are obtained. The production of a particle pinch driven by temperature gradients (a thermal pinch) is demonstrated, and further shown to be weakened by finite electron collisionality. Helium transport and the effects of helium density gradient and concentration in a deuterium plasma are examined. Interestingly, it is found that the simple D-v (diffusion versus convective velocity) model of impurity flow is consistent with results obtained from nonlinear gyrokinetic simulations. Also studied is the transport in a 50-50 deuterium-tritium plasma, where a symmetry breaking is observed indicating the potential for fuel separation in a burning plasma. Quasilinear theory together with linear simulations shows that the symmetry breaking which enhances the tritium confinement arises largely from finite-Larmor-radius effects. To justify the numerical methods used in the paper, a variety of linear benchmarks and nonlinear grid refinement studies are detailed.

  19. Precipitating Chromium Impurities in Silicon Wafers

    NASA Technical Reports Server (NTRS)

    Salama, A. M.

    1982-01-01

    Two new treatments for silicon wafers improve solar-cell conversion efficiency by precipitating electrically-active chromium impurities. One method is simple heat treatment. Other involves laser-induced damage followed by similar heat treatment. Chromium is one impurity of concern in metallurgical-grade silicon for solar cells. In new treatment, chromium active centers are made electrically inactive by precipitating chromium from solid solution, enabling use of lower grade, lower cost silicon in cell manufacture.

  20. Role of impurities in fusion plasmas

    SciTech Connect

    Tokar, M. Z.

    2008-10-15

    The role of impurity at the plasma edge of fusion devices is considered by analysing the influence on radiation losses and anomalous transport of particle and energy. The conditions critical for the development of radiative instabilities leading to the formation of detachment and MARFE and those necessary for the creation of a stable radiating edge, protecting the wall elements from intensive heat loads, are analyzed. Mechanisms responsible for anomalous transport suppression with impurity seeding are elucidated.

  1. Method of removing phosphorus impurities from yellowcake

    SciTech Connect

    Brown, R.A.; Winkley, D.C.

    1983-04-05

    PhospHorus impurities are removed from yellowcake by dissolving it in hydrochloric or sulfuric acid to a U/sub 3/O/sub 88/ assay of at least 150 g/l at a pH of 2; precipitating uranium peroxide W hydrogen peroxide while keeping the pH between 2.2 and 2.6 and recovering the uranium peroxide from the phosphorus impurities remaining in solution.

  2. Mechanisms of impurity diffusion in rutile

    SciTech Connect

    Peterson, N.L.; Sasaki, J.

    1984-01-01

    Tracer diffusion of /sup 46/Sc, /sup 51/Cr, /sup 54/Mn, /sup 59/Fe, /sup 60/Co, /sup 63/Ni, and /sup 95/Zr, was measured as functions of crystal orientation, temperature, and oxygen partial pressure in rutile single crystals using the radioactive tracer sectioning technique. Compared to cation self-diffusion, divalent impurities (e.g., Co and Ni) diffuse extremely rapidly in TiO/sub 2/ and exhibit a large anisotropy in the diffusion behavior; divalent-impurity diffusion parallel to the c-axis is much larger than it is perpendicular to the c-axis. The diffusion of trivalent impurity ions (Sc and Cr) and tetravalent impurity ions (Zr) is similar to cation self-diffusion, as a function of temperature and of oxygen partial pressure. The divalent impurity ions Co and Ni apparently diffuse as interstitial ions along open channels parallel to the c-axis. The results suggest that Sc, Cr, and Zr ions diffuse by an interstitialcy mechanism involving the simultaneous and cooperative migration of tetravalent interstitial titanium ions and the tracer-impurity ions. Iron ions diffused both as divalent and as trivalent ions. 8 figures.

  3. Modeling CO{sub 2}-Brine-Rock Interaction Including Mercury and H{sub 2}S Impurities in the Context of CO{sub 2} Geologic Storage

    SciTech Connect

    Spycher, N.; Oldenburg, C. M.

    2014-01-01

    This study uses modeling and simulation approaches to investigate the impacts on injectivity of trace amounts of mercury (Hg) in a carbon dioxide (CO{sub 2}) stream injected for geologic carbon sequestration in a sandstone reservoir at ~2.5 km depth. At the range of Hg concentrations expected (7-190 ppbV, or ~ 0.06-1.6 mg/std.m{sup 3}CO{sub 2}), the total volumetric plugging that could occur due to complete condensation of Hg, or due to complete precipitation of Hg as cinnabar, results in a very small porosity change. In addition, Hg concentration much higher than the concentrations considered here would be required for Hg condensation to even occur. Concentration of aqueous Hg by water evaporation into CO{sub 2} is also unlikely because the higher volatility of Hg relative to H{sub 2}O at reservoir conditions prevents the Hg concentration from increasing in groundwater as dry CO{sub 2} sweeps through, volatilizing both H{sub 2}O and Hg. Using a model-derived aqueous solution to represent the formation water, batch reactive geochemical modeling show that the reaction of the formation water with the CO{sub 2}-Hg mixture causes the pH to drop to about 4.7 and then become buffered near 5.2 upon reaction with the sediments, with a negligible net volume change from mineral dissolution and precipitation. Cinnabar (HgS(s)) is found to be thermodynamically stable as soon as the Hg-bearing CO{sub 2} reacts with the formation water which contains small amounts of dissolved sulfide. Liquid mercury (Hg(l)) is not found to be thermodynamically stable at any point during the simulation. Two-dimensional radial reactive transport simulations of CO{sub 2} injection at a rate of 14.8 kg/s into a 400 m-thick formation at isothermal conditions of 106°C and average pressure near 215 bar, with varying amounts of Hg and H{sub 2}S trace gases, show generally that porosity changes only by about ±0.05% (absolute, i.e., new porosity = initial porosity ±0.0005) with Hg predicted to readily

  4. A Model Approach to Flux-Pinning Properties of YBa2Cu 3O7-delta Thin Film Vortex States via Non-Superconducting Impurities

    NASA Astrophysics Data System (ADS)

    Gamble, Ronald S., Jr.

    Thin film YBa2Cu3O7--delta (YBCO) samples with added non-superconducting nanodot defects of CeO 2 and BaSnO2 are the focus of recent high-temperature superconductor studies. These nanodots allow magnetic flux to penetrate at these sites of the superconducting lattice thus creating a magnetic flux vortex state. Examining the structure shows that these quantized magnetic flux vortices arrange themselves in a self-assembled lattice. The nanodots, with non-superconducting properties, serve to present structural properties to restrict motion of these vorticies under a pinning-force and to enhance the critical current density. A formulation of a new model for the system by a variation in the electron pair velocity via the virtual work from the nanodot defects in accordance to the well-known Superconductivity theories is tested. A solution to the expression for the magnetic flux, zero net force and pair velocity will generate a setting for the optimal deposition parameters of number density, growth geometry and mass density of these nanodot structures. With a calculation of pair velocities from a similar work, a comparison is made between experimental and theoretical velocity calculations using growth geometry and chemical potential. This will yield insight into how the current density for a doped high-temperature superconductor will be modified and tuned based on the dynamics and density of the nanodots themselves.

  5. Transport of Impurity Ions in the Wendelstein 7-AS Stellarator Plasma

    SciTech Connect

    Burhenn, Rainer; Baldzuhn, Juergen; Beidler, Craig; Brakel, Rudolf; Ehmler, Hartmut; Giannone, Louis; Grigull, Peter; Hirsch, Matthias; Knauer, Jens; Krychowiak, Maciej; Maassberg, Henning; McCormick, Kent; Pasch, Ekkehard; Weller, Arthur; Ida, Katsumi

    2006-01-15

    The impact of global plasma parameters on impurity transport in the stellarator W7-AS was investigated by laser blow-off technique. Both, density and heating power were identified to have a strong influence on impurity confinement {tau}{sub I} {approx} n{sub e}{sup 1.2}/P{sub ECRH}{sup 0.8}. In spite of stationary conditions at lower densities, an increasing trend for accumulation was observed at plasma densities beyond 5{center_dot}1019 m-3 due to reduction of the diffusion coefficients. Up to densities of at least 9{center_dot}1019 m-3, launching of electron cyclotron resonance heating (ECRH) power of 1.2 MW is able to counteract the impurity accumulation by deterioration of the impurity confinement with heating power according to the scaling law as given above. In neutral beam injection (NBI) heated plasmas at densities higher than 1{center_dot}1020m-3, long confinement times were observed, often accompanied by loss of density control and degradation of plasma energy due to increasing radiation losses. The installation of island divertor allowed a general extension of the range of accessible densities up to 4{center_dot}1020m-3: beyond a certain power-dependent threshold density (1.5-2.1{center_dot}1020m-3), the plasma enters the High Density H-mode (HDH) regime and the impurity confinement time drops to values comparable to the energy confinement time. High density plasmas could be sustained quasi-stationary with a low level of impurity radiation. The favourable impurity behavior goes along with a reduction of the inward impurity convection in the core plasma and possible changes in the edge transport. For the characterization of the general impurity behavior in W7-AS plasmas the usual transport models for axisymmetric devices are not sufficient and additional stellarator specific processes have to be considered.

  6. Structure and vibrations of different charge Ge impurity in α-quartz

    SciTech Connect

    Kislov, A. N. Mikhailovich, A. P. Zatsepin, A. F.

    2014-10-21

    Atomic structure and localized vibrations of α‐SiO{sub 2}:Ge are studied using computer modeling techniques. The simulation was carried out by the lattice dynamics calculation of the local density of vibrational states. Local structures parameters are calculated, localized symmetrized vibrations frequency caused by Ge impurity in different charge states are defined. The movements of atoms located near Ge impurity are analyzed and their contribution into localized vibrations of different type is evaluated.

  7. Effect of dilute strongly pinning impurities on charge density waves

    NASA Astrophysics Data System (ADS)

    Okamoto, Jun-ichi; Millis, Andrew J.

    2015-05-01

    We study theoretically the effects of strong pinning centers on a charge density wave in the limit that the charge density wave coherence length is shorter than the average interimpurity distance. An analysis based on a Ginzburg-Landau model shows that long-range forces arising from the elastic response of the charge density wave induce a kind of collective pinning which suppresses impurity-induced phase fluctuations, leading to a long-range ordered ground state. The correlations induced by impurities are characterized by a length scale parametrically longer than the average interimpurity distance. Long-wavelength fluctuations are found to be gapped, implying the stability of the ground state. We also present Monte Carlo simulations that confirm the basic features of the analytical results.

  8. Investigation of heroin profiling using trace organic impurities.

    PubMed

    Myors, R B; Crisp, P T; Skopec, S V; Wells, R J

    2001-05-01

    The acidic and neutral impurities in heroin samples (46 Purified South-East Asian (PSEA) and 8 non-PSEA samples) were analysed using gas chromatography. Mass spectral detection allowed the construction of a comprehensive library of over 649 impurities. A variety of statistical procedures were used to select 70 viable profiling parameters. Cluster analyses were used to investigate the similarities between samples using organic parameters. A blended PSEA profile was constructed for comparison with samples of unknown origins. Resolution between samples of PSEA/non-PSEA origins was demonstrated with a selection of 25 (18 continuous and 7 dichotomised) discriminating factors. Several predictive logistic models were created using up to 18 parameters, explaining 85-100% of the variation in the experimental data.

  9. Effect of copper impurity on polycrystalline silicon solar cells

    NASA Technical Reports Server (NTRS)

    Daud, T.; Koliwad, K. M.

    1978-01-01

    The presence of copper impurity, up to 10 to the 15th atoms/cc, in single crystal silicon has been shown to have no deleterious effect on the p-n junction solar cell performance. However, in polycrystalline silicon, copper atoms tend to migrate to the defect sites because of the structural sensitive properties of copper. This study was undertaken to investigate the influence of this behavior of copper impurity on the performance of p-n junction solar cells fabricated from structurally imperfect silicon. Two sets of polycrystalline silicon substrates containing copper were examined. In one set of samples, copper was incorporated during growth, whereas in the other, copper was diffused. Solar cells were fabricated on both the sets of substrates by a standard process. Dark and light I-V and spectral response characteristics of the cells were measured and compared with copper-free polycrystalline silicon solar cells. The results and the model are discussed.

  10. Plasma Impurity Estimations Using Residual Gas Analysis at MCX

    NASA Astrophysics Data System (ADS)

    Romero-Talamas, C. A.; Young, W. C.; Taylor, G.; Ellis, R. F.; Hassam, A. B.; Teodorescu, C.

    2009-11-01

    A methodology to characterize impurity concentrations created during plasma shots is being tested at the Maryland Centrifugal Experiment (MCX) [R.F. Ellis, et al., Phys. Plasmas 12, 055704 (2005)]. The methodology consists of measurements every 2 seconds of mass spectra with a residual gas analyzer (RGA) before, during, and after plasma shots (10 ms), and fitting the measured signals to the heat load equation for a fixed volume and time varying pressure. An extrapolation of this equation is then made to the plasma time in order to find the maximum pressure, which is otherwise too high and short-lived for reliable RGA measurements. Ratios of hydrogen or helium to impurities are then estimated and used in MCX theory models, in tracking effects of new instruments installed in the MCX vessel, and in assessing the efficacy of cleaning campaigns on plasma shots.

  11. Local nature of impurity induced spin-orbit torques

    NASA Astrophysics Data System (ADS)

    Nikolaev, Sergey; Kalitsov, Alan; Chshiev, Mairbec; Mryasov, Oleg

    Spin-orbit torques are of a great interest due to their potential applications for spin electronics. Generally, it originates from strong spin orbit coupling of heavy 4d/5d elements and its mechanism is usually attributed either to the Spin Hall effect or Rashba spin-orbit coupling. We have developed a quantum-mechanical approach based on the non-equilibrium Green's function formalism and tight binding Hamiltonian model to study spin-orbit torques and extended our theory for the case of extrinsic spin-orbit coupling induced by impurities. For the sake of simplicity, we consider a magnetic material on a two dimensional lattice with a single non-magnetic impurity. However, our model can be easily extended for three dimensional layered heterostructures. Based on our calculations, we present the detailed analysis of the origin of local spin-orbit torques and persistent charge currents around the impurity, that give rise to spin-orbit torques even in equilibrium and explain the existence of anisotropy.

  12. Impurity trapped excitons under high hydrostatic pressure

    NASA Astrophysics Data System (ADS)

    Grinberg, Marek

    2013-09-01

    Paper summarizes the results on pressure effect on energies of the 4fn → 4fn and 4fn-15d1 → 4fn transitions as well as influence of pressure on anomalous luminescence in Lnα+ doped oxides and fluorides. A model of impurity trapped exciton (ITE) was developed. Two types of ITE were considered. The first where a hole is localized at the Lnα+ ion (creation of Ln(α+1)+) and an electron is attracted by Coulomb potential at Rydberg-like states and the second where an electron captured at the Lnα+ ion (creation of Ln(α-1)+) and a hole is attracted by Coulomb potential at Rydberg-like states. Paper presents detailed analysis of nonlinear changes of energy of anomalous luminescence of BaxSr1-xF2:Eu2+ (x > 0.3) and LiBaF3:Eu2+, and relate them to ITE-4f65d1 states mixing.

  13. Classification of illicit heroin by UPLC-Q-TOF analysis of acidic and neutral manufacturing impurities.

    PubMed

    Liu, Cuimei; Hua, Zhendong; Bai, Yanping

    2015-12-01

    The illicit manufacture of heroin results in the formation of trace levels of acidic and neutral manufacturing impurities that provide valuable information about the manufacturing process used. In this work, a new ultra performance liquid chromatography-quadrupole-time of flight mass spectrometry (UPLC-Q-TOF) method; that features high resolution, mass accuracy and sensitivity for profiling neutral and acidic heroin manufacturing impurities was developed. After the UPLC-Q-TOF analysis, the retention times and m/z data pairs of acidic and neutral manufacturing impurities were detected, and 19 peaks were found to be evidently different between heroin samples from "Golden Triangle" and "Golden Crescent". Based on the data set of these 19 impurities in 150 authentic heroin samples, classification of heroin geographic origins was successfully achieved utilizing partial least squares discriminant analysis (PLS-DA). By analyzing another data set of 267 authentic heroin samples, the developed discrimiant model was validated and proved to be accurate and reliable.

  14. Giant extrinsic spin Hall effect due to rare-earth impurities

    NASA Astrophysics Data System (ADS)

    Tanaka, T.; Kontani, H.

    2009-01-01

    We investigate the extrinsic spin Hall effect (SHE) in the electron gas model due to magnetic impurities, by focusing on Ce- and Yb-impurities. In the dilute limit, the skew scattering term dominates the side jump term. For Ce-impurities, the spin Hall angle αSH due to skew scattering is given by -8πδ2/7, where δ2 (Lt1) is the phase shift for the d (l=2) partial wave. Since αSH reaches O(10-1) if δ2gsim0.03, considerably large SHE is expected to emerge in metals with rare-earth impurities. The present study provides a highly efficient way to generate a spin current.

  15. Impurity effects on electrical conductivity of doped bilayer graphene in the presence of a bias voltage

    NASA Astrophysics Data System (ADS)

    E, Lotfi; H, Rezania; B, Arghavaninia; M, Yarmohammadi

    2016-07-01

    We address the electrical conductivity of bilayer graphene as a function of temperature, impurity concentration, and scattering strength in the presence of a finite bias voltage at finite doping, beginning with a description of the tight-binding model using the linear response theory and Green’s function approach. Our results show a linear behavior at high doping for the case of high bias voltage. The effects of electron doping on the electrical conductivity have been studied via changing the electronic chemical potential. We also discuss and analyze how the bias voltage affects the temperature behavior of the electrical conductivity. Finally, we study the behavior of the electrical conductivity as a function of the impurity concentration and scattering strength for different bias voltages and chemical potentials respectively. The electrical conductivity is found to be monotonically decreasing with impurity scattering strength due to the increased scattering among electrons at higher impurity scattering strength.

  16. On the action of Heisenberg's uncertainty principle in discrete linear methods for calculating the components of the deflection of the vertical

    NASA Astrophysics Data System (ADS)

    Mazurova, Elena; Lapshin, Aleksey

    2013-04-01

    precisely, what frequency is present in the signal at the current moment of time: it is possible to speak only about the range of frequencies. Besides, it is impossible to specify precisely the time moment of the presence of this or that frequency: it is possible to speak only about the time frame. It is this feature that imposes major constrains on the applicability of the STFT. In spite of the fact that the problems of resolution in time and frequency result from a physical phenomenon (Heisenberg's uncertainty principle) and exist independent of the transform applied, there is a possibility to analyze any signal, using the alternative approach - the multiresolutional analysis (MRA). The wavelet-transform is one of the methods for making a MRA-type analysis. Thanks to it, low frequencies can be shown in a more detailed form with respect to time, and high ones - with respect to frequency. The paper presents the results of calculating of the components of the deflection of the vertical, done by the SFT, STFT and WT. The results are presented in the form of 3-d models that visually show the action of Heisenberg's uncertainty principle in the specified algorithms. The research conducted allows us to recommend the application of wavelet-transform to calculate of the components of the deflection of the vertical in the near-field zone. Keywords: Standard Fourier Transform, Short-Time Fourier Transform, Wavelet Transform, Heisenberg's uncertainty principle.

  17. Impurities in the Lithium Tokamak Experiment

    NASA Astrophysics Data System (ADS)

    Boyle, D. P.; Bell, R. E.; Kaita, R.; Majeski, R.; Biewer, T. M.; Gray, T. K.; Tritz, K.; Widmann, K.

    2014-10-01

    The Lithium Tokamak Experiment (LTX) is designed to study the low-recycling regime through the use of close-fitting, lithium-coated, heatable shell quadrants surrounding the plasma volume. Lithium coatings can getter and bury impurities, but they can also become covered by impurity compounds. Liquefied coatings can both dissolve impurity compounds and bring them to the surface, while sputtering and evaporation rates increase strongly with temperature. Here, we use spectroscopic measurements to assess the effects of varying wall conditions on plasma impurities, mainly Li, C, and O. A passive Doppler spectroscopy system measures toroidal and poloidal impurity profiles using fixed-wavelength and variable-wavelength visible spectrometers. In addition, survey and high-resolution extreme ultraviolet spectrometers detect emission from higher charge states. Preliminary results show that fresh Li coatings generally reduced C and O emission. C emission decreased sharply following the first solid Li coatings. Inverted toroidal profiles in a discharge with solid Li coatings show peaked Li III emissivity and temperature profiles. Recently, experiments with fresh liquid coatings led to especially strong O reduction. Results from these and additional experiments will be presented. Supported by US DOE Contracts DE-AC02-09CH11466 and DE-AC05-00OR22725.

  18. Gettering of metal impurities in silicon

    SciTech Connect

    Schroeter, W.; Spiecker, E.; Apel, M.

    1995-08-01

    Gettering means the removal of metallic impurities from the device-active area of the wafer by transport to a predesigned region-called gettering layer (GL). We introduce an interface at z = d{sub GL}, at which the effect of the gettering mechanism on the metal impurity distribution in the wafer is quantified, e.g. by specifying currents or by interfacial reactions of metal impurities, self interstitials etc. between GL and wafer. In response metal impurities will diffuse out of the wafer into the gettering layer. Following such a concept, in general three species of the metal impurity (M) are involved in gettering: M{sub p} {l_arrow} M{sub i} {l_arrow} M{sub GL}. M{sub p} denotes immobile species in the wafer, which are precipitated into suicides or segregated at extended defects or whose diffusivity is too small to contribute noticeably to transport during the gettering procedure - like many substitutional metal species.

  19. Satellite Water Impurity Marker (SWIM) for predicting seasonal cholera outbreaks

    NASA Astrophysics Data System (ADS)

    Jutla, A. S.; Akanda, A. S.; Islam, S.

    2011-12-01

    Prediction of outbreaks of cholera, a deadly water related disease, remains elusive. Since coastal brackish water provides a natural ecological niche for cholera bacteria and because a powerful evidence of new biotypes is emerging, it is highly unlikely that cholera will be fully eradicated. Therefore, it is necessary to develop cholera prediction model with several months' of lead time. Satellite based estimates of chlorophyll, a surrogate for phytoplankton abundance, has been associated with proliferation of cholera bacteria. However, survival of cholera bacteria in a variety of coastal ecological environment put constraints on predictive abilities of chlorophyll algorithm since it only measures greenness in coastal waters. Here, we propose a new remote sensing reflectance based statistical index: Satellite Water Impurity Marker, or SWIM. This statistical index estimates impurity levels in the coastal waters and is based on the variability observed in the difference between the blue (412nm) and green (555nm) wavelengths in coastal waters. The developed index is bounded between clear and impure water and shows the ability to predict cholera outbreaks in the Bengal Delta with a predicted r2 of 78% with two months lead time. We anticipate that a predictive system based on SWIM will provide essential lead time allowing effective intervention and mitigation strategies to be developed for other cholera endemic regions of the world.

  20. Effect of zinc impurity on silicon solar-cell efficiency

    NASA Technical Reports Server (NTRS)

    Sah, C.-T.; Chan, P. C. H.; Wang, C.-K.; Yamakawa, K. A.; Lutwack, R.; Sah, R. L.-Y.

    1981-01-01

    Zinc is a major residue impurity in the preparation of solar-grade silicon material by the zinc vapor reduction of silicon tetrachloride. This paper projects that in order to get a 17-percent AM1 cell efficiency for the Block IV module of the Low-Cost Solar Array Project, the concentration of the zinc recombination centers in the base region of silicon solar cells must be less than 4 x 10 to the 11th Zn/cu cm in the p-base n+/p/p+ cell and 7 x 10 to the 11th Zn/cu cm in the n-base p+/n/n+ cell for a base dopant impurity concentration of 5 x 10 to the 14 atoms/cu cm. If the base dopant impurity concentration is increased by a factor of 10 to 5 x 10 to the 15th atoms/cu cm, then the maximum allowable zinc concentration is increased by a factor of about two for a 17-percent AM1 efficiency. The thermal equilibrium electron and hole recombination and generation rates at the double-acceptor zinc centers are obtained from previous high-field measurements as well as new measurements at zero field described in this paper. These rates are used in the exact dc-circuit model to compute the projections.

  1. Valley relaxation in graphene due to charged impurities

    NASA Astrophysics Data System (ADS)

    Boross, Péter; Pályi, András

    2015-07-01

    Monolayer graphene is an example of materials with multivalley electronic structure. In such materials, the valley index is being considered as an information carrier. Consequently, relaxation mechanisms leading to loss of valley information are of interest. Here, we calculate the rate of valley relaxation induced by charged impurities in graphene. A special model of graphene is applied, where the pz orbitals are two-dimensional Gaussian functions, with a spatial extension characterized by an effective Bohr radius aeB. We obtain the valley relaxation rate by solving the Boltzmann equation, for the case of noninteracting electrons, as well as for the case when the impurity potential is screened due to electron-electron interaction. For the latter case, we take into account local-field effects and evaluate the dielectric matrix in the random phase approximation. Our main findings are as follows: (i) The valley relaxation rate is proportional to the electronic density of states at the Fermi energy. (ii) Charged impurities located in the close vicinity of the graphene plane, at distance d ≲0.3 Å , are much more efficient in inducing valley relaxation than those farther away, the effect of the latter being suppressed exponentially with increasing graphene-impurity distance d . (iii) Both in the absence and in the presence of electron-electron interaction, the valley relaxation rate shows pronounced dependence on the effective Bohr radius aeB. The trends are different in the two cases: In the absence (presence) of screening, the valley relaxation rate decreases (increases) for increasing effective Bohr radius. This last result highlights that a quantitative calculation of the valley relaxation rate should incorporate electron-electron interactions as well as an accurate knowledge of the electronic wave functions on the atomic length scale.

  2. A REVIEW OF RECENT IMPURITY MEASUREMENTS OF LANL MATERIAL

    SciTech Connect

    Edwards, T.

    2012-07-12

    exceptional limits. Impurity data from additional random samples of the LANL material would be needed to increase the confidence level associated with the results from a nonparametric approach for investigating the population quantiles of interest. For S, F, and Cl, only a nonparametric approach was used. A second approach, a parametric approach, was attempted for C, P, and N. However, the results for the P and N measurements indicated that each of their respective populations was not well modeled by a normal or by a lognormal distribution. Thus, the conclusions for the P and N populations were those provided by the nonparametric approach. From the parametric approach, the results for C indicated no issue in the LANL material meeting the maximum limit for this element assuming that the measurements for this element follow a lognormal distribution.

  3. Ionization of impurities in silicon

    NASA Astrophysics Data System (ADS)

    Kuźmicz, Wiesław

    1986-12-01

    A model for calculation of the percentage of ionized dopant atoms as a function of the doping concentration and temperature is proposed. The results are compared with experiment. Analytical approximations that facilitate practical applications of the model are given.

  4. Impurity and particle control for INTOR

    SciTech Connect

    Post, D.

    1985-02-01

    The INTOR impurity control system studies have been focused on the development of an impurity control system which would be able to provide the necessary heat removal and He pumping while satisfying the requirements for (1) minimum plasma contamination by impurities, (2) reasonable component lifetime (approx. 1 year), and (3) minimum size and cost. The major systems examined were poloidal divertors and pumped limiters. The poloidal divertor was chosen as the reference option since it offered the possibility of low sputtering rates due to the formation of a cool, dense plasma near the collector plates. Estimates of the sputtering rates associated with pumped limiters indicated that they would be too high for a reasonable system. Development of an engineering design concept was done for both the poloidal divertor and the pumped limiter.

  5. On charged impurity structures in liquid helium

    NASA Astrophysics Data System (ADS)

    Pelmenev, A. A.; Krushinskaya, I. N.; Bykhalo, I. B.; Boltnev, R. E.

    2016-03-01

    The thermoluminescence spectra of impurity-helium condensates (IHC) submerged in superfluid helium have been observed for the first time. Thermoluminescence of impurity-helium condensates submerged in superfluid helium is explained by neutralization reactions occurring in impurity nanoclusters. Optical spectra of excited products of neutralization reactions between nitrogen cations and thermoactivated electrons were rather different from the spectra observed at higher temperatures, when the luminescence due to nitrogen atom recombination dominates. New results on current detection during the IHC destruction are presented. Two different mechanisms of nanocluster charging are proposed to describe the phenomena observed during preparation and warm-up of IHC samples in bulk superfluid helium, and destruction of IHC samples out of liquid helium.

  6. Phonon sidebands of excitons bound to isoelectronic impurities in semiconductors

    SciTech Connect

    Zhang, Y.; Ge, W.; Sturge, M.D. ); Zheng, J.; Wu, B. )

    1993-03-15

    The configuration coordinate (CC) and momentum conservation (MC) models have been widely used to explain the phonon sidebands of impurity spectra in semiconductors. In this paper, the distinction between the CC and MC models is discussed. We conclude that the MC model only applies to shallow Coulombic impurities; in other cases, such as isoelectronic traps, the CC model is more appropriate. We show that the Huang-Rhys parameters for bulk phonon modes coupling to a bound electron or exciton can be calculated from the bound-state wave function in [ital k] space if the phonon-induced intervalley and intravalley electron scattering processes of the pure crystal are known. We study in detail the phonon sidebands of nitrogen-bound excitons in GaP, giving the selection rules for electron-phonon coupling in the CC model, and showing that their strength can be well accounted for by the CC model. The apparently anomalous [ital X]'' peak of the LO-phonon sideband in GaP:N is shown to be associated with intervalley scattering in the conduction band. The MC model, which has been used in an attempt to explain the phonon sidebands of GaP:N in some previous work, is shown to be inapplicable to this case.

  7. A Study of Low-Dimensional S=1/2 Quantum Heisenberg Antiferromagnets; Simulation and Experiment

    NASA Astrophysics Data System (ADS)

    Keith, Brian C.

    We have simulated and analyzed the susceptibility of a series of two-dimensional (2D) spin-½ rectangular Heisenberg antiferromagnetic (as well as mixed exchange antiferromagnetic/ferromagnetic) lattices as a function of J,J' and temperature, where J is the dominant magnetic exchange interaction and J', the orthogonal interaction, is related to J by J' = alpha J, where alpha can vary from 0 to 1. Previous studies of the compounds pyrazineformatocopper(II) nitrate [Cu(pz)( HCO2)](NO3), catena-2-aminopyrimidinedichlorocopper(II) [Cu(2 - apm)Cl 2], and catena-pyrazinediazidocopper(II) [Cu( pz)(N3)2] indicated that these systems had 2D magnetic spin-spin interactions. However, there were no 2D models that could capture the behavior of any measurable bulk properties of the compounds. The previous authors fit the susceptibility data of the respective compounds to a 1D antiferromagnetic chain with a mean field correction, or did not fit the data at all. We use the simulations to create this fit function in order to test the 2D model proposed for these spin systems. The quantum phase transitions of a family of spin ladders, corresponding to the closure of the gap and the polarization of all spins, have been explored through high pulsed field magnetization techniques. Modeling the susceptibility data yields values which were used to simulate the high field magnetization data. The simulations confirm the upper and lower critical fields, with minor discrepancies between data and simulation that probably have to do with the peculiar background subtraction. Also, calculations of the critical fields are within 10% of the observed critical fields. Furthermore, randomness was introduced into the family of spin ladders and interesting effects arose from this doping. For Cu( qnx)(Cl1-xBr x)2, the energy gaps were found to vary little with dopant concentration while the paramagnetic susceptibility at low temperature appeared to be suppressed with increased dopant level. Again, for Cd

  8. Evidence for a gapped spin-liquid ground state in a kagome Heisenberg antiferromagnet

    DOE PAGESBeta

    Fu, Mingxuan; Imai, Takahashi; Han, Tian -Heng; Lee, Young S.

    2015-11-06

    Here, the kagome Heisenberg antiferromagnet is a leading candidate in the search for a spin system with a quantum spin-liquid ground state. The nature of its ground state remains a matter of active debate. We conducted oxygen-17 single-crystal nuclear magnetic resonance (NMR) measurements of the spin-1/2 kagome lattice in herbertsmithite [ZnCu3(OH)6Cl2], which is known to exhibit a spinon continuum in the spin excitation spectrum. We demonstrated that the intrinsic local spin susceptibility χkagome, deduced from the oxygen-17 NMR frequency shift, asymptotes to zero below temperatures of 0.03J, where J ~ 200 kelvin is the copper-copper superexchange interaction. Combined with themore » magnetic field dependence of χkagome that we observed at low temperatures, these results imply that the kagome Heisenberg antiferromagnet has a spin-liquid ground state with a finite gap.« less

  9. Evidence for a gapped spin-liquid ground state in a kagome Heisenberg antiferromagnet.

    PubMed

    Fu, Mingxuan; Imai, Takashi; Han, Tian-Heng; Lee, Young S

    2015-11-01

    The kagome Heisenberg antiferromagnet is a leading candidate in the search for a spin system with a quantum spin-liquid ground state. The nature of its ground state remains a matter of active debate. We conducted oxygen-17 single-crystal nuclear magnetic resonance (NMR) measurements of the spin-1/2 kagome lattice in herbertsmithite [ZnCu3(OH)6Cl2], which is known to exhibit a spinon continuum in the spin excitation spectrum. We demonstrated that the intrinsic local spin susceptibility χ(kagome), deduced from the oxygen-17 NMR frequency shift, asymptotes to zero below temperatures of 0.03J, where J ~ 200 kelvin is the copper-copper superexchange interaction. Combined with the magnetic field dependence of χ(kagome) that we observed at low temperatures, these results imply that the kagome Heisenberg antiferromagnet has a spin-liquid ground state with a finite gap. PMID:26542565

  10. Observability, Anschaulichkeit and Abstraction: A Journey into Werner Heisenberg's Science and Philosophy

    NASA Astrophysics Data System (ADS)

    Lacki, Jan

    2003-09-01

    Werner Heisenberg was one of the greatest physicists of the 20th century. He participated as a front rank actor in the shaping of a good part of XXth century physics and directly witnessed most of the intellectual struggles which led to what he called “Wandlungen in den Grundlagen der exakten Naturwissenschaft”. This expression is borrowed from one of the many talks and writings he devoted to the analysis of the scientific and philosophical implications of his, and his fellows physicists, findings. Indeed, Heisenberg's scientific activity increasingly reflected his more general intellectual views. This makes him another magnificent representative of a glorious linage going from the remote times of modern science to Einstein, Bohr and the like. This “philosophical” vein started early in his scientific life, and got stronger with time, prompted by the highly demanding scientific, but also social and political context of his mature years.

  11. Three-qubit thermal entanglement via entanglement swapping on two-qubit Heisenberg XY chains

    SciTech Connect

    Kao, Zi Chong; Ng, Jezreel; Yeo, Ye

    2005-12-15

    In this paper, we consider the generation of a three-qubit Greenberger-Horne-Zeilinger-like thermal state by applying the entanglement swapping scheme of Zukowski et al. [Ann. N. Y. Acad. Sci. 755, 91 (1995)] to three pairs of two-qubit Heisenberg XY chains. The quality of the resulting three-qubit entanglement is studied by analyzing the teleportation fidelity, when it is used as a resource in the teleportation protocol of Karlsson et al. [Phys. Rev. A 58, 4394 (1998)]. We show that even though thermal noise in the original two-qubit states is amplified by the entanglement swapping process, we are still able to achieve nonclassical fidelities for the anisotropic Heisenberg XY chains at finitely higher and higher temperatures by adjusting the strengths of an external magnetic field. This has a positive implication on the solid-state realization of a quantum computer.

  12. Aharonov-Bohm effect in quantum-to-classical correspondence of the Heisenberg principle

    SciTech Connect

    Lin, D.-H.; Chang, J.-G.; Hwang, C.-C.

    2003-04-01

    The exact energy spectrum and wave function of a charged particle moving in the Coulomb field and Aharonov-Bohm's magnetic flux are solved by the nonintegrable phase factor. The universal formula for the matrix elements of the radial operator r{sup {alpha}} of arbitrary power {alpha} is given by an analytical solution. The difference between the classical limit of matrix elements of inverse radius in quantum mechanics and the Fourier components of the corresponding quantity for the pure Coulomb system in classical mechanics is examined in reference to the correspondence principle of Heisenberg. Explicit calculation shows that the influence of nonlocal Aharonov-Bohm effect exists even in the classical limit. The semiclassical quantization rule for systems containing the topological effect is presented in the light of Heisenberg's corresponding principle.

  13. Undercompensated kondo impurity with quantum critical point

    PubMed

    Schlottmann

    2000-02-14

    The low-temperature properties of a magnetic impurity of spin S interacting with an electron gas via anisotropic spin exchange are studied via Bethe's ansatz. For S>1/2 the impurity is only partially compensated at T = 0, leaving an effective spin that is neither integer nor half integer. The entropy has an essential singularity at H = T = 0, and the susceptibility and the specific heat follow power laws of H and T with nonuniversal exponents, which are the consequence of a quantum critical point. The results for the generalization to an arbitrary number of channels are also reported. PMID:11017567

  14. Mapping itinerant electrons around Kondo impurities.

    PubMed

    Prüser, H; Wenderoth, M; Weismann, A; Ulbrich, R G

    2012-04-20

    We investigate single Fe and Co atoms buried below a Cu(100) surface using low temperature scanning tunneling spectroscopy. By mapping the local density of states of the itinerant electrons at the surface, the Kondo resonance near the Fermi energy is analyzed. Probing bulk impurities in this well-defined scattering geometry allows separating the physics of the Kondo system and the measuring process. The line shape of the Kondo signature shows an oscillatory behavior as a function of depth of the impurity as well as a function of lateral distance. The oscillation period along the different directions reveals that the spectral function of the itinerant electrons is anisotropic. PMID:22680744

  15. Chiral-glass transition in a diluted dipolar-interaction Heisenberg system

    NASA Astrophysics Data System (ADS)

    Zhang, Kai-Cheng; Liu, Gui-Bin; Zhu, Yan

    2011-05-01

    Recently, numerical simulations reveal that a spin-glass transition can occur in the three-dimensional diluted dipolar system. By defining the chirality of triple spins in a diluted dipolar Heisenberg spin glass, we study the chiral ordering in the system using parallel tempering algorithm and heat bath method. The finite-size scaling analysis reveals that the system undergoes a chiral-glass transition at finite temperature.

  16. An introduction to the spectrum, symmetries, and dynamics of spin-1/2 Heisenberg chains

    NASA Astrophysics Data System (ADS)

    Joel, Kira; Kollmar, Davida; Santos, Lea F.

    2013-06-01

    Quantum spin chains are prototype quantum many-body systems that are employed in the description of various complex physical phenomena. We provide an introduction to this subject by focusing on the time evolution of a Heisenberg spin-1/2 chain and interpreting the results based on the analysis of the eigenvalues, eigenstates, and symmetries of the system. We make available online all computer codes used to obtain our data.

  17. Heat kernel asymptotic expansions for the Heisenberg sub-Laplacian and the Grushin operator

    PubMed Central

    Chang, Der-Chen; Li, Yutian

    2015-01-01

    The sub-Laplacian on the Heisenberg group and the Grushin operator are typical examples of sub-elliptic operators. Their heat kernels are both given in the form of Laplace-type integrals. By using Laplace's method, the method of stationary phase and the method of steepest descent, we derive the small-time asymptotic expansions for these heat kernels, which are related to the geodesic structure of the induced geometries. PMID:25792966

  18. A discussion on the Heisenberg uncertainty principle from the perspective of special relativity

    NASA Astrophysics Data System (ADS)

    Nanni, Luca

    2016-09-01

    In this note, we consider the implications of the Heisenberg uncertainty principle (HUP) when computing uncertainties that affect the main dynamical quantities, from the perspective of special relativity. Using the well-known formula for propagating statistical errors, we prove that the uncertainty relations between the moduli of conjugate observables are not relativistically invariant. The new relationships show that, in experiments involving relativistic particles, limitations of the precision of a quantity obtained by indirect calculations may affect the final result.

  19. Genome wide expression profiling of angiogenic signaling and the Heisenberg uncertainty principle.

    PubMed

    Huber, Peter E; Hauser, Kai; Abdollahi, Amir

    2004-11-01

    Genome wide DNA expression profiling coupled with antibody array experiments using endostatin to probe the angiogenic signaling network in human endothelial cells were performed. The results reveal constraints on the measuring process that are of a similar kind as those implied by the uncertainty principle of quantum mechanics as described by Werner Heisenberg. We describe this analogy and argue for its heuristic utility in the conceptualization of angiogenesis as an important step in tumor formation.

  20. Impurity Crystal in a Bose-Einstein Condensate

    SciTech Connect

    Roberts, David C.; Rica, Sergio

    2009-01-16

    We investigate the behavior of impurity fields immersed in a larger condensate field in various dimensions. We discuss the localization of a single impurity field within a condensate and note the effects of surface energy. We derive the functional form of the attractive condensate-mediated interaction between two impurities. Generalizing the analysis to N impurity fields, we show that within various parameter regimes a crystal of impurity fields can form spontaneously in the condensate. Finally, the system of condensate and crystallized impurity structure is shown to have nonclassical rotational inertia, which is characteristic of superfluidity; i.e., the system can be seen to exhibit supersolid behavior.

  1. Influence of impurities on the crystallization of dextrose monohydrate

    NASA Astrophysics Data System (ADS)

    Markande, Abhay; Nezzal, Amale; Fitzpatrick, John; Aerts, Luc; Redl, Andreas

    2012-08-01

    The effects of impurities on dextrose monohydrate crystallization were investigated. Crystal nucleation and growth kinetics in the presence of impurities were studied using an in-line focused beam reflectance monitoring (FBRM) technique and an in-line process refractometer. Experimental data were obtained from runs carried out at different impurity levels between 4 and 11 wt% in the high dextrose equivalent (DE) syrup. It was found that impurities have no significant influence on the solubility of dextrose in water. However, impurities have a clear influence on the nucleation and growth kinetics of dextrose monohydrate crystallization. Nucleation and growth rate were favored by low levels of impurities in the syrup.

  2. Lanczos transformation for quantum impurity problems in d-dimensional lattices: Application to graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Büsser, C. A.; Martins, G. B.; Feiguin, A. E.

    2013-12-01

    We present a completely unbiased and controlled numerical method to solve quantum impurity problems in d-dimensional lattices. This approach is based on a canonical transformation, of the Lanczos form, where the complete lattice Hamiltonian is exactly mapped onto an equivalent one-dimensional system, in the same spirit as Wilson's numerical renormalization, and Haydock's recursion method. We introduce many-body interactions in the form of a Kondo or Anderson impurity and we solve the low-dimensional problem using the density matrix renormalization group. The technique is particularly suited to study systems that are inhomogeneous, and/or have a boundary. The resulting dimensional reduction translates into a reduction of the scaling of the entanglement entropy by a factor Ld-1, where L is the linear dimension of the original d-dimensional lattice. This allows one to calculate the ground state of a magnetic impurity attached to an L×L square lattice and an L×L×L cubic lattice with L up to 140 sites. We also study the localized edge states in graphene nanoribbons by attaching a magnetic impurity to the edge or the center of the system. For armchair metallic nanoribbons we find a slow decay of the spin correlations as a consequence of the delocalized metallic states. In the case of zigzag ribbons, the decay of the spin correlations depends on the position of the impurity. If the impurity is situated in the bulk of the ribbon, the decay is slow as in the metallic case. On the other hand, if the adatom is attached to the edge, the decay is fast, within few sites of the impurity, as a consequence of the localized edge states, and the short correlation length. The mapping can be combined with ab initio band structure calculations to model the system, and to understand correlation effects in quantum impurity problems starting from first principles.

  3. Spin noise and magnetic screening of impurities in a BCS superconductor

    NASA Astrophysics Data System (ADS)

    Le Dall, Matthias; da Silva, Luis G. G. V. Dias; de Sousa, Rogério

    The coupling of a localized impurity to a BCS superconductor (SC) leads to the formation of impurity Cooper-pairs via the proximity effect, generating two bound states within the SC energy gap, the so-called Yu-Rusinov-Shiba (YSR) states. They are similar to the Andreev Bound States that originate from Andreev reflection, e.g. when the impurity is hosted in a Josephson junction, and are known to produce sharp sub-gap resonances in charge noise [de Sousa et al., PRB 2009], providing a natural explanation for the observation of microresonators in superconducting devices [Simmonds et al., PRL 2004]. Here we present a theory for the spin noise generated by magnetic impurities in a SC, and discuss the impact of the Shiba states on models of flux noise in superconducting qubits. We use a combination of analytical methods and the numerical renormalization group technique to calculate the spin noise of an Anderson impurity in a SC, unveiling the competition between the proximity effect and Kondo correlations. Both mechanisms produce magnetic screening and a corresponding reduction in spin noise, giving rise to new insights on the kinds of impurities that are responsible for the observed 1 /fα flux noise in superconducting circuits. This research is supported by NSERC CRD/478366-2015.

  4. The influence of a homologous protein impurity on lysozyme crystal growth

    NASA Astrophysics Data System (ADS)

    Bhamidi, V.; Hanson, B. L.; Edmundson, A.; Skrzypczak-Jankun, E.; Schall, C.

    1999-08-01

    The effect of a structurally similar protein impurity, turkey ( Meleagris gallopavo) egg-white lysozyme (TEWL) on crystallization of the host protein, hen-egg-white lysozyme (HEWL) from chicken ( Gallus gallus) was studied under varying impurity and host solution concentrations. A change in morphology is observed when crystals of HEWL are grown in the presence of TEWL. As the relative amount of TEWL increases, HEWL crystals become more elongated in the [0 0 1] direction. Elongation is more pronounced in samples with lower initial concentrations of HEWL than in samples with higher initial concentrations. This behavior is consistent with that of impurities in small molecule crystal growth and with predictions based on the Kubota-Mullin model. The observed effect on the growth process can be attributed to the apparent inhibition in the [1 1 0] crystal growth direction of HEWL by TEWL since slowly growing faces become dominant faces in crystal growth. Incorporation of TEWL into HEWL crystals grown in a sitting drop batch method was measured using cation exchange chromatography. The results indicate that impurity incorporation is associated with increasing supersaturation. This conclusion is consistent with a kinetically controlled process of impurity incorporation. The observed impurity effects are most probably associated with the interchange of glutamine in position 41 of HEWL by histidine in TEWL.

  5. Periodic trends governing the interactions between impurity atoms [H-Ar] and (alpha)-U

    SciTech Connect

    Taylor, Christopher David

    2008-01-01

    The binding energies, geometries, charges and electronic structures of a series of impurity atoms [H-Ar] interacting with the {alpha}-U lattice in various configurations were assessed by means of density functional theory calculations. Periodic trends governing the binding energy were highlighted and related to the electronic properties of the impurity atoms, with some consideration given to the band-structure of {alpha}-U. The strongest bound impurity atoms include [C, N, O] and [Si, P, S]. The general trends in the binding energy can be reproduced by a simple parameterisation in terms of the electronegativity (charge-transfer) and covalent radius (elasticity theory) of the impurity atom. The strongest bound atoms deviate from this model, due to their ability to bind with an optimum mixture of covalency and ionicity. This last point is evidenced by the partial overlap of the impurity atom p-band with the hybrid d-/f-band of {alpha}-U. It is expected that the trends and general behaviour reported in this work can be extended to the interactions of impurity atoms with other metallic systems.

  6. Effects of impurity states on exchange coupling in Fe/Fe3O4 junctions

    NASA Astrophysics Data System (ADS)

    Inoue, J.; Honda, S.; Itoh, H.; Mibu, K.; Yanagihara, H.; Kita, E.

    2012-05-01

    Exchange coupling (EC) in Fe/Fe3O4 junctions containing magnetic impurities and in-gap states at the interface is calculated using a formula obtained by a cleaved layer method. The model for EC is constructed by performing first-principles calculations of the electronic and magnetic states of Co, Mn, and Cr impurities on the Fe surface and those of in-gap states in a bulk γ-Fe2O3, which has the same lattice structure as Fe3O4 but contains Fe defects. We show that the effect of Co impurities on EC is opposite to that of Cr and Mn impurities and that in-gap states tend to cause parallel magnetization alignment of two ferromagnets. These results are attributed to the change in electronic states caused by the presence of impurities. Further, we compare calculated results with experimental ones obtained in Fe/Fe3O4 junctions and suggest that doping magnetic impurities at the interface could be a useful way to control the magnitude and sign of the EC.

  7. The Krichever map, vector bundles over algebraic curves, and Heisenberg algebras

    NASA Astrophysics Data System (ADS)

    Adams, M. R.; Bergvelt, M. J.

    1993-06-01

    We study the Grassmannian Gr {/x n } consisting of equivalence classes of rank n algebraic vector bundles over a Riemann surface X with an holomorphic trivialization at a fixed point p. Commutative subalgebras of gl(n, H λ), H λ being the ring of functions holomorphic on a punctured disc about p, define flows on the Grassmannian, giving rise to classes of solutions to multi-component KP hierarchies. These commutative subalgebras correspond to Heisenberg algebras in the Kac-Moody algebra associated to gl(n, H λ). One can obtain, by the Krichever map, points of Gr {/x n } (and solutions of mcKP) from coverings f: Y→X and other geometric data. Conversely for every point of Gr {/x n } and for every choice of Heisenberg algebra we construct, using the cotangent bundle of Gr {/x n }, an algebraic curve covering X and other data, thus inverting the Krichever map. We show the explicit relation between the choice of Heisenberg algebra and the geometry of the covering space.

  8. Proportionality of the interfacial Dzyaloshinskii-Moriya interaction and the Heisenberg exchange

    NASA Astrophysics Data System (ADS)

    Nembach, Hans; Shaw, Justin; Weiler, Mathias; Jué, Emilie; Silva, Tom

    The Dzyaloshinkii-Moriya interaction (DMI) gives rise to chiral magnetic ordering and a shift of spin-wave frequencies, depending on their propagation direction. We employed Brillouin-Light-Scattering spectroscopy to measure this nonreciprocal frequency shift, which allowed us to directly determine the magnitude of the DMI in a series of Ni80Fe20(t)/Pt thin film bilayers where the thickness t ranged from 1 to 13 nm. It has also been predicted by theory that the DMI is proportional to the Heisenberg exchange for bulk magnetic oxides and metallic spin-glasses. We tested this prediction for our metallic system by independently determining the Heisenberg exchange via fitting the Bloch T3/2-law to the temperature dependence of the magnetization obtained from SQUID magnetometry. We find that the Ni80Fe20 thickness dependence of the DMI and the Heisenberg exchange are identical, which is consistent with the notion that both effects share the same underlying physics. This result will lead us to a deeper understanding of the DMI and related spin-orbitronic effects.-/

  9. Dynamics of hot random quantum spin chains: from anyons to Heisenberg spins

    NASA Astrophysics Data System (ADS)

    Parameswaran, Siddharth; Potter, Andrew; Vasseur, Romain

    2015-03-01

    We argue that the dynamics of the random-bond Heisenberg spin chain are ergodic at infinite temperature, in contrast to the many-body localized behavior seen in its random-field counterpart. First, we show that excited-state real-space renormalization group (RSRG-X) techniques suffer from a fatal breakdown of perturbation theory due to the proliferation of large effective spins that grow without bound. We repair this problem by deforming the SU (2) symmetry of the Heisenberg chain to its `anyonic' version, SU(2)k , where the growth of effective spins is truncated at spin S = k / 2 . This enables us to construct a self-consistent RSRG-X scheme that is particularly simple at infinite temperature. Solving the flow equations, we compute the excited-state entanglement and show that it crosses over from volume-law to logarithmic scaling at a length scale ξk ~eαk3 . This reveals that (a) anyon chains have random-singlet-like excited states for any finite k; and (b) ergodicity is restored in the Heisenberg limit k --> ∞ . We acknowledge support from the Quantum Materials program of LBNL (RV), the Gordon and Betty Moore Foundation (ACP), and UC Irvine startup funds (SAP).

  10. Ba2Cu2Te2P2O13: A new telluro-phosphate with S=1/2 Heisenberg chain

    NASA Astrophysics Data System (ADS)

    Xia, Mingjun; Shen, Shipeng; Lu, Jun; Sun, Young; Li, R. K.

    2015-10-01

    A new telluro-phosphate compound Ba2Cu2Te2P2O13 with S=1/2 Heisenberg chain has been successfully synthesized by solid state reaction and grown by flux method. Single crystal X-ray diffraction reveals that Ba2Cu2Te2P2O13 crystallizes into a monoclinic space group C2/c and cell parameters of a=17.647(3) Å, b=7.255(2) Å, c=9.191(2) Å and β=100.16 (3)°. In the structure of Ba2Cu2Te2P2O13, one dimensional [CuTePO7]3- chains are formed by tetrahedral PO4 and trigonal bi-pyramidal TeO4 joining square planar CuO4 groups. Those [CuTePO7]3- chains are inter-connected by sharing one oxygen atom from the TeO4 group to form two dimensional layers. Magnetic susceptibility and specific heat measurements confirm that the title compound is a model one dimensional Heisenberg antiferromagnetic chain system.

  11. Study of the Effects of Impurities on the Properties of Silicon Materials and Performance of Silicon Solar Cell

    NASA Technical Reports Server (NTRS)

    Sah, C. T.

    1979-01-01

    Numerical solutions were obtained from the exact one dimensional transmission line circuit model to study the following effects on the terrestrial performance of silicon solar cells: interband Auger recombination; surface recombination at the contact interfaces; enhanced metallic impurity solubility; diffusion profiles; and defect-impurity recombination centers. Thermal recombination parameters of titanium impurity in silicon were estimated from recent experimental data. Based on those parameters, computer model calculations showed that titanium concentration must be kept below 6x10 to the 12th power Ti/cu cm in order to achieve 16% AM1 efficiency in a silicon solar cell of 250 micrometers thick and 1.5 ohm-cm resistivity.

  12. Spectral properties of superconductors with ferromagnetically ordered magnetic impurities

    NASA Astrophysics Data System (ADS)

    Persson, Daniel; Shevtsov, Oleksii; Löfwander, Tomas; Fogelström, Mikael

    2015-12-01

    We present a comprehensive theoretical study of thermodynamic properties of superconductors with a dilute concentration of magnetic impurities, with focus on how the properties of the superconducting host change if the magnetic moments of the impurities order ferromagnetically. Scattering off the magnetic impurities leads to the formation of a band of Yu-Shiba-Rusinov states within the superconducting energy gap that drastically influences superconductivity. In the magnetically ordered system, the magnetization displays a sudden drop as a function of the impurity density or magnetic moment amplitude. The drop occurs as the spin-polarized impurity band crosses the Fermi level and is associated with a quantum phase transition first put forward by Sakurai for the single impurity case. Taking into account that the background magnetic field created by the ordered impurity moments enters as a Zeeman shift, we find that the superconducting phase transition changes from second order to first order for high enough impurity concentrations.

  13. Process and system for removing impurities from a gas

    DOEpatents

    Henningsen, Gunnar; Knowlton, Teddy Merrill; Findlay, John George; Schlather, Jerry Neal; Turk, Brian S

    2014-04-15

    A fluidized reactor system for removing impurities from a gas and an associated process are provided. The system includes a fluidized absorber for contacting a feed gas with a sorbent stream to reduce the impurity content of the feed gas; a fluidized solids regenerator for contacting an impurity loaded sorbent stream with a regeneration gas to reduce the impurity content of the sorbent stream; a first non-mechanical gas seal forming solids transfer device adapted to receive an impurity loaded sorbent stream from the absorber and transport the impurity loaded sorbent stream to the regenerator at a controllable flow rate in response to an aeration gas; and a second non-mechanical gas seal forming solids transfer device adapted to receive a sorbent stream of reduced impurity content from the regenerator and transfer the sorbent stream of reduced impurity content to the absorber without changing the flow rate of the sorbent stream.

  14. In-situ impurity measurements in PDX Edge plasma

    SciTech Connect

    Staib, P.; Dylla, H.F.; Rossnagel, S.M.

    1980-07-01

    The surface analysis station of PDX combines several surface analysis techniques (AES, XPS, SIMS) for in-situ measurement of impurity fluxes in the edge-plasma. The major impurities deposited on a sample surface during nondiverted PDX discharges are oxygen, titanium (limiter material) and chlorine. The impurity fluxes measured at different radial positions decreased by a factor of ten from the plasma edge to the wall. The sample surface collecting the impurity ions is located behind a circular aperture. The observed broadening of the deposition profile of Ti relative to the aperture diameter enables an estimate to be made of the ratio of charge state/energy of Ti ions in the edge plasma. Time-resolved analyses of the deposited impurities are presented which indicate that the time behavior for various impurities may be quite different for different impurity species. This aspect is discussed in relation to probable impurity release mechanisms.

  15. Distribution Coefficients of Impurities in Metals

    NASA Astrophysics Data System (ADS)

    Pearce, J. V.

    2014-04-01

    Impurities dissolved in very pure metals at the level of parts per million often cause an elevation or depression of the freezing temperature of the order of millikelvins. This represents a significant contribution to the uncertainty of standard platinum resistance thermometer calibrations. An important parameter for characterizing the behavior of impurities is the distribution coefficient , which is the ratio of the solid solubility to liquid solubility. A knowledge of for a given binary system is essential for contemporary methods of evaluating or correcting for the effect of impurities, and it is therefore of universal interest to have the most complete set of values possible. A survey of equilibrium values of (in the low concentration limit) reported in the literature for the International Temperature Scale of 1990 fixed points of Hg, Ga, In, Sn, Zn, Al, Au, Ag, and Cu is presented. In addition, thermodynamic calculations of using MTDATA are presented for 170 binary systems. In total, the combined values of from all available sources for 430 binary systems are presented. In addition, by considering all available values of for impurities in 25 different metal solvents (1300 binary systems) enough data are available to characterize patterns in the value of for a given impurity as a function of its position in the periodic table. This enables prediction of for a significant number of binary systems for which data and calculations are unavailable. By combining data from many sources, values of for solutes (atomic number from 1 to 94) in ITS-90 fixed points from Hg to Cu are suggested, together with some tentative predicted values where literature data and calculations are unavailable.

  16. Overview of SOFC Anode Interactions with Coal Gas Impurities

    SciTech Connect

    O. A. Marina; L. R. Pederson; R. Gemmen; K. Gerdes; H. Finklea; I. B. Celik

    2010-03-01

    An overview of the results of SOFC anode interactions with phosphorus, arsenic, selenium, sulfur, antimony, and hydrogen chloride as single contaminants or in combinations is discussed. Tests were performed using both anode- and electrolyte-supported cells in synthetic and actual coal gas for periods greater than 1000 hours. Post-test analyses were performed to identify reaction products formed and their distribution, and compared to phases expected from thermochemical modeling. The ultimate purpose of this work is to establish maximum permissible concentrations for impurities in coal gas, to aid in the selection of appropriate coal gas clean-up technologies.

  17. Overview of SOFC Anode Interactions with Coal Gas Impurities

    SciTech Connect

    Marina, Olga A.; Pederson, Larry R.; Gemmen, Randall; Gerdes, Kirk; Finklea, Harry; Celik, Ismail B.

    2010-05-01

    An overview of the results of SOFC anode interactions with phosphorus, arsenic, selenium, sulfur, antimony, and hydrogen chloride as single contaminants or in combinations is discussed. Tests were performed using both anode- and electrolyte-supported cells in synthetic and actual coal gas for periods greater than 1000 hours. Post-test analyses were performed to identify reaction products formed and their distribution, and compared to phases expected from thermochemical modeling. The ultimate purpose of this work is to establish maximum permissible concentrations for impurities in coal gas, to aid in the selection of appropriate coal gas clean-up technologies.

  18. A mechanistic study of impurity segregation at silicon grain boundaries

    NASA Astrophysics Data System (ADS)

    Käshammer, Peter; Sinno, Talid

    2015-09-01

    The segregation behavior of carbon and oxygen atoms at various silicon grain boundaries was studied using a combination of atomistic simulation and analytical modeling. First, quasi-lattice Grand Canonical Monte Carlo simulations were used to compute segregation isotherms as a function of grain boundary type, impurity atom loading level, and temperature. Next, the atomistic results were employed to regress different analytical segregation models and extract thermodynamic and structural properties. The multilayer Brunauer-Emmett-Teller (BET) isotherm was found to quantitatively capture all the simulation conditions probed in this work, while simpler, single layer models such as the Langmuir-McLean model did not. Some of the BET parameters, namely, the binding free energy of the first adsorption layer and the impurity holding capacity of each layer, were tested for correlation with various measures of grain boundary structure and/or mechanical properties. It was found that certain measures of the atomistic stress distribution correlate strongly with the first-layer binding free energy for substitutional carbon atoms, while common grain boundary identifiers such as sigma value and energy density are not useful in this regard. Preliminary analysis of the more complex case of interstitial oxygen segregation showed that similar measures based on atomistic stress also may be useful here, but more systematic correlative studies are needed to develop a comprehensive picture.

  19. Interleaved numerical renormalization group as an efficient multiband impurity solver

    NASA Astrophysics Data System (ADS)

    Stadler, K. M.; Mitchell, A. K.; von Delft, J.; Weichselbaum, A.

    2016-06-01

    Quantum impurity problems can be solved using the numerical renormalization group (NRG), which involves discretizing the free conduction electron system and mapping to a "Wilson chain." It was shown recently that Wilson chains for different electronic species can be interleaved by use of a modified discretization, dramatically increasing the numerical efficiency of the RG scheme [Phys. Rev. B 89, 121105(R) (2014), 10.1103/PhysRevB.89.121105]. Here we systematically examine the accuracy and efficiency of the "interleaved" NRG (iNRG) method in the context of the single impurity Anderson model, the two-channel Kondo model, and a three-channel Anderson-Hund model. The performance of iNRG is explicitly compared with "standard" NRG (sNRG): when the average number of states kept per iteration is the same in both calculations, the accuracy of iNRG is equivalent to that of sNRG but the computational costs are significantly lower in iNRG when the same symmetries are exploited. Although iNRG weakly breaks SU(N ) channel symmetry (if present), both accuracy and numerical cost are entirely competitive with sNRG exploiting full symmetries. iNRG is therefore shown to be a viable and technically simple alternative to sNRG for high-symmetry models. Moreover, iNRG can be used to solve a range of lower-symmetry multiband problems that are inaccessible to sNRG.

  20. Screening of charged impurities as a possible mechanism for conductance change in graphene gas sensing

    NASA Astrophysics Data System (ADS)

    Liang, Sang-Zi; Chen, Gugang; Harutyunyan, Avetik R.; Sofo, Jorge O.

    2014-09-01

    In carbon nanotube and graphene gas sensing, the measured conductance change after the sensor is exposed to target molecules has been traditionally attributed to carrier density change due to charge transfer between the sample and the adsorbed molecule. However, this explanation has many problems when it is applied to graphene: The increased amount of Coulomb impurities should lead to decrease in carrier mobility which was not observed in many experiments, carrier density is controlled by the gate voltage in the experimental setup, and there are inconsistencies in the energetics of the charge transfer. In this paper we explore an alternative mechanism. Charged functional groups and dipolar molecules on the surface of graphene may counteract the effect of charged impurities on the substrate. Because scattering of electrons with these charged impurities has been shown to be the limiting factor in graphene conductivity, this leads to significant changes in the transport behavior. A model for the conductivity is established using the random phase approximation dielectric function of graphene and the first-order Born approximation for scattering. The model predicts optimal magnitudes for the charge and dipole moment which maximally screen a given charged impurity. The dipole screening is shown to be generally weaker than the charge screening although the former becomes more effective with higher gate voltage away from the charge neutrality point. The model also predicts that with increasing amount of adsorbates, the charge impurities eventually become saturated and additional adsorption always lead to decreasing conductivity.