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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. Rotated Heisenberg model

    NASA Astrophysics Data System (ADS)

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

    2015-03-01

    We show that Rotated Heisenberg (RH) model is a new class of quantum spin models to describe magnetic materials with strong spin-orbit couplings (SOC). We introduce Wilson loops to characterize frustrations and gauge equivalent class. For a special equivalent class, we identify a new spin-orbital entangled commensurate ground state. It supports a novel gapped elementary excitation named as in-commensurate magnons which have two gap minima continuously tuned by the SOC strength. At low temperatures, the in-commensurate magnons lead to dramatic effects in all physical quantities such as density of states, specific heat, magnetization and various spin correlation functions. At high temperatures, the specific heat and transverse spin structure factors depend on the SOC strength explicitly. We argue that one gauge may be realized in current experiments and other gauges may also be realized in near future experiments. Various experimental detections are discussed. This work is supported by NSF-DMR-1161497, NSFC-11174210.

  3. Local Magnetization in the Impure Spin 1/2 Anisotropic Ising-Heisenberg Chains

    NASA Astrophysics Data System (ADS)

    Gildenblat, Gennady

    A theory of the Friedel-type oscillations of the local magnetization in the impure antiferromagnetic spin 1/2 chains is developed using the Green function equations of motion in the pseudo-fermion representation. For the isotropic XY (XX) chain, the problem is solved exactly, while the Ising-Heisenberg model is investigated numerically within a temperature-dependent Hartree-Fock approximation. It is shown that the Hartree-Fock self consistency equations for the uniformly magnetized XXZ chain can be recovered as a particular case of the formalism developed in the present work. Comparison with the earlier perturbation theory treatment in a free-fermion approximation reveals that the magnetic field dependence of the perturbation of the local magnetization is sensitive to the formation of the localized states and the exact form of the energy dispersion law of the quasi-particles. In particular it is shown that the perturbations of the local magnetization in the impure spin 1/2 chains disappear in the absence of the external magnetic field. Using the exact solution for the XY chain it is shown that unless the localized energy levels are formed outside the pseudo-fermion energy band the singularity of the local magnetization existing in the pure chain disappears at an arbitrary distance from the single impurity spin. For the ferromagnetic chain with the ferromagnetically coupled impurity the solution of the Hartree-Fock equations at low temperatures agrees reasonably with the results of the linear spin-wave theory. If the impurity is antiferromagnetically coupled, then, in contrast with the results of the spin -wave theory, the Hartree-Fock approximation agrees with the exact result for the zero-field ground state spin defect at the impurity site. Unlike the previous methods, the technique developed in this work permits investigation of the whole temperature range and predicts the correct Curie-Weiss behavior at sufficiently large temperatures.

  4. Anomalous Curie Response of Impurities in Quantum-Critical Spin-1/2 Heisenberg Antiferromagnets

    NASA Astrophysics Data System (ADS)

    Höglund, Kaj H.; Sandvik, Anders W.

    2007-07-01

    We consider a magnetic impurity in two different S=1/2 Heisenberg bilayer antiferromagnets at their respective critical interlayer couplings separating Néel and disordered ground states. We calculate the impurity susceptibility using a quantum Monte Carlo method. With intralayer couplings in only one of the layers (Kondo lattice), we observe an anomalous Curie constant C*, as predicted on the basis of field-theoretical work [S. Sachdev , Science 286, 2479 (1999)SCIEAS0036-807510.1126/science.286.5449.2479]. The value C*=0.262±0.002 is larger than the normal Curie constant C=S(S+1)/3. Our low-temperature results for a symmetric bilayer are consistent with a universal C*.

  5. Anomalous Curie response of an impurity in a quantum critical spin-1/2 Heisenberg antiferromagnet

    NASA Astrophysics Data System (ADS)

    Höglund, Kaj; Sandvik, Anders

    2007-03-01

    There is a disagreement concerning the low-temperature (T) magnetic susceptibility χ^zimp˜C/T of a spin-S impurity in a nearly quantum critical antiferromagnetic host. Field-theoretical work [1] predicted an anomalous Curie constant S^2/30 quantum Monte Carlo simulations in order to resolve the controversy. Our main result is for a vacancy in a quantum critical spin-1/2 Heisenberg antiferromagnet on a bilayer lattice. In our susceptibility data for the S=1/2 impurity we observe a Curie constant C=0.262(2). Although the value falls outside the predicted range, it should correspond to an anomalous impurity response, as proposed in Ref. [1]. [1] S. Sachdev, C. Buragohain, and M. Vojta, Science 286, 2479 (1999); M. Vojta, C. Buragohain, and S. Sachdev, Phys. Rev. B 61, 15152 (2000). [2] O. P. Sushkov, Phys. Rev. B 62, 12135 (2000). [3] M. Troyer, Prog. Theor. Phys. Supp. 145, 326 (2002).

  6. 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.

  7. Effect of the site dilution on spin transport in the two-dimensional biquadratic Heisenberg model

    NASA Astrophysics Data System (ADS)

    Lima, L. S.

    2016-05-01

    We use the SU(3) Schwinger's boson theory to study the spin transport in the biquadratic Heisenberg chains in a square lattice with a distribution of non-magnetic impurities on the lattice. We verify the influence of the site dilution in the Ac and Dc spin conductivities of this model in the Bose-Einstein condensation regime in which the bosons t are condensed. Our results show that the decreasing of the gap Δ with -β suffers a change for different concentrations x of non-magnetic impurities, however the point (in the -β axis) where the gap cancels does not change with x. Therefore, the size of the region ω, where the spin conductivity goes to zero decreases with the increase of x until the point where x=0.5, where the size of this region tends to zero.

  8. Thermal entanglement in a four-qubit Heisenberg spin model with external magnetic fields

    NASA Astrophysics Data System (ADS)

    Wu, Ke-Dong; Zhou, Bin; Cao, Wan-Qiang

    2007-03-01

    The entanglement properties both in the four-qubit anisotropic Heisenberg XY chain with uniform external magnetic fields and in the Heisenberg XX model with two external fields are investigated. The analytical expressions for the measures of entanglement are obtained. In Heisenberg XY chain, the effects of the anisotropy on the thermal entanglement are studied. In the Heisenberg XX ring with two external fields, it is found that a high pair entanglement can be obtained.

  9. 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.

  10. 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.

  11. A Symmetrized Basis for Transitions in the Heisenberg Model

    NASA Astrophysics Data System (ADS)

    Haydock, Roger; Nex, C. M. M.

    2013-03-01

    The spin-S Heisenberg model has 2S+1 states on each site, for which there are (2S+1)2 possible transitions between these states. For N sites there are (2S+1)N states and (2S+1)2N transitions between states. This rapid increase in the number of transitions with sites appears to limit calculations to just a few sites. However for transitions induced by spin-spin interactions, we construct a symmetrized basis which only grows as 2N-3, making possible computations for much larger systems. Supported by the Richmond F. Snyder Fund.

  12. Chiral Spin Liquid in a Frustrated Anisotropic Kagome Heisenberg Model

    NASA Astrophysics Data System (ADS)

    He, Yin-Chen; Sheng, D. N.; Chen, Yan

    2014-04-01

    Kalmeyer-Laughlin (KL) chiral spin liquid (CSL) is a type of quantum spin liquid without time-reversal symmetry, and it is considered as the parent state of an exotic type of superconductor—anyon superconductor. Such an exotic state has been sought for more than twenty years; however, it remains unclear whether it can exist in a realistic system where time-reversal symmetry is breaking (T breaking) spontaneously. By using the density matrix renormalization group, we show that KL CSL exists in a frustrated anisotropic kagome Heisenberg model, which has spontaneous T breaking. We find that our model has two topological degenerate ground states, which exhibit nonvanishing scalar chirality order and are protected by finite excitation gap. Furthermore, we identify this state as KL CSL by the characteristic edge conformal field theory from the entanglement spectrum and the quasiparticles braiding statistics extracted from the modular matrix. We also study how this CSL phase evolves as the system approaches the nearest-neighbor kagome Heisenberg model.

  13. Spin Liquid in the Triangular Lattice Heisenberg Model

    NASA Astrophysics Data System (ADS)

    McCulloch, Ian; Saadatmand, Seyed

    We report the results of a large-scale numerical study of the spin-1/2 Heisenberg model on the triangular lattice, with nearest- and next-nearest neighbor interactions. Using SU(2)-invariant iDMRG for infinite cylinders, we focus on the YC12 structure (with a circumference of 12 sites), and obtain 4 candidate groundstates, corresponding to even/odd spinon sectors, each with linear and projective representations of the cylinder geometry. The momentum-resolved entanglement spectrum reveals the structure of the low-lying spinon excitations. Contrary to some recent works, we find no evidence for chiral symmetry breaking. Supported by the ARC Centre for Engineered Quantum Systems.

  14. 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.

  15. Frustrated square lattice Heisenberg model and magnetism in Iron Telluride

    NASA Astrophysics Data System (ADS)

    Zaliznyak, Igor; Xu, Zhijun; Gu, Genda; Tranquada, John; Stone, Matthew

    2011-03-01

    We have measured spin excitations in iron telluride Fe1.1Te, the parent material of (1,1) family of iron-based superconductors. It has been recognized that J1-J2-J3 frustrated Heisenberg model on a square lattice might be relevant for the unusual magnetism and, perhaps, the superconductivity in cuprates [1,2]. Recent neutron scattering measurements show that similar frustrated model might also provide reasonable account for magnetic excitations in iron pnictide materials. We find that it also describes general features of spin excitations in FeTe parent compound observed in our recent neutron measurements, as well as in those by other groups. Results imply proximity of magnetic system to the limit of extreme frustration. Selection of spin ground state under such conditions could be driven by weak extrinsic interactions, such as lattice distortion, or strain. Consequently, different nonuniversal types of magnetic order could arise, both commensurate and incommensurate. These are not necessarily intrinsic to an ideal J1-J2-J3 model, but might result from lifting of its near degeneracy by weak extrinsic perturbations.

  16. Landau-Heisenberg Hamiltonian model for FeRh

    NASA Astrophysics Data System (ADS)

    Derlet, P. M.

    2012-05-01

    An empirical model is developed for the FeRh system with the view of gaining further insight into the first-order antiferromagnetic-ferromagnetic (AFM-FM) and volume phase transition known to occur at 370 K. A volume-per-atom dependent minimal nearest neighbor Landau-Heisenberg Hamiltonian is employed in which longitudinal and transverse moment fluctuations are considered for both the Fe and Rh atoms. As a function of volume-per-atom, the corresponding onsite Landau function coefficients and the nearest-neighbor exchange parameters are fitted directly to a wide range of existing colinear and noncolinear density functional theory calculations. Using a developed Monte Carlo strategy the thermal properties of the AFM and FM phases are investigated, as well as the phase transition. It is found that the model is able to describe well the thermal expansion, heat capacities and the associated entropy increase that accompanies the magnetic/volume phase transition. The model suggests an equally important role for the magnetic and volume fluctuations in driving the phase transition.

  17. 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.

  18. The infinite range Heisenberg model and high temperature superconductivity

    NASA Astrophysics Data System (ADS)

    Tahir-Kheli, Jamil

    1992-01-01

    The thesis deals with the theory of high temperature superconductivity from the standpoint of three-band Hubbard models.Chapter 1 of the thesis proposes a strongly coupled variational wavefunction that has the three-spin system of an oxygen hole and its two neighboring copper spins in a doublet and the background Cu spins in an eigenstate of the infinite range antiferromagnet. This wavefunction is expected to be a good "zeroth order" wavefunction in the superconducting regime of dopings. The three-spin polaron is stabilized by the hopping terms rather than the copper-oxygen antiferromagnetic coupling Jpd. Considering the effect of the copper-copper antiferromagnetic coupling Jdd, we show that the three-spin polaron cannot be pure Emery (Dg), but must have a non-negligible amount of doublet-u (Du) character for hopping stabilization. Finally, an estimate is made for the magnitude of the attractive coupling of oxygen holes.Chapter 2 presents an exact solution to a strongly coupled Hamiltonian for the motion of oxygen holes in a 1-D Cu-O lattice. The Hamiltonian separates into two pieces: one for the spin degrees of freedom of the copper and oxygen holes, and the other for the charge degrees of freedom of the oxygen holes. The spinon part becomes the Heisenberg antiferromagnet in 1-D that is soluble by the Bethe Ansatz. The holon piece is also soluble by a Bethe Ansatz with simple algebraic relations for the phase shifts.Finally, we show that the nearest neighbor Cu-Cu spin correlation increases linearly with doping and becomes positive at x [...] 0.70.

  19. Infinite-range Heisenberg model and high-temperature superconductivity

    NASA Astrophysics Data System (ADS)

    Tahir-Kheli, Jamil; Goddard, William A., III

    1993-11-01

    A strongly coupled variational wave function, the doublet spin-projected Néel state (DSPN), is proposed for oxygen holes in three-band models of high-temperature superconductors. This wave function has the three-spin system of the oxygen hole plus the two neighboring copper atoms coupled in a spin-1/2 doublet. The copper spins in the neighborhood of a hole are in an eigenstate of the infinite-range Heisenberg antiferromagnet (SPN state). The doublet three-spin magnetic polaron or hopping polaron (HP) is stabilized by the hopping terms tσ and tτ, rather than by the copper-oxygen antiferromagnetic coupling Jpd. Although, the HP has a large projection onto the Emery (Dg) polaron, a non-negligible amount of doublet-u (Du) character is required for optimal hopping stabilization. This is due to Jdd, the copper-copper antiferromagnetic coupling. For the copper spins near an oxygen hole, the copper-copper antiferromagnetic coupling can be considered to be almost infinite ranged, since the copper-spin-correlation length in the superconducting phase (0.06-0.25 holes per in-plane copper) is approximately equal to the mean separation of the holes (between 2 and 4 lattice spacings). The general DSPN wave function is constructed for the motion of a single quasiparticle in an antiferromagnetic background. The SPN state allows simple calculations of various couplings of the oxygen hole with the copper spins. The energy minimum is found at symmetry (π/2,π/2) and the bandwidth scales with Jdd. These results are in agreement with exact computations on a lattice. The coupling of the quasiparticles leads to an attraction of holes and its magnitude is estimated.

  20. DIVIMP Modeling of Impurity Transport in EAST

    NASA Astrophysics Data System (ADS)

    Wang, Fuqiong; Chen, Yiping; Hu, Liqun

    2014-07-01

    Simulations of carbon impurity transport in SOL/divertor plasmas with Ohmic heating on EAST tokamak were performed using the two-dimensional (2D) Monte Carlo impurity transport code DIVIMP. The background plasmas for DIVIMP simulations were externally taken from B2.5/Eirene calculation. Besides the basic output of DIVIMP, the 2D density distributions of the carbon impurity with different ionization states and neutral carbon atoms were obtained, the 2D distributions of CII and CIII emissivities from C+1 and C+2 radiation respectively were also calculated. Comparison between the measured and calculated CIII emissivities showed favorable agreement, indicating that the impurity physics transport models, as implemented in the DIVIMP code, are suitable for the EAST tokamak plasma condition.

  1. Modeling of Carbon Impurity Anomalous Transport

    NASA Astrophysics Data System (ADS)

    Stamm, Roland; Voitsekhovitch, Irina; Benkadda, Sadri; Beyer, Peter; Koubiti, Mohamed; Marandet, Yannick; Godbert-Mouret, Laurence; Bateman, Glenn; Kritz, Arnold; Pankin, Andre

    2001-10-01

    An improvement of plasma confinement by impurity seeding has been observed on different Tokamak. The understanding of the physics of the impurity transport is an important step towards the control of the plasma confinement in such regimes. Different physical mechanisms of the anomalous transport of carbon impurity and their impact on the evolution of the scenario of a tokamak discharge are analyzed in this work. This is done by using a self-consistent modeling of thermal electron and ion energy, and main ion and carbon impurity content with the multi-mode model taking into account the contributions from different types of plasma instabilities [1]. This study has been performed for the medium size tokamak with a central heating of the electron and ion species, and with both central (NBI) and wall particle source. The L-mode scenario and the scenario with an improved particle and energy confinement due to the reversed q-profile has been analyzed and the influence of the carbon impurity on the plasma evolution has been investigated by varying the starting time and the magnitude of the carbon influx. The effect of the main ion dilution on the growth rate as well as the effect of radiative cooling at the plasma edge on the power balance are analyzed under different conditions. 1. Bateman G., et al., Phys. Plasmas, 5 (1998) 1793

  2. The J1-J2 Heisenberg model on the triangular lattice

    NASA Astrophysics Data System (ADS)

    McCulloch, Ian; Saadatmand, Seyed; Powell, Ben

    2015-03-01

    We study the J1-J2 spin-1/2 Heisenberg model on triangular cylinders using non-abelian DMRG techniques. This model exhibits a rich phase diagram in the J1-J2 plane with a quasi-long-range 120° order, valence-bond crystal and columnar phases. ARC Centre for Engineered Quantum Systems.

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

    NASA Astrophysics Data System (ADS)

    Yao, Xiaoyan; Dong, Shuai

    2016-05-01

    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.

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. Second-order Peierls transition in the spin-orbital Kumar-Heisenberg model

    NASA Astrophysics Data System (ADS)

    Brzezicki, Wojciech; Hagymási, Imre; Dziarmaga, Jacek; Legeza, Örs

    2015-05-01

    We add a Heisenberg interaction term ∝λ in the one-dimensional SU(2 )⊗XY spin-orbital model introduced by Kumar. At λ =0 the spin and orbital degrees of freedom can be separated by a unitary transformation leading to an exact solution of the model. We show that a finite λ >0 leads to spontaneous dimerization of the system which in the thermodynamic limit becomes a smooth phase transition at λ →0 , whereas it remains discontinuous within the first-order perturbation approach. We present the behavior of the entanglement entropy, energy gap, and dimerization order parameter in the limit of λ →0 confirming the critical behavior. Finally, we show the evidence of another phase transition in the Heisenberg limit, λ →∞ , and give a qualitative analytical explanation of the observed dimerized states both in the limit of small and large λ .

  10. 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.

  11. Role of Topological Defects in the Phase Transition of the Three-Dimensional Heisenberg Model.

    NASA Astrophysics Data System (ADS)

    Lau, Manhot

    The role of topological point defects (hedgehogs) in the phase transition of the classical Heisenberg model in three dimensions is investigated by using Monte Carlo simulations. Simulations of the behavior of the defects near the phase transition show that the number density of defects increases sharply and defect pairs with separations comparable to the sample size begin to appear as the temperature is increased through the transition temperature. In simulations in a restricted ensemble in which spin configurations containing defects are not allowed, the system appears to remain ordered at all temperatures. Simulations in which the spin-spin interaction is set equal to zero and the number density of defects is controlled by varying a 'chemical potential' term indicate that the system is ordered if the number density of defect pairs is sufficiently small. These results show that topological defects play a crucial role in the three-dimensional Heisenberg transition in the sense that configurations containing defect pairs are necessary for the transition from the ferromagnetic to paramagnetic phase to occur. Such a conclusion is also consistent with a Renormalization Group study of the O(n) model, which suggests that topological defects should be explicitly taken into account for a correct description of the critical behavior in models including the three-dimensional Heisenberg model.

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

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

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

  15. 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.

  16. Interplay of localized and itinerant behavior in the one-dimensional Kondo-Heisenberg model

    NASA Astrophysics Data System (ADS)

    Xie, Neng; Yang, Yi-feng

    2015-05-01

    We use the density matrix renormalization group method to study the interplay of the localized and itinerant behaviors in the one-dimensional Kondo-Heisenberg model. We find signatures of simultaneously localized and itinerant behaviors of the local spins and attribute this duality to their simultaneous entanglement within the spin chain and with conduction electrons due to incomplete hybridization. We propose a microscopic definition of the hybridization parameter that measures this "partial" itinerancy. Our results provide a microscopic support for the dual nature of f electrons and the resulting two-fluid behavior widely observed in heavy electron materials.

  17. 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.

  18. The Quantum Refrigerator in a Two-Qubit Xxz Heisenberg Model

    NASA Astrophysics Data System (ADS)

    Albayrak, Erhan

    2013-05-01

    The four-level entangled quantum refrigerator (QR) is studied in the XXZ Heisenberg model for the two-qubits. The Hamiltonian of the problem includes the exchange parameters Jx = Jy = J and Jz = αJ along the x-, y- and z-directions, respectively, and constant external magnetic field B in the z-direction. The parameter α is introduced into the model which controls the strength of the exchange parameter Jz in comparison to Jx and Jy, thus, our investigation of QR includes the XX (α = 0.0), XXX (α = 1.0) and XXZ (for other α's) Heisenberg models. The two-qubits are assumed to be in contact with two heat reservoirs at different temperatures. The concurrences for a two-qubit are used as a measure of entanglement and then the expressions for the amount of heat transferred, the work performed and the efficiency are derived. The contour, i.e., the isoline maps, and some two-dimensional plots of the above mentioned thermodynamic quantities are illustrated.

  19. 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.

  20. 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.

  1. Density-matrix renormalization group study of the extended Kitaev-Heisenberg model

    NASA Astrophysics Data System (ADS)

    Shinjo, Kazuya; Sota, Shigetoshi; Tohyama, Takami

    2015-02-01

    We study an extended Kitaev-Heisenberg model including additional anisotropic couplings by using the two-dimensional density-matrix renormalization group method. Calculating the ground-state energy, entanglement entropy, and spin-spin correlation functions, we make a phase diagram of the extended Kitaev-Heisenberg model around the spin-liquid phase. We find a zigzag antiferromagnetic phase, a ferromagnetic phase, a 120∘ antiferromagnetic phase, and two kinds of incommensurate phases around the Kitaev spin-liquid phase. Furthermore, we study the entanglement spectrum of the model, and we find that entanglement levels in the Kitaev spin-liquid phase are degenerate forming pairs, but those in the magnetically ordered phases are nondegenerate. The Schmidt gap defined as the energy difference between the lowest two levels changes at the phase boundary adjacent to the Kitaev spin-liquid phase. However, we find that phase boundaries between magnetically ordered phases do not necessarily agree with the change of the Schmidt gap.

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

    NASA Astrophysics Data System (ADS)

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

    2014-09-01

    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.

  3. 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

  4. 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.

  5. Anomaly in the phase diagram of the spin quantum 1/2 anisotropic Heisenberg antiferromagnet model with Dzyaloshinskii-Moriya interaction: A low temperature analysis

    NASA Astrophysics Data System (ADS)

    Parente, Walter E. F.; Pacobahyba, J. T. M.; Araújo, Ijanílio G.; Neto, Minos A.; Ricardo de Sousa, J.

    2015-11-01

    We will study phase diagram the quantum spin-1/2 anisotropic Heisenberg antiferromagnet model in the presence of a Dzyaloshinskii-Moriya interaction (D) and a uniform longitudinal (H) magnetic field, where we have observed an anomaly at low temperatures. Using the effective-field theory with a finite cluster N=2 spin (EFT-2) we calculate the phase diagram in the H - D plane on a simple cubic lattice (z=6). We analyzed the cases: anisotropic Heisenberg - case I: (Δ = 1), anisotropic Heisenberg - case II: (Δ = 0.5) and anisotropic Heisenberg - case III: (Δ = 0), where only second order phase transitions are observed.

  6. Ground and Excited States of Spinor Fermi Gases in Tight Waveguides and the Lieb-Liniger-Heisenberg Model

    SciTech Connect

    Girardeau, M. D.

    2006-11-24

    The ground and excited states of a one-dimensional (1D) spin-(1/2) Fermi gas (SFG) with both attractive zero-range odd-wave interactions and repulsive zero-range even-wave interactions are mapped exactly to a 1D Lieb-Liniger-Heisenberg (LLH) model with delta-function repulsions depending on isotropic Heisenberg spin-spin interactions, such that the complete SFG and LLH energy spectra are identical. The ground state in the ferromagnetic phase is given exactly by the Lieb-Liniger (LL) Bethe ansatz, and that in the antiferromagnetic phase by a variational method combining Bethe ansatz solutions of the LL and 1D Heisenberg models. There are excitation branches corresponding to LL type I and II phonons and spin waves, the latter behaving quadratically for small wave numbers in the ferromagnetic phase and linearly in the antiferromagnetic phase.

  7. 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.

  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. Thermal entanglement in the Heisenberg XXZ model with Dzyaloshinskii-Moriya interaction

    NASA Astrophysics Data System (ADS)

    Li, Sha-Sha; Ren, Ting-Qi; Kong, Xiang-Mu; Liu, Kai

    2012-01-01

    By the concept of negativity, we investigate the thermal entanglement in the two-spin (1/2 >,s) Heisenberg XXX and XXZ models in the presence of Dzyaloshinskii-Moriya (DM) interactions respectively. Through calculation, we know that for the XXZ model, the Δ and s can be used together to control the extent of entanglement and, in particular, to obtain large entanglement. The effect of spin in both models shows that it can increase the critical temperature and the negativity decreases as the spin increases. We found that the DM interaction has different effects on Fermi and Bose systems so it can not only excite entanglement but also affect the entanglement in different spin systems.

  10. 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.

  11. Monte Carlo Simulations of inter- and intra-grain spin structure of Ising and Heisenberg models

    NASA Astrophysics Data System (ADS)

    Leblanc, Martin

    In order to keep supplying computer hard disk drives with more and more storage space, it is essential to have smaller bits. With smaller bits, superparamagnetism, the spontaneous flipping of the magnetic moments in a bit caused by thermal fluctuations, becomes increasingly important and impacts the stability of stored data. Recording media is composed of magnetic grains (usually made of CoCrPt alloys) roughly 10 nm in size from which bits are composed. Most modeling efforts that study magnetic recording media treat the grains as weakly interacting uniformly magnetized objects. In this work, the spin structure internal to a grain is examined along with the impact of varying the relative strengths of intrar-grain and inter-grain exchange interactions. The interplay between these two effects needs to be examined for a greater understanding of superparamagnetism as well as for the applications of the proposed Heat Assisted Magnetic Recording (HAMR) technology where thermal fluctuations facilitate head-field induced bit reversal in high anisotropy media. Simulations using the Monte Carlo method (with cluster-flipping algorithms) are performed on a 2D single-layer and multilayer Ising model with a strong intrar-grain exchange interaction J as well as a weak inter-grain exchange J'. A strong deviation from traditional behavior is found when J'/J is significant. M-H hysteresis loops are also calculated and the coercivity, H c is estimated. A large value represents a strong resilience to the superparamagnetic effect. It is found that taking into account the internal degrees of freedom has a significant effect on Hce. As the Ising model serves only as an approximation, preliminary simulations are also reported on a more realistic Heisenberg model with uniaxial anisotropy. Key Words: Ising model, Heisenberg model, Monte Carlo Simulation

  12. 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.

  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. Effect of magnetic field on noncollinear magnetism in classical bilinear-biquadratic Heisenberg model

    NASA Astrophysics Data System (ADS)

    Pasrija, Kanika; Kumar, Sanjeev

    2016-05-01

    We present a Monte Carlo simulation study of a bilinear-biquadratic Heisenberg model on a two-dimensional square lattice in the presence of an external magnetic field. The study is motivated by the relevance of this simple model to the non-collinear magnetism and the consequent ferroelectric behavior in the recently discovered high-temperature multiferroic, cupric oxide (CuO). We show that an external magnetic field stabilizes a non-coplanar magnetic phase, which is characterized by a finite ferromagnetic moment along the direction of the applied magnetic field and a spiral spin texture if projected in the plane perpendicular to the magnetic field. Real-space analysis highlights a coexistence of non-collinear regions with ferromagnetic clusters. The results are also supported by simple variational calculations.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. Modelling of impurity balance for an aluminum smelter

    SciTech Connect

    Zhang, W.; Liu, X.; McMaster, P.; Taylor, M.

    1996-10-01

    Modeling of impurity balance for an aluminum smelter was conducted. Major impurity streams were sampled and analyzed for impurity concentrations. A flowsheet model was developed and validated using measured data. The purpose of the modeling was to examine the effects of a change from primary to secondary alumina on metal purity and to determine operational strategies to minimize the impact on high purity metal production in the upgrade of the smelter. The impurity partition for cell groups under different operating conditions was determined. Results suggest that production of high purity metal is highly related to the cell operating characteristics. The understanding gained has assisted the design of operating strategies to produce high purity metal from secondary alumina.

  1. 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.

  2. 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

  3. 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.

  4. 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) .

  5. 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

  6. Integrable Two-Impurity Kondo Model

    SciTech Connect

    Schlottmann, P.

    1998-06-01

    The exact solution by means of Bethe{close_quote}s {ital Ansatz} of a variant of the two-impurity Kondo problem is presented. The occupation of the singlet and triplet states, the expectation value {l_angle}{rvec S}{sub 1}{center_dot} {cflx S}{sub 2}{r_angle} , the homogeneous and staggered magnetic field susceptibilities, and the specific heat {gamma} coefficient are studied for the ground state as a function of the Ruderman-Kittel-Kasuya-Yosida{endash}coupling strength. {copyright} {ital 1998} {ital The American Physical Society}

  7. 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.

  8. Phase Boundaries of the Pseudogap Anderson Impurity Model

    NASA Astrophysics Data System (ADS)

    Mohammed, Aaron; Chowdhury, Tathagata; Ingersent, Kevin

    2015-03-01

    As the temperature of metals containing dilute concentrations of magnetic impurities reach very low temperatures, a phenomenon known as the Kondo effect takes place in which the resistance increases. This is due to the domination of spin-exchange processes that occur between the electrons of the metal and the electrons of the magnetic impurity near absolute zero. The Anderson model is a quantum impurity model that was developed in the 1960s to explain this phenomenon. It involves a single magnetic impurity tunnel-coupled to the conduction band of a metal. If the conduction band of this system contains a pseudogap, or a power-law decrease in the density of states around the Fermi energy, then quantum phase transitions will occur. The phase boundaries of the pseudogap Anderson impurity model have been previously approximated using poor man's scaling analysis. Here, we focus on using the more accurate numerical renormalization group method to calculate the location of these boundaries. We then compare these numerical results with the predictions derived from the scaling approximations. The development of nanotechnology like quantum dots and STM have rekindled interest in the Kondo effect since it can now be studied within controlled settings. Supported by the NSF REU Grant DMR-1156737: REU Site in Materials Physics at the University of Florida.

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

    NASA Astrophysics Data System (ADS)

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

    2012-06-01

    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 hc = 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.

  10. The phase transition in the anisotropic Heisenberg model with long range dipolar interactions

    NASA Astrophysics Data System (ADS)

    Mól, L. A. S.; Costa, B. V.

    2014-03-01

    In this work we have used extensive Monte Carlo calculations to study the planar to paramagnetic phase transition in the two-dimensional anisotropic Heisenberg model with dipolar interactions (AHd) considering the true long-range character of the dipolar interactions by means of the Ewald summation. Our results are consistent with an order-disorder phase transition with unusual critical exponents in agreement with our previous results for the Planar Rotator model with dipolar interactions. Nevertheless, our results disagree with the Renormalization Group results of Maier and Schwabl [Phys. Rev. B, 70, 134430 (2004)] [13] and the results of Rapini et al. [Phys. Rev. B, 75, 014425 (2007)] [12], where the AHd was studied using a cut-off in the evaluation of the dipolar interactions. We argue that besides the long-range character of dipolar interactions their anisotropic character may have a deeper effect in the system than previously believed. Besides, our results show that the use of a cut-off radius in the evaluation of dipolar interactions must be avoided when analyzing the critical behavior of magnetic systems, since it may lead to erroneous results.

  11. Obtaining model parameters for real materials from ab-initio calculations: Heisenberg exchange

    NASA Astrophysics Data System (ADS)

    Korotin, Dmitry; Mazurenko, Vladimir; Anisimov, Vladimir; Streltsov, Sergey

    An approach to compute exchange parameters of the Heisenberg model in plane-wave based methods is presented. This calculation scheme is based on the Green's function method and Wannier function projection technique. It was implemented in the framework of the pseudopotential method and tested on such materials as NiO, FeO, Li2MnO3, and KCuF3. The obtained exchange constants are in a good agreement with both the total energy calculations and experimental estimations for NiO and KCuF3. In the case of FeO our calculations explain the pressure dependence of the Néel temperature. Li2MnO3 turns out to be a Slater insulator with antiferromagnetic nearest neighbor exchange defined by the spin splitting. The proposed approach provides a unique way to analyze magnetic interactions, since it allows one to calculate orbital contributions to the total exchange coupling and study the mechanism of the exchange coupling. The work was supported by a grant from the Russian Scientific Foundation (Project No. 14-22-00004).

  12. Exact solution of Heisenberg model with site-dependent exchange couplings and Dzyloshinsky-Moriya interaction

    NASA Astrophysics Data System (ADS)

    Yang, Li-Jun; Cao, Jun-Peng; Yang, Wen-Li

    2015-10-01

    We propose an integrable spin-1/2 Heisenberg model where the exchange couplings and Dzyloshinky-Moriya interactions are dependent on the sites. By employing the quantum inverse scattering method, we obtain the eigenvalues and the Bethe ansatz equation of the system with the periodic boundary condition. Furthermore, we obtain the exact solution and study the boundary effect of the system with the anti-periodic boundary condition via the off-diagonal Bethe ansatz. The operator identities of the transfer matrix at the inhomogeneous points are proved at the operator level. We construct the T-Q relation based on them. From which, we obtain the energy spectrum of the system. The corresponding eigenstates are also constructed. We find an interesting coherence state that is induced by the topological boundary. Project supported by the National Natural Science Foundation of China (Grant Nos. 11174335, 11375141, 11374334, and 11434013) and the National Program for Basic Research of China and the Fund from the Chinese Academy of Sciences.

  13. 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).

  14. Spin locking and freezing phenomena in the antiferromagnetic Heisenberg model on the three-leg ladder

    NASA Astrophysics Data System (ADS)

    Azzouz, M.; Asante, K. A.

    2005-09-01

    The antiferromagnetic Heisenberg model on the three-leg ladder is studied using the generalized Jordan-Wigner transformation in dimensions higher than 1, and the bond-mean-field theory. The magnetic susceptibility and other thermodynamic quantities are analyzed as a function of the rung-to-leg coupling ratio α and temperature T . We fit the experimental susceptibility data of the three-leg material Sr2Cu3O5 of Azuma and co-workers with good agreement. One of the main findings of this work is the proposal that close to two-thirds of the spin degrees of freedom on each of the rungs of the ladder lock at low T for small α , then collectively almost 2/3 of the spin degrees of freedom on all the rungs freeze completely at low T for α greater than a threshold value. The approach developed here can be used to study the three-leg ladder for all values of α , and is thus suitable for the description of the crossover regime between the weak- and strong-coupling regimes.

  15. Z2-vortex lattice in the ground state of the triangular Kitaev-Heisenberg model

    NASA Astrophysics Data System (ADS)

    Daghofer, Maria; Rousochatzakis, Ioannis; Roessler, Ulrich K.; van den Brink, Jeroen

    2013-03-01

    Investigating the classical Kitaev-Heisenberg Hamiltonian on a triangular lattice, we establish the presence of an incommensurate non-coplanar magnetic phase, which is identified as a lattice of Z2 vortices. The vortices, topological point defects in the SO(3) order parameter of the nearby Heisenberg antiferromagnet, are not thermally excited but due to the spin-orbit coupling and arise at temperature T --> 0 . This Z2-vortex lattice is stable in a parameter regime relevant to iridates. We show that in the other, strongly anisotropic, limit a robust nematic phase emerges. Sponsored by the DFG (Emmy-Noether program).

  16. Turbulent impurity transport modeling for Alcator C-Mod

    NASA Astrophysics Data System (ADS)

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

    2013-10-01

    Turbulent particle transport is investigated with a quasilinear theory that is motivated by the boron impurity transport experiments in the Alcator C-Mod. Eigenvalue problems for sets of reduced fluid equations for multi-component plasmas are solved for the self-consistent fluctuating field vectors composed of the electric potential φ, the main ion density δni , the impurity density δnz and the ion temperature fluctuation δTi . For Alcator C-Mod parameters, we investigate two drift wave models: (1) the density-gradient-driven impurity drift wave and (2) the ion-temperature-gradient-driven ion temperature gradient (ITG) mode. Analytic and numerical results for particle transport coefficients are derived and compared with the transport data and the neoclassical theory. We explore the ability of the model to explain impurity density profiles in three confinement regimes: H-mode, I-mode and internal transport barrier (ITB) regime in C-Mod. Related experiments reported on the Large Helical Device are briefly discussed.

  17. 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.

  18. Turbulent Impurity Transport Modeling for C-Mod

    NASA Astrophysics Data System (ADS)

    Fu, Xiangrong; Horton, Wendell; Rowan, William; Bespamyatnov, Igor; Benkadda, Sadruddin; Fiore, Catherine

    2012-03-01

    Turbulent particle transport is investigated by analyzing boron impurity transport experiments in the Alcator C-Mod transport experiments with a quasilinear theory. Eigenvalue problems for sets of reduced fluid equations for the multi-component plasmas are solved to get the fluctuating field vector composed of the electric potential φ, the main ion density δni, the impurity density δnz and the ion temperature fluctuation δTi(for ITG). For Alcator C-Mod parameters, we investigate three drift waves models (1) the usual drift waves driven by density gradients, (2)impurity drift waves supported by the impurity density gradients and (3)turbulence driven by ITG mode. With turbulent spectrum obtained from simulations or nonlinear theories, we calculate particle transport coefficients and compare with the experiment and the neoclassical theory. This procedure results in a fast code that could run in real-time on the transport time scale to give the particle fluxes as a function of the state of the plasma. The code may be extended to include multiple modes for a more complete description of plasmas. Examples for the particle fluxes are given for C-Mod in the H modes and newly discovered I modes. Recent experiments reported on LHD are briefly discussed.

  19. Fractional impurity moments in two-dimensional noncollinear magnets.

    PubMed

    Wollny, Alexander; Fritz, Lars; Vojta, Matthias

    2011-09-23

    We study dilute magnetic impurities and vacancies in two-dimensional frustrated magnets with noncollinear order. Taking the triangular-lattice Heisenberg model as an example, we use quasiclassical methods to determine the impurity contributions to the magnetization and susceptibility. Most importantly, each impurity moment is not quantized but receives nonuniversal screening corrections due to local relief of frustration. At finite temperatures, where bulk long-range order is absent, this implies an impurity-induced magnetic response of Curie form, with a prefactor corresponding to a fractional moment per impurity. We also discuss the behavior in an applied magnetic field, where we find a singular linear-response limit for overcompensated impurities. PMID:22026900

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

    NASA Astrophysics Data System (ADS)

    Lees, Benjamin

    2016-05-01

    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.

  1. 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.

  2. Coherent States and Schwinger Models for Pseudo Generalization of the Heisenberg Algebra

    NASA Astrophysics Data System (ADS)

    Fakhri, H.; Mojaveri, B.; Dehghani, A.

    We show that the non-Hermitian Hamiltonians of the simple harmonic oscillator with {PT} and {C} symmetries involve a pseudo generalization of the Heisenberg algebra via two pairs of creation and annihilation operators which are {T}-pseudo-Hermiticity and {P}-anti-pseudo-Hermiticity of each other. The non-unitary Heisenberg algebra is represented by each of the pair of the operators in two different ways. Consequently, the coherent and the squeezed coherent states are calculated in two different approaches. Moreover, it is shown that the approach of Schwinger to construct the su(2), su(1, 1) and sp(4, ℝ) unitary algebras is promoted so that unitary algebras with more linearly dependent number of generators are made.

  3. A double species model for study of relaxation of impure Ni 3Al grain boundaries

    NASA Astrophysics Data System (ADS)

    Zheng, Li-Ping; Ma, Yu-Gang; Han, Jia-Guang; Li, D. X.; Zhang, Xiu-Rong

    2004-04-01

    Based on the Monte Carlo simulation conjoined with the embedded atom method (EAM) potentials, the double species model is established to study relaxation of impure Ni 3Al grain boundaries. The present double species model suggests that the impure atoms are not only segregating species but also inducing species. The present model also suggests that study of combination of the positive (the impure atoms induce Ni atoms to substitute into Al sites) and the negative (the impure atoms substitute into Ni sites) bulk effects of impure atoms is available, in order to understand dependence of the cohesion of the impure Ni 3Al grain boundary (or the Ni enrichment at the impure Ni 3Al grain boundary) on the bulk concentration of impure atoms. The double species model is clarified in comparison between the Ni 3AlB and the Ni 3AlMg systems.

  4. 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

  5. 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.

  6. Entanglement in Mixed-Spin (1/2, 3/2) Heisenberg XXZ Model with Dzyaloshinskii-Moriya Interaction

    NASA Astrophysics Data System (ADS)

    Zhou, Chao-Biao; Xiao, Shu-Yuan; Zhang, Shao-Wu; Ran, Yang-Qiang

    2016-02-01

    In this paper, the entanglement in a mixed-spin (1/2, 3/2) Heisenberg XXZ model with Dzyaloshinskii-Moriya (DM) interaction in an inhomogeneous external magnetic field is studied. We not only calculate the ground-state entanglement but also investigate the behaviors of quantum phase transition following the changes of DM interaction and nonuniform magnetic field. More importantly, we note that the DM interaction improves the critical magnetic field B c , the critical temperature T c and broadens the region of entanglement.

  7. Polyakov loop of antisymmetric representations as a quantum impurity model

    SciTech Connect

    Mueck, Wolfgang

    2011-03-15

    The Polyakov loop of an operator in the antisymmetric representation in N=4 supersymmetric Yang-Mills theory on spacial R{sup 3} is calculated, to leading order in 1/N and at large 't Hooft coupling, by solving the saddle point equations of the corresponding quantum impurity model. Agreement is found with previous results from the supergravity dual, which is given by a D5-brane in an asymptotically AdS{sub 5}xS{sup 5} black brane background. It is shown that the azimuth angle, at which the dual D5-brane wraps the S{sup 5}, is related to the spectral asymmetry angle in the spectral density associated with the Green's function of the impurity fermions. Much of the calculation also applies to the Polyakov loop on spacial S{sup 3} or H{sup 3}.

  8. 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.

  9. Approaches to modeling of plasmas containing impurity at arbitrary concentration

    NASA Astrophysics Data System (ADS)

    Tokar, Mikhail Z.

    2016-02-01

    A new approximate method to modeling of two-ion-species plasmas with arbitrary concentration of impurity is developed. It based on the usage of equations for the electron density and the ratio of the ion species densities as new dependent variables. In contrast to motion equations for the ion mass velocities used normally, those for the new variables have a singularity at the Debye sheath only, as in the case of a one species plasma. Computations for the most critical situations of weak and intermediate friction between species due to Coulomb collisions reproduce nearly perfectly the results got by solving the original equations, however within a calculation time reduced by a factor of 102-103. In the case of strong friction, where ions’ velocities are very close each other, the normal procedure does not converge at all, but the new one, being precise in this limit, operates very reliably. Calculations are done for conditions typical in the linear device PSI-2, with deuterium plasmas seeded by neon impurity. For fixed electron and ion temperatures a critical density of impurity atoms is found, at which the electron density grows without limits. Such a catastrophic behavior does not occur if the electron and ion heat balances are taken into account to calculate the temperature profiles self-consistently.

  10. 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.

  11. 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

  12. 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.

  13. Born-Infeld Electrodynamics and Euler-Heisenberg Model:. Outstanding Examples of the Lack of Commutativity among Quantized Truncated Actions and Truncated Quantized Actions

    NASA Astrophysics Data System (ADS)

    Accioly, Antonio; Gaete, Patricio; Helaÿel-Neto, José A.

    We calculate the lowest-order corrections to the static potential for both the generalized Born-Infeld electrodynamics and an Euler-Heisenberg-like model, in the presence of a constant external magnetic field. Our analysis is carried out within the framework of the gauge-invariant but path-dependent variables formalism. The calculation reveals a long-range correction ((1)/(r5)-type) to the Coulomb potential for the generalized Born-Infeld electrodynamics. Interestingly enough, in the Euler-Heisenberg-like model, the static potential remains Coulombian. Therefore, contrary to popular belief, the quantized truncated action and the truncated quantized action do not commute at all.

  14. 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.

  15. Modeling Migration of Chemical Impurities in Drinking Water Supply Systems

    NASA Astrophysics Data System (ADS)

    Mercea, P.; Tosa, V.; Kovacs, Katalin; Piringer, O.

    2010-09-01

    A numerical method based on finite differences was developed to solve the problem of impurities' migration from a hollow core multilayer cylinder (pipe) filled with water. The numerical method is based on finite differences (FD) and the developed application is presented. The migration modeling is focused on the estimation of water contamination in a single household over a long period of time (up to 50 years). The input parameters for the FD algorithm are generated by Monte-Carlo sampling of a short term water consumption pattern in the household.

  16. 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.

  17. Interlayer-interaction dependence of latent heat in the Heisenberg model on a stacked triangular lattice with competing interactions

    NASA Astrophysics Data System (ADS)

    Tamura, Ryo; Tanaka, Shu

    2013-11-01

    We study the phase transition behavior of a frustrated Heisenberg model on a stacked triangular lattice by Monte Carlo simulations. The model has three types of interactions: the ferromagnetic nearest-neighbor interaction J1 and antiferromagnetic third nearest-neighbor interaction J3 in each triangular layer and the ferromagnetic interlayer interaction J⊥. Frustration comes from the intralayer interactions J1 and J3. We focus on the case that the order parameter space is SO(3)×C3. We find that the model exhibits a first-order phase transition with breaking of the SO(3) and C3 symmetries at finite temperature. We also discover that the transition temperature increases but the latent heat decreases as J⊥/J1 increases, which is opposite to the behavior observed in typical unfrustrated three-dimensional systems.

  18. 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

  19. 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.

  20. Thermalization and dynamics in the single-impurity Anderson model

    NASA Astrophysics Data System (ADS)

    Weymann, Ireneusz; von Delft, Jan; Weichselbaum, Andreas

    2015-10-01

    We analyze the process of thermalization, dynamics, and the eigenstate thermalization hypothesis (ETH) for the single-impurity Anderson model, focusing on the Kondo regime. For this we construct the complete eigenbasis of the Hamiltonian using the numerical renormalization group (NRG) method in the language of the matrix product states. It is a peculiarity of the NRG that while the Wilson chain is supposed to describe a macroscopic bath, very few single-particle excitations already suffice to essentially thermalize the impurity system at finite temperature, which amounts to having added a macroscopic amount of energy. Thus, given an initial state of the system such as the ground state together with microscopic excitations, we calculate the spectral function of the quantum impurity using the microcanonical and diagonal ensembles. These spectral functions are compared to the time-averaged spectral function obtained by time evolving the initial state according to the full Hamiltonian, and to the spectral function calculated using the thermal density matrix. By adding or removing particles at a certain Wilson energy shell on top of the ground state, we find qualitative agreement between the resulting spectral functions calculated for different ensembles. This indicates that the system thermalizes in the long-time limit, and can be described by an appropriate statistical-mechanical ensemble. Moreover, by calculating static quantities such as the impurity spectral density at the Fermi level as well as the dot occupancy for energy eigenstates relevant for microcanonical ensemble, we find good support for the ETH. The ultimate mechanism responsible for this effective thermalization within the NRG can be identified as Anderson orthogonality: the more charge that needs to flow to or from infinity after applying a local excitation within the Wilson chain, the more the system looks thermal afterwards at an increased temperature. For the same reason, however, thermalization

  1. 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.

  2. 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.

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

    PubMed

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

    2015-04-15

    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. PMID:25786735

  4. Two-impurity Anderson model: A variational study

    SciTech Connect

    Andreani, L.C. , PHB-Ecublens, CH-1015 Lausanne Dipartimento di Fisica A. Volta,'' Universita di Pavia, via Bassi 6, I-27100 Pavia ); Beck, H. )

    1993-09-01

    A comprehensive variational study of the two-impurity Anderson model is presented. First a lowest-order basis is introduced, which does not contain electronic excitations above the Fermi level: in this basis, the indirect [ital f]-[ital f] interaction of the form [minus][ital J][bold S][sub 1][center dot][bold S][sub 2] is not generated but is added by hand. The effect of electron-hole (EH) excitations is also studied. A suitable discretization of the continuous band spectrum allows us to obtain all eigenvalues and eigenvectors and to calculate finite-temperature magnetic properties. For a distance [ital R][gt][ital R][sub [ital c

  5. The numerical renormalization group and multi-orbital impurity models

    NASA Astrophysics Data System (ADS)

    Weichselbaum, Andreas; Stadler, K. M.; von Delft, J.; Yin, Z. P.; Kotliar, G.; Mitchell, Andrew

    The numerical renormalization group (NRG) is a highly versatile and accurate method for the simulation of (effective) fermionic impurity models. Despite that the cost of NRG is exponential in the number of orbitals, by now, symmetric three-band calculations have become available on a routine level. Here we present a recent detailed study on the spin-orbital separation in a three-band Hund metal with relevance for iron-pnictides via the dynamical mean field theory (DMFT). In cases, finally, where the orbital symmetry is broken, we demonstrate that interleaved NRG still offers an accurate alternative approach within the NRG with dramatically improved numerical efficiency at comparable accuracy relative to conventional NRG.

  6. Quantum entanglement in the two-impurity Kondo model

    SciTech Connect

    Cho, Sam Young; McKenzie, Ross H.

    2006-01-15

    In order to quantify quantum entanglement in two-impurity Kondo systems, we calculate the concurrence, negativity, and von Neumann entropy. The entanglement of the two Kondo impurities is shown to be determined by two competing many-body effects, namely the Kondo effect and the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction, I. Due to the spin-rotational invariance of the ground state, the concurrence and negativity are uniquely determined by the spin-spin correlation between the impurities. It is found that there exists a critical minimum value of the antiferromagnetic correlation between the impurity spins which is necessary for entanglement of the two impurity spins. The critical value is discussed in relation with the unstable fixed point in the two-impurity Kondo problem. Specifically, at the fixed point there is no entanglement between the impurity spins. Entanglement will only be created [and quantum information processing (QIP) will only be possible] if the RKKY interaction exchange energy, I, is at least several times larger than the Kondo temperature, T{sub K}. Quantitative criteria for QIP are given in terms of the impurity spin-spin correlation.

  7. Thermoelectric performance of strongly correlated quantum impurity models

    NASA Astrophysics Data System (ADS)

    Taylor, Edward; Segal, Dvira

    2015-09-01

    We derive asymptotically exact expressions for the thermopower and figure of merit of a quantum impurity connecting two noninteracting leads in the linear response regime where the chemical potential and temperature differences between the leads are small. Based on sum rules for the single-particle impurity spectral function, these expressions become exact at high temperatures as well as in the very strongly correlated regime, where the impurity Coulomb repulsion is much larger than the temperature. Although modest interactions impede thermoelectric performance, a very large Coulomb scale restores the optimal transport properties of noninteracting electrons, albeit renormalized to account for the absence of double occupancy in the impurity. As with noninteracting electrons, the electronic contribution to the figure of merit is limited only by the spectral broadening that arises from the coupling between the impurity and the leads.

  8. Nonperturbative linked-cluster expansions for the trimerized ground state of the spin-one kagome Heisenberg model

    NASA Astrophysics Data System (ADS)

    Ixert, Dominik; Tischler, Tobias; Schmidt, Kai P.

    2015-11-01

    We use nonperturbative linked-cluster expansions to determine the ground-state energy per site of the spin-one Heisenberg model on the kagome lattice. To this end, a parameter is introduced allowing us to interpolate between a fully trimerized state and the isotropic model. The ground-state energy per site of the full graph decomposition up to graphs of six triangles (18 spins) displays a complex behavior as a function of this parameter close to the isotropic model which we attribute to divergencies of partial series in the graph expansion of quasi-1D unfrustrated chain graphs. More concretely, these divergencies can be traced back to a quantum critical point of the one-dimensional unfrustrated chain of coupled triangles. Interestingly, the reorganization of the nonperturbative linked-cluster expansion in terms of clusters with enhanced symmetry yields a ground-state energy per site of the isotropic two-dimensional model that is in quantitative agreement with other numerical approaches in favor of a spontaneous trimerization of the system. Our findings are of general importance for any nonperturbative linked-cluster expansion on geometrically frustrated systems.

  9. Ground State Selection and Spin-Liquid Behaviour in the Classical Heisenberg Model on the Breathing Pyrochlore Lattice

    NASA Astrophysics Data System (ADS)

    Benton, Owen; Shannon, Nic

    2015-10-01

    Magnetic pyrochlore oxides, including the spin ice materials, have proved to be a rich field for the study of geometrical frustration in three dimensions. Recently, a new family of magnetic oxides has been synthesised in which half of the tetrahedra in the pyrochlore lattice are inflated relative to the other half, making an alternating array of small and large tetrahedra. These "breathing pyrochlore" materials such as LiGaCr4O8, LiInCr4O8, and Ba3Yb2Zn5O11 provide new opportunities in the study of frustrated magnetism. Here we provide an analytic theory for the ground state phase diagram and spin correlations for the minimal model of magnetism in breathing pyrochlores: a classical nearest neighbour Heisenberg model with different exchange coefficients for the two species of tetrahedra. We find that the phase diagram comprises a Coulombic spin liquid phase, a conventional ferromagnetic phase and an unusual antiferromagnetic phase with lines of soft modes in reciprocal space, stabilised by an order-by-disorder mechanism. We obtain a theory of the spin correlations in this model using the self consistent Gaussian approximation (SCGA) which enables us to discuss the development of correlations in breathing pyrochlores as a function of temperature, and we quantitatively characterise the thermal crossover from the limit of isolated tetrahedra to the strongly correlated limit of the problem. We compare the results of our analysis with the results of recent neutron scattering experiments on LiInCr4O8.

  10. Analytical Perturbative Treatment of Multiterminal Nonequilibrium Anderson Impurity Models

    NASA Astrophysics Data System (ADS)

    Taniguchi, Nobuhiko

    2015-03-01

    We investigate analytically the nonequilibrium Anderson impurity model connecting with multiterminal leads. Within the validity of the second-order perturbation regarding the interaction strength, the full dependence on frequency and bias voltage of the nonequilibrium self-energy and spectral function is determined for a generic multiterminal setting where the current preservation has been an issue. Our analytical perturbative treatment respects the current conservation as well as the spectral sum rule, and it encompasses Fermi-liquid and non-Fermi liquid behaviors, showing that increasing finite-bias voltage leads to a crossover from the Kondo resonance to the Coulomb blockade phenomena. Analysis on two-terminal and multiterminal settings shows that finite-bias voltage does not split the Kondo resonance in this order; no specific structure due to multiple leads emerges in the spectral function. Overall bias dependence is quite similar to finite-temperature effect, which could be understood by help of the Ward identity and the limit of N >> 1 terminals. Grant-in-Aid for Scientific Research (No. 26400382, MEXT, Japan).

  11. 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.

  12. Topological defects of Néel order and Kondo singlet formation for Kondo-Heisenberg model on a honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Si, Qimiao; Goswami, Pallab

    2014-03-01

    Heavy fermion systems represent a prototypical setting to study magnetic quantum phase transitions. In this context, we study the spin one-half Kondo-Heisenberg model on a honeycomb lattice at half filling. The problem is approached from the Kondo destroyed, antiferromagnetically ordered insulating phase. We describe the local moments in terms of a coarse grained quantum non-linear sigma model, and show that the skyrmion defects of the antiferromagnetic order parameter host a number of competing order parameters. In addition to the spin Peierls, charge and current density wave order parameters, we identify for the first time Kondo singlets as the competing dual orders of the antiferromagnetism, which can be related to each other via generalized chiral transformations of the underlying fermions. We also show that the conduction electrons acquire a Berry phase through their coupling to the hedgehog configurations of the Néel order, which cancels the Berry phase of the local moments. Our results demonstrate the competition between the Kondo-singlet formation and spin-Peierls order when the antiferromagnetic order is suppressed, thereby shedding new light on the global phase diagram of heavy fermion systems at zero temperature. NSF.

  13. 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.

  14. 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)

  15. 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.

  16. First Principles Modelling of Oxygen Impurities in UN Nuclear Fuels

    SciTech Connect

    Kotomin, Eugene Alexej; Mastrikov, Yuri A.

    2008-07-15

    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.

  17. 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.

  18. 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.

  19. SWAP operation in the two-qubit Heisenberg XXZ model: Effects of anisotropy and magnetic field

    SciTech Connect

    Zhou Yue; Yang Fuhua; Feng Songlin; Zhang Guofeng

    2007-06-15

    In this paper we study the SWAP operation in a two-qubit anisotropic XXZ model in the presence of an inhomogeneous magnetic field. We establish the range of anisotropic parameter {lambda} within which the SWAP operation is feasible. The SWAP errors caused by the inhomogeneous field are evaluated.

  20. Order by disorder in Kitaev-Heisenberg models on the honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Perkins, Natalia; Sizyuk, Yuriy; Ducatman, Samuel; Woelfle, Peter

    Recent diffuse magnetic x-ray scattering data in Na2IrO3 clearly determined the spin orientation in this zigzag state and showed that, unexpectedly, it is along the 44.3 degrees direction with respect to a axis, which is approximately half way in between the cubic x and y axes. This experiment provides an important check of the validity of any model proposed to described the magnetic properties of Na2IrO3 as the model should correctly predict not only the type of the magnetic order but also its orientation in space. We propose that order by disorder mechanism in quantum J1-K1-J2-K2-J3 model gives the experimentally observed direction along cubic face diagonals. Our findings are based on both the calculation of the contribution of thermal fluctuations of quantum spins into free energy obtained by Hubbard-Stratonovich transformation and the zero-point correction to the ground state energy due to quantum spin fluctuations obtained by the spin-wave expansion at zero temperature. Nsf Grant DMR-1511768.

  1. 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.

  2. Double-expansion impurity solver for multiorbital models with dynamically screened U and J

    NASA Astrophysics Data System (ADS)

    Steiner, Karim; Nomura, Yusuke; Werner, Philipp

    2015-09-01

    We present a continuous-time Monte Carlo impurity solver for multiorbital impurity models which combines a strong-coupling hybridization expansion and a weak-coupling expansion in the Hund's coupling parameter J . This double-expansion approach allows to treat the dominant density-density interactions U within the efficient segment representation. We test the approach for a two-orbital model with static interactions, and then explain how the double expansion allows to simulate models with frequency dependent U (ω ) and J (ω ) . The method is used to investigate spin-state transitions in a toy model for fullerides, with repulsive bare J but attractive screened J .

  3. Chiral spin liquid emerging between competing magnetic order states in the spin-1/2 J1-J2-J3 kagome Heisenberg model

    NASA Astrophysics Data System (ADS)

    Gong, Shoushu; Zhu, Wei; Balents, Leon; Sheng, Dongning

    2015-03-01

    We studied the extended spin- 1 / 2 kagome model with the first neighbor (J1), the second (J2) and third neighbor (J3) couplings using density matrix renormalization group. We established a quantum phase diagram for 0 <= J 2 <= 0 . 25J1 and 0 <=J3 <=J1 , where we find a q = (0 , 0) Neel phase, a chiral spin liquid (CSL), a cuboc1 phase that breaks both time-reversal and spin rotational symmetries, and a valence-bond solid at the neighbor of the Heisenberg model, where a possible Z2 spin liquid has been previously identified. Interestingly, the classical cuboc1 phase could survive in the spin- 1 / 2 system with strong quantum fluctuations, and the CSL emerges between the q = (0 , 0) and the cuboc1 phases. We discover that the CSL has the short spin correlation pattern consistent with the cuboc1 phase, but the chiral order structure is totally different. The CSL might be understood as a result of the competitions between the q = (0 , 0) and the cuboc1 phases in the presence of strong quantum fluctuations. We further studied the quantum phase transitions from the CSL to the magnetically ordered phases, and to the possible Z2 spin liquid of the Heisenberg kagome model. Interestingly, the exotic continuous topological phase transition might be realized in the system.

  4. 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.

  5. 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.

  6. 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

    2016-05-01

    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 3 d 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 e g -like orbitals. We also observe that the Co (3 d) 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.

  7. 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.

  8. 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.

  9. Quantum antiferromagnetic Heisenberg half-odd-integer spin model as the entanglement Hamiltonian of the integer-spin Affleck-Kennedy-Lieb-Tasaki states

    NASA Astrophysics Data System (ADS)

    Rao, Wen-Jia; Zhang, Guang-Ming; Yang, Kun

    2016-03-01

    Applying a symmetric bulk bipartition to the one-dimensional Affleck-Kennedy-Lieb-Tasaki valence-bond solid (VBS) states for the integer spin-S Haldane gapped phase, we can create an array of fractionalized spin-S /2 edge states with the super unit cell l in the reduced bulk system, and the topological properties encoded in the VBS wave functions can be revealed. The entanglement Hamiltonian (EH) with even l corresponds to the quantum antiferromagnetic Heisenberg spin-S /2 model. For the even integer spins, the EH still describes the Haldane gapped phase. For the odd integer spins, however, the EH just corresponds to the quantum antiferromagnetic Heisenberg half-odd integer-spin model with spinon excitations, characterizing the critical point separating the topological Haldane phase from the trivial gapped phase. Our results thus demonstrate that the topological bulk property not only determines its fractionalized edge states but also the quantum criticality associated with the topological phase, where the elementary excitations are precisely those fractionalized edge degrees of freedom confined in the bulk of the topological phase.

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

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    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.

  12. 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

  13. 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.

  14. Spatially anisotropic Heisenberg kagome antiferromagnet

    NASA Astrophysics Data System (ADS)

    Apel, W.; Yavors'kii, T.; Everts, H.-U.

    2007-04-01

    In the search for spin-1/2 kagome antiferromagnets, the mineral volborthite has recently been the subject of experimental studies (Hiroi et al 2001 J. Phys. Soc. Japan 70 3377; Fukaya et al 2003 Phys. Rev. Lett. 91 207603; Bert et al 2004 J. Phys.: Condens. Matter 16 S829; Bert et al 2005 Phys. Rev. Lett. 95 087203). It has been suggested that the magnetic properties of this material are described by a spin-1/2 Heisenberg model on the kagome lattice with spatially anisotropic exchange couplings. We report on investigations of the {\\mathrm {Sp}}(\\mathcal {N}) symmetric generalization of this model in the large \\mathcal {N} limit. We obtain a detailed description of the dependence of possible ground states on the anisotropy and on the spin length S. A fairly rich phase diagram with a ferrimagnetic phase, incommensurate phases with and without long-range order and a decoupled chain phase emerges.

  15. Antiferroquadrupolar and Ising-Nematic Orders of a Frustrated Bilinear-Biquadratic Heisenberg Model and Implications for the Magnetism of FeSe

    NASA Astrophysics Data System (ADS)

    Yu, Rong; Si, Qimiao

    2015-09-01

    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.

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. Kondo decoherence : finding the right spin model for iron impurities in gold and silver.

    SciTech Connect

    Costi, T. A.; Bergqvist, L.; Weichselbaum, A.; von Delft, J.; Micklitz, T.; Rosch, A.; Mavropoulos, P.; Dederichs, P. H.; Mallet, F.; Saminadayar, L.; Bauerle, C.

    2009-02-01

    We exploit the decoherence of electrons due to magnetic impurities, studied via weak localization, to resolve a long-standing question concerning the classic Kondo systems of Fe impurities in the noble metals gold and silver: which Kondo-type model yields a realistic description of the relevant multiple bands, spin, and orbital degrees of freedom? Previous studies suggest a fully screened spin S Kondo model, but the value of S remained ambiguous. We perform density functional theory calculations that suggest S=3/2. We also compare previous and new measurements of both the resistivity and decoherence rate in quasi-one-dimensional wires to numerical renormalization group predictions for S=1/2, 1, and 3/2, finding excellent agreement for S=3/2.

  1. Hierarchical mean-field approach to the J1-J2 Heisenberg model on a square lattice

    NASA Astrophysics Data System (ADS)

    Isaev, Leonid; Ortiz, Gerardo; Dukelsky, Jorge

    2009-03-01

    We study the quantum phase diagram and excitation spectrum of the frustrated J1-J2 spin-1/2 Heisenberg Hamiltonian. A hierarchical mean-field approach, at the heart of which lies the idea of identifying relevant degrees of freedom, is developed. Thus, by performing educated, manifestly symmetry preserving mean-field approximations, we unveil fundamental properties of the system. We then compare various coverings of the square lattice with plaquettes, dimers and other degrees of freedom, and show that only the symmetric plaquette covering, which reproduces the original Bravais lattice, leads to the known phase diagram. The intermediate quantum paramagnetic phase is shown to be a (singlet) plaquette crystal, connected with the neighbouring N'eel phase by a continuous phase transition. We also introduce fluctuations around the hierarchical mean-field solutions, and demonstrate that in the paramagnetic phase the ground and first excited states are separated by a finite gap, which closes in the N'eel and columnar phases. Our results suggest that the quantum phase transition between N'eel and paramagnetic phases can be properly described within the Ginzburg-Landau-Wilson paradigm.

  2. Hierarchical mean-field approach to the J1-J2 Heisenberg model on a square lattice

    NASA Astrophysics Data System (ADS)

    Isaev, L.; Ortiz, G.; Dukelsky, J.

    2009-01-01

    We study the quantum phase diagram and excitation spectrum of the frustrated J1-J2 spin-1/2 Heisenberg Hamiltonian. A hierarchical mean-field approach, at the heart of which lies the idea of identifying relevant degrees of freedom, is developed. Thus, by performing educated, manifestly symmetry-preserving mean-field approximations, we unveil fundamental properties of the system. We then compare various coverings of the square lattice with plaquettes, dimers, and other degrees of freedom, and show that only the symmetric plaquette covering, which reproduces the original Bravais lattice, leads to the known phase diagram. The intermediate quantum paramagnetic phase is shown to be a (singlet) plaquette crystal, connected with the neighboring Néel phase by a continuous phase transition. We also introduce fluctuations around the hierarchical mean-field solutions, and demonstrate that in the paramagnetic phase the ground and first excited states are separated by a finite gap, which closes in the Néel and columnar phases. Our results suggest that the quantum phase transition between Néel and paramagnetic phases can be properly described within the Ginzburg-Landau-Wilson paradigm.

  3. The calculational modeling of impurity mass transfer in NPP circuits with liquid metal coolant

    NASA Astrophysics Data System (ADS)

    Alexeev, V.; Kozlov, F.; Kumaev, V.; Orlova, E.; Klimanova, Yu; Torbenkova, I.

    2008-02-01

    The authors create three levels of models (one-dimensional, two-dimensional and three-dimensional) for estimation of impurity mass transfer in sodium circuits units as well as applicable computational programs. In the one-dimensional model the flow path elements are simulated by annular channels. The Lagrange coordinate system is used in the mathematical description of processes in channels. The two-dimensional model is based on the porous body approximation and enables one to simulate global spatial distributions of coolant flow velocity fields, coolant and fuel rods temperatures, and concentration distribution of transferred substances. The mathematical description of passive multicomponent impurity transfer is carried out using the system of the differential equations with sources and impurity diffusion, written for each component. The equations are solved by the finite-difference method. The developed version of the three-dimensional code is based on a general approach of the spatial three-dimensional description of thermal-hydraulic and mass-transfer processes in fuel rod bundles. The determining system of finite-difference equations of hydrodynamics and heat exchange is obtained using the control volume approach. As a result of the performed calculations, valuable data on corrosion products transfer in the primary circuit of the BN-600 reactor are obtained.

  4. Integrable model for two interacting magnetic impurities with {Gamma}{sub 8} ground multiplet

    SciTech Connect

    Schlottmann, P.

    1999-02-01

    A model for two Kondo impurities with a fourfold degenerate ground multiplet interacting via the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction is considered. The system is the integer-valent limit of a hybridization model in which electrons are localized (delocalized) in pairs (one at each impurity). The model is mapped onto the Bethe {ital Ansatz} solution of the single SU(N) Anderson impurity in the U{r_arrow}{infinity} limit. The RKKY interaction is introduced {ital a posteriori} as a splitting of the manifold. The occupation of spin states with even and odd parities, the homogeneous and staggered magnetic (and quadrupolar) field susceptibilities, the specific-heat {gamma} coefficient, and the Wilson ratio are studied for the ground state as a function of the ratio of RKKY coupling strength to Kondo temperature. The motivation for this calculation is the rich phase diagram of the alloy series (Ce,La)B{sub 6}. {copyright} {ital 1999} {ital The American Physical Society}

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Impurity transport and retention in a gas target divertor: simulation experiments in PISCES-A and modeling results

    NASA Astrophysics Data System (ADS)

    Schmitz, L.; Blush, L.; Chevalier, G.; Lehmer, R.; Hirooka, Y.; Chia, P.; Tynan, G.; Conn, R. W.

    1992-12-01

    Impurity retention in the gaseous divertor regime is investigated in the PISCES-A facility at UCLA. We report measurements and 1 1/2D fluid modeling results of impurity transport for typical tokamak divertor plasma parameters (10 18≤ ne≤3×10 19m -3, kTe≤20 eV). The neutral hydrogen density close to the (simulated) divertor target is 10 20≤ n0≤3×10 21 m -3. Gaseous trace impurities (argon, neon) as well as low- Z and high- Z materials sputtering carbon, tungsten) are studied. It is observed that the impurity retention in a gaseous divertor is substantially improved as compared to conventional divertor operating regimes. The modeling results suggest that the retention of neutral and ionized impurities is mainly due to collisions with hydrogen (deuterium) neutrals and ions streaming towards the divertor target a a velocity of 0.25-0.5 cs. A low level of residual impurity transport, observed at high neutral density, is attributed to a plasma flow reversal close to the radial boundary. Sputtering of a tungsten sample by intrinsic impurities has been shown to decrease substantially for target electron temperatures kTe<5 eV.

  12. 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.

  13. Machine learning for many-body physics: The case of the Anderson impurity model

    NASA Astrophysics Data System (ADS)

    Arsenault, Louis-François; Lopez-Bezanilla, Alejandro; von Lilienfeld, O. Anatole; Millis, Andrew J.

    2014-10-01

    Machine learning methods are applied to finding the Green's function of the Anderson impurity model, a basic model system of quantum many-body condensed-matter physics. Different methods of parametrizing the Green's function are investigated; a representation in terms of Legendre polynomials is found to be superior due to its limited number of coefficients and its applicability to state of the art methods of solution. The dependence of the errors on the size of the training set is determined. The results indicate that a machine learning approach to dynamical mean-field theory may be feasible.

  14. 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.

  15. 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…

  16. 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.

  17. Variational wave functions for the S =1/2 Heisenberg model on the anisotropic triangular lattice: Spin liquids and spiral orders

    NASA Astrophysics Data System (ADS)

    Ghorbani, Elaheh; Tocchio, Luca F.; Becca, Federico

    2016-02-01

    By using variational wave functions and quantum Monte Carlo techniques, we investigate the complete phase diagram of the Heisenberg model on the anisotropic triangular lattice, where two out of three bonds have superexchange couplings J and the third one has instead J'. This model interpolates between the square lattice and the isotropic triangular one, for J'/J ≤1 , and between the isotropic triangular lattice and a set of decoupled chains, for J /J'≤1 . We consider all the fully symmetric spin liquids that can be constructed with the fermionic projective-symmetry group classification (Zhou and Wen, arXiv:cond-mat/0210662) and we compare them with the spiral magnetic orders that can be accommodated on finite clusters. Our results show that, for J'/J ≤1 , the phase diagram is dominated by magnetic orderings, even though a spin-liquid state may be possible in a small parameter window, i.e., 0.7 ≲J'/J ≲0.8 . In contrast, for J /J'≤1 , a large spin-liquid region appears close to the limit of decoupled chains, i.e., for J /J'≲0.6 , while magnetically ordered phases with spiral order are stabilized close to the isotropic point.

  18. Topological defects of Néel order and Kondo singlet formation for the Kondo-Heisenberg model on a honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Goswami, Pallab; Si, Qimiao

    2014-01-01

    Heavy-fermion systems represent a prototypical setting to study magnetic quantum phase transitions. A particular focus has been on the physics of Kondo destruction, which captures quantum criticality beyond the Landau framework of order-parameter fluctuations. In this context, we study the spin one-half Kondo-Heisenberg model on a honeycomb lattice at half filling. The problem is approached from the Kondo-destroyed, antiferromagnetically ordered insulating phase. We describe the local moments in terms of a coarse grained quantum nonlinear sigma model, and show that the skyrmion defects of the antiferromagnetic order parameter host a number of competing order parameters. In addition to the spin Peierls, charge and current density wave order parameters, we identify for the first time Kondo singlets as the competing orders of the antiferromagnetism. We show that the antiferromagnetism and various competing singlet orders can be related to each other via generalized chiral transformations of the underlying fermions. We also show that the conduction electrons acquire a Berry phase through their coupling to the hedgehog configurations of the Néel order, which cancels the Berry phase of the local moments. Our results demonstrate the competition between the Kondo singlet formation and spin-Peierls order when the antiferromagnetic order is suppressed, thereby shedding new light on the global phase diagram of heavy-fermion systems at zero temperature.

  19. 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

  20. 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.

  1. 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.

  2. 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

  3. Bose-Hubbard model with random impurities: Multiband and nonlinear hopping effects

    NASA Astrophysics Data System (ADS)

    Stasińska, Julia; Łacki, Mateusz; Dutta, Omjyoti; Zakrzewski, Jakub; Lewenstein, Maciej

    2014-12-01

    We investigate the phase diagrams of theoretical models describing bosonic atoms in a lattice in the presence of randomly localized impurities. By including multiband and nonlinear hopping effects we enrich the standard model containing only the chemical-potential disorder with the site-dependent hopping term. We compare the extension of the MI and the BG phase in both models using a combination of the local mean-field method and a Hartree-Fock-like procedure, as well as the Gutzwiller-ansatz approach. We show analytical argument for the presence of triple points in the phase diagram of the model with chemical-potential disorder. These triple points, however, cease to exist after the addition of the hopping disorder.

  4. Plaquette valence-bond solid in the square-lattice J1-J2 antiferromagnet Heisenberg model: A bond operator approach

    NASA Astrophysics Data System (ADS)

    Doretto, R. L.

    2014-03-01

    We study the plaquette valence-bond solid phase of the spin-1/2J1-J2 antiferromagnet Heisenberg model on the square lattice within the bond-operator theory. We start by considering four S =1/2 spins on a single plaquette and determine the bond operator representation for the spin operators in terms of singlet, triplet, and quintet boson operators. The formalism is then applied to the J1-J2 model and an effective interacting boson model in terms of singlets and triplets is derived. The effective model is analyzed within the harmonic approximation and the previous results of Zhitomirsky and Ueda [Phys. Rev. B 54, 9007 (1996), 10.1103/PhysRevB.54.9007] are recovered. By perturbatively including cubic (triplet-triplet-triplet and singlet-triplet-triplet) and quartic interactions, we find that the plaquette valence-bond solid phase is stable within the parameter region 0.340.48J1, it is related to a singlet-singlet excitation at the X =(π/2,0) point of the tetramerized Brillouin zone.

  5. 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.

  6. Monte Carlo impurity transport modeling in the DIII-D transport

    SciTech Connect

    Evans, T.E.; Finkenthal, D.F.

    1998-04-01

    A description of the carbon transport and sputtering physics contained in the Monte Carlo Impurity (MCI) transport code is given. Examples of statistically significant carbon transport pathways are examined using MCI`s unique tracking visualizer and a mechanism for enhanced carbon accumulation on the high field side of the divertor chamber is discussed. Comparisons between carbon emissions calculated with MCI and those measured in the DIII-D tokamak are described. Good qualitative agreement is found between 2D carbon emission patterns calculated with MCI and experimentally measured carbon patterns. While uncertainties in the sputtering physics, atomic data, and transport models have made quantitative comparisons with experiments more difficult, recent results using a physics based model for physical and chemical sputtering has yielded simulations with about 50% of the total carbon radiation measured in the divertor. These results and plans for future improvement in the physics models and atomic data are discussed.

  7. Monte Carlo impurity transport modeling in the DIII-D Tokamak

    SciTech Connect

    Evans, T. E.; Finkenthal, D. F.

    1998-09-28

    A description of the carbon transport and sputtering physics contained in the Monte Carlo Impurity (MCI) transport code is given. Examples of statistically significant carbon transport pathways are examined using MCI's unique tracking visualizer and a mechanism for enhanced carbon accumulation on the high field side of the divertor chamber is discussed. Comparisons between carbon emissions calculated with MCI and those measured in the DIII-D tokamak are described. Good qualitative agreement is found between 2D carbon emission patterns calculated with MCI and experimentally measured carbon patterns. While uncertainties in the sputtering physics, atomic data, and transport models have made quantitative comparisons with experiments more difficult, recent results using a physics based model for physical and chemical sputtering has yielded simulations with about 50% of the total carbon radiation measured in the divertor. These results and plans for future improvement in the physics models and atomic data are discussed.

  8. 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.

  9. Pu 4f XPS spectra analyzed in the Anderson impurity model

    SciTech Connect

    Cox, L.E.; Peek, J.M.; Allen, J.W.

    1998-05-09

    X-ray photoemission spectra of the {alpha},{beta},{gamma}, and {delta} phases of Pu have been analyzed using the Gunnarsson-Schonhammer implementation of the Anderson impurity model. Changes in the relative intensities of the two spectral features representing mixed f{sup 5} and f{sup 6} final states are in reasonable agreement with the model`s predictions. The coulomb terms, U{sub ff} and U{sub fc}, are quite consistent with those derived from atomic and LDA calculations. Multiplet structure, which agrees with atomic calculations for 4f{sup 13}5f{sup 5}, strongly suggests 5f localization in the final state.

  10. The influence of some model parameters on the impurity distribution implanted into substrate surface

    NASA Astrophysics Data System (ADS)

    Parfenova, E. S.; Knyazeva, A. G.

    2016-04-01

    The model for description of the initial stage of ion implantation into the surface layer of the metal is presented. The interdependence of embedded impurity concentration and deformations arising from the impact of particles on the surface is investigated. The model takes into account the particle diffusion, the finite time of mass flux relaxation; the stress appearance due to a composition change of the surface layer and a mass transfer phenomenon under a stress gradient action. It is established that the interaction of mechanical waves and concentration leads to a distribution of concentration not corresponding to a pure diffusion process. The examples of coupled problems solution for different sets of model parameters are presented.

  11. 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.

  12. 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.

  13. Application of the Single-Impurity Model to Uranium Alloy Photoelectron Spectroscopy

    NASA Astrophysics Data System (ADS)

    Denlinger, J. D.; Zhang, Y. X.; Allen, J. W.; Yang, S.-H.; Oh, S.-J.; Cho, E.-J.; Ellis, W. P.; Gajewski, D. A.; Chau, R.; Maple, M. B.

    1998-03-01

    The basic interpretation of the spectral properties of cerium and its metallic compounds has been established within the framework of the single-impurity Anderson Hamiltonian and correlated to novel transport properties [1]. However, similar interpretation of uranium spectra has been lacking due in part to weaker electron correlation and increased multiplet complexity and in part to various experimental limitations. Recent high resolution valence spectroscopy of three uranium alloy series, (Y,U)Pd_3, U(Pd,Cu)5 and U(Pd,Pt)_3, plus core-level and inverse photoemission spectroscopies, have revealed U 5f spectral features with systematics qualitatively consistent with the single-impurity model. Progress in describing quantitatively all three electron spectroscopies with consistent input parameters to the zero temperture 1/Nf expansion of Gunnarson and Schönhammer will be reported. [0in] [1] J. W. Allen, et al., Adv. Phys. 35, 175 (1986); L.-Z. Liu, et al., Phys. Rev B 45, 8934 (1992); J. W. Allen and L.-Z. Liu, Phys. Rev. B 46, 5047 (1992). Supported at UM by DoE Grant No. DE-FG02-90ER45416 and NSF Grant No. DMR-94-23741; at UCSD by NSF Grant No. DMR-94-08835.

  14. Validation of gyrokinetic modelling of light impurity transport including rotation in ASDEX Upgrade

    NASA Astrophysics Data System (ADS)

    Casson, F. J.; McDermott, R. M.; Angioni, C.; Camenen, Y.; Dux, R.; Fable, E.; Fischer, R.; Geiger, B.; Manas, P.; Menchero, L.; Tardini, G.; the ASDEX Upgrade Team

    2013-06-01

    Upgraded spectroscopic hardware and an improved impurity concentration calculation allow accurate determination of boron density in the ASDEX Upgrade tokamak. A database of boron measurements is compared to quasilinear and nonlinear gyrokinetic simulations including Coriolis and centrifugal rotational effects over a range of H-mode plasma regimes. The peaking of the measured boron profiles shows a strong anti-correlation with the plasma rotation gradient, via a relationship explained and reproduced by the theory. It is demonstrated that the rotodiffusive impurity flux driven by the rotation gradient is required for the modelling to reproduce the hollow boron profiles at higher rotation gradients. The nonlinear simulations validate the quasilinear approach, and, with the addition of perpendicular flow shear, demonstrate that each symmetry breaking mechanism that causes momentum transport also couples to rotodiffusion. At lower rotation gradients, the parallel compressive convection is required to match the most peaked boron profiles. The sensitivities of both datasets to possible errors is investigated, and quantitative agreement is found within the estimated uncertainties. The approach used can be considered a template for mitigating uncertainty in quantitative comparisons between simulation and experiment.

  15. 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.

  16. 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.

  17. Measurements and modeling of impurity source distributions from the Tore Supra outboard pump limiter

    SciTech Connect

    Klepper, C.C.; Hogan, J.T.; Tobin, S.J.; Isler, R.C.; Guilhem, D.; Hess, W.R.; Monier-Garbet, P.

    1994-09-01

    An experiment has been carried out to study impurity generation processes on an inertial limiter on Tore Supra. It is part of a plan to assemble a more detailed integrated picture of impurity generation at the inner wall, the outboard and vertical pump limiters, and the heating and current drive antennas. A system has been implemented to permit quantitative measurement of impurity sources from the outboard limiter in Tore Supra. Data are presented for a representative case in which the limiter is isolated as much as possible from connection with other Tore Supra plasma-facing components. The data are compared with results from the Monte-Carlo SOL impurity transport code BBQ, in an attempt to identify the mechanism for impurity release. Evidence of chemical sputtering as an important impurity source is seen.

  18. 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

  19. 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.

  20. An effective-charge model for the trapping of impurities of fluids in channels with nanostructured walls

    PubMed Central

    2013-01-01

    We present model equations for the trapping and accumulation of particles in a cylindrical channel with nanostructured inner walls when a fluid passes through, carrying a moderate load of impurities. The basic ingredient of the model is the introduction of a phenomenological ‘effective-charge density’ of the walls, related to the electrical charges exposed in the nanotexture. The effective charge is gradually reduced as the flow runs through the channel and the trapped impurities cover the internal walls. Based on the proposed equations, the position and time dependence of the areal density of trapped impurities, and the filtration performance, may be calculated. It is proposed that experimentally testing these results may help to understand the enhanced trapping capability observed in many diverse nanotextured channel structures. PMID:23302600

  1. Buildup of the Kondo effect from real-time effective action for the Anderson impurity model

    NASA Astrophysics Data System (ADS)

    Bock, Sebastian; Liluashvili, Alexander; Gasenzer, Thomas

    2016-07-01

    The nonequilibrium time evolution of a quantum dot is studied by means of dynamic equations for time-dependent Green's functions derived from a two-particle-irreducible (2PI) effective action for the Anderson impurity model. Coupling the dot between two leads at different voltages, the dynamics of the current through the dot is investigated. We show that the 2PI approach is capable of describing the dynamical buildup of the Kondo effect, which shows up as a sharp resonance in the spectral function, with a width exponentially suppressed in the electron self-coupling on the dot. An external voltage applied to the dot is found to deteriorate the Kondo effect at the hybridization scale. The dynamic equations are evaluated within different nonperturbative resummation schemes, within the direct, particle-particle, and particle-hole channels, as well as their combination, and the results compared with those from other methods.

  2. 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

  3. Modeling impurity distribution in an ST tokamak using a transmission grating based diagnostic in the EUV range

    NASA Astrophysics Data System (ADS)

    Kumar, Deepak; Stutman, Dan; Tritz, Kevin; Finkenthal, Michael

    2010-11-01

    A free standing transmission grating based imaging spectrometer is used to monitor impurity radiation emitted by the NSTX tokamak in the EUV range covering 30-700 å (D. Kumar et. al., Rev. Sci. Instrum., in print). The spectrometer can successfully distinguish between the space distribution of the charge exchange radiation of C, O and N ions (localized to the beam interaction region), the edge emission from low Z elements and the core emission from high Z impurities, such as Cl. However, because of the mid plane toroidal view of plasma the spatial profiles of various lines are hard to interpret quantitatively. A geometric model based on the atomic data provided by ADAS is being developed to estimate the impurity spatial distribution. The spectrometer operates at a time resolution of ˜400 ms. An upgrade to a faster detection system is presently implemented and the corresponding results will also be shown.

  4. 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.

  5. Various Kondo Effects for a Model Cerium Impurity in Normal Metals

    NASA Astrophysics Data System (ADS)

    Kim, Tae-Suk

    1995-11-01

    In this dissertation, we study a realistic extension of the conventional simple approach to the Kondo effect for Cerium(Ce^{3+}) ions, including the finite Coulomb interaction, the strong spin -orbit coupling, the crystal electric field effect, and multiple configurations in their simplest form. In the conventional approach, the f^2 configuration was removed from the problem, assuming the infinite on-site Coulomb interaction. Then only the one-channel exchange interaction is present between f ^0 and f^1 configurations for Ce ions. Relaxing the infinite on-site Coulomb interaction and including the detailed atomic energy structure leads to rich physics. Keeping the lowest lying doublet in the f^1 configuration, we find various exchange interactions which were missing in the conventional theory. In the hybridization between f^1 and f^2 configurations, we find with the impurity pseudospin S_ {I} = 1/2: (i) a two-channel exchange interaction with the conduction electron pseudo spin S _{c} = 1/2; (ii) a one-channel exchange interaction with the conduction electron pseudo spin S_{c} 3/2; (iii) One-channel ferromagnetic or antiferromagnetic exchange interactions with the conduction electron pseudo spin S_{c} = 1/2; (iv) Mixing exchange interactions among the conduction electrons belonging to the different partial wave channels. We analyze various exchange interactions using the scaling theory to study the stability of non-Fermi liquid fixed points. In this model study, we find only three types of stable fixed points. The well-studied one -channel strong coupling fixed point is stable. The two -channel fixed point of model (i) remains stable even in the presence of the channel symmetry breaking and channel mixing interactions. The unexpected three-channel fixed point of the combined model for (i) and (iii) is stable. Furthermore, we discovered a "zoo" of unstable fixed points where all kinds of exchange interactions are realized. Using the non-crossing approximation, we

  6. Monte Carlo impurity transport modeling in the DIII{endash}D Tokamak

    SciTech Connect

    Evans, T.E.; Finkenthal, D.F.

    1998-09-01

    A description of the carbon transport and sputtering physics contained in the Monte Carlo Impurity (MCI) transport code is given. Examples of statistically significant carbon transport pathways are examined using MCI{close_quote}s unique tracking visualizer and a mechanism for enhanced carbon accumulation on the high field side of the divertor chamber is discussed. Comparisons between carbon emissions calculated with MCI and those measured in the DIII{endash}D tokamak are described. Good qualitative agreement is found between 2D carbon emission patterns calculated with MCI and experimentally measured carbon patterns. While uncertainties in the sputtering physics, atomic data, and transport models have made quantitative comparisons with experiments more difficult, recent results using a physics based model for physical and chemical sputtering has yielded simulations with about 50{percent} of the total carbon radiation measured in the divertor. These results and plans for future improvement in the physics models and atomic data are discussed. {copyright} {ital 1998 American Institute of Physics.}

  7. 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.

  8. Galois Symmetries of Bethe Parameters for the Heisenberg Pentagon

    NASA Astrophysics Data System (ADS)

    Banaszak, G.; Lulek, B.; Lulek, T.; Milewski, J.; Szydło, B.

    2013-04-01

    In this paper the field generated by the Bethe parameters related to the XXX model for the Heisenberg pentagon is considered. For the interior of the Brillouin zone, the Galois group of the Bethe number field over the rationals is determined. This Galois group is recognized as the group of arithmetic symmetries of the Bethe parameters.

  9. Heisenberg uncertainty in reduced power algebras

    NASA Astrophysics Data System (ADS)

    Rosinger, Elemér E.

    2012-12-01

    The Heisenberg uncertainty relation is known to be obtainable by a purely mathematical argument. Based on that fact, here it is shown that the Heisenberg uncertainty relation remains valid when Quantum Mechanics is re-formulated within far wider frameworks of scalars, namely, within one or the other of the infinitely many reduced power algebras which can replace the usual real numbers R, or complex numbers C. Three possible major advantages in Physics of such a reformulation are: 1) the disappearance of the well known and hard to deal with problem of the so called "infinities in Physics", 2) the possibilitiy to have infinitely many "levels of precision" instead of the only one existing at present, 3) the possibility to model "hierarchies of Planck constants", [2]. Last and not least, the scalars given by reduced power algebras contain as a particular case those obtained by Nonstandard Analysis, yet they are far more simple and easy to deal with, being in fact on the level of a first course in Algebra. A detailed version of this paper can be found in arxiv:0901.4825.

  10. 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.

  11. Fermi-liquid theory for the single-impurity Anderson model

    NASA Astrophysics Data System (ADS)

    Mora, Christophe; Moca, Cǎtǎlin Paşcu; von Delft, Jan; Zaránd, Gergely

    2015-08-01

    We generalize Nozières' Fermi-liquid theory for the low-energy behavior of the Kondo model to that of the single-impurity Anderson model. In addition to the electrons' phase shift at the Fermi energy, the low-energy Fermi-liquid theory is characterized by four Fermi-liquid parameters: the two given by Nozières that enter to first order in the excitation energy, and two additional ones that enter to second order and are needed away from particle-hole symmetry. We express all four parameters in terms of zero-temperature physical observables, namely the local charge and spin susceptibilities and their derivatives with respect to the local level position. We determine these in terms of the bare parameters of the Anderson model using Bethe ansatz and numerical renormalization group (NRG) calculations. Our low-energy Fermi-liquid theory applies throughout the crossover from the strong-coupling Kondo regime via the mixed-valence regime to the empty-orbital regime. From the Fermi-liquid theory, we determine the conductance through a quantum dot symmetrically coupled to two leads in the regime of small magnetic field, low temperature, and small bias voltage, and compute the coefficients of the ˜B2 , ˜T2 , and ˜V2 terms exactly in terms of the Fermi-liquid parameters. The coefficients of T2, V2, and B2 are found to change sign during the Kondo to empty-orbital crossover. The crossover becomes universal in the limit that the local interaction is much larger than the level width. For completeness, we also compute the shot noise and discuss the resulting Fano factor.

  12. 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.

  13. 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. PMID:27311479

  14. 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.

  15. A Finite Difference Method for Modeling Migration of Impurities in Multilayer Systems

    NASA Astrophysics Data System (ADS)

    Tosa, V.; Kovacs, Katalin; Mercea, P.; Piringer, O.

    2008-09-01

    A finite difference method to solve the one-dimensional diffusion of impurities in a multilayer system was developed for the special case in which a partition coefficient K impose a ratio of the concentrations at the interface between two adiacent layers. The fictitious point method was applied to derive the algebraic equations for the mesh points at the interface, while for the non-uniform mesh points within the layers a combined method was used. The method was tested and then applied to calculate migration of impurities from multilayer systems into liquids or solids samples, in migration experiments performed for quality testing purposes. An application was developed in the field of impurities migrations from multilayer plastic packagings into food, a problem of increasing importance in food industry.

  16. Ternary generalization of Heisenberg's algebra

    NASA Astrophysics Data System (ADS)

    Kerner, Richard

    2015-06-01

    A concise study of ternary and cubic algebras with Z3 grading is presented. We discuss some underlying ideas leading to the conclusion that the discrete symmetry group of permutations of three objects, S3, and its abelian subgroup Z3 may play an important role in quantum physics. We show then how most of important algebras with Z2 grading can be generalized with ternary composition laws combined with a Z3 grading. We investigate in particular a ternary, Z3-graded generalization of the Heisenberg algebra. It turns out that introducing a non-trivial cubic root of unity, , one can define two types of creation operators instead of one, accompanying the usual annihilation operator. The two creation operators are non-hermitian, but they are mutually conjugate. Together, the three operators form a ternary algebra, and some of their cubic combinations generate the usual Heisenberg algebra. An analogue of Hamiltonian operator is constructed by analogy with the usual harmonic oscillator, and some properties of its eigenfunctions are briefly discussed.

  17. Heisenberg antiferromagnet on the Husimi lattice

    NASA Astrophysics Data System (ADS)

    Liao, H. J.; Xie, Z. Y.; Chen, J.; Han, X. J.; Xie, H. D.; Normand, B.; Xiang, T.

    2016-02-01

    We perform a systematic study of the antiferromagnetic Heisenberg model on the Husimi lattice using numerical tensor-network methods based on projected entangled simplex states. The nature of the ground state varies strongly with the spin quantum number S . For S =1/2 , it is an algebraic (gapless) quantum spin liquid. For S =1 , it is a gapped, nonmagnetic state with spontaneous breaking of triangle symmetry (a trimerized simplex-solid state). For S =2 , it is a simplex-solid state with a spin gap and no symmetry breaking; both integer-spin simplex-solid states are characterized by specific degeneracies in the entanglement spectrum. For S =3/2 , and indeed for all spin values S ≥5/2 , the ground states have 120∘ antiferromagnetic order. In a finite magnetic field, we find that, irrespective of the value of S , there is always a plateau in the magnetization at m =1/3 .

  18. Third-order Scaling Analysis of various exchange interactions for a model Cerium impurity in normal Metals^*

    NASA Astrophysics Data System (ADS)

    Kim, T. S.; Cox, D. L.

    1996-03-01

    We introduce various exchange interactions for a model Ce^3+ impurity in cubic symmetry and analyze them using the perturbative renormalization group. In addition to the well-known one- and two-channel S_c=S_I=1/2 exchange interactions (Sc and SI are the conduction electron and the impurity pseudo spins, respectively), a new one-channel S_c=3/2, S_I=1/2 exchange interaction is found. This new exchange interaction competes with the two-channel exchange interaction. Using the perturbative renormalization group approach, we present all possible stable fixed points (one-, two-, and three-channel S_c=S_I=1/2 Kondo effect) and a ``zoo" of unstable fixed points some of which have non-Fermi liquid excitation spectra. ^* This work was supported by US DOE, BES, Materials Research.

  19. 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

  20. 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.

  1. EMC3-EIRENE modelling of edge impurity transport in the stochastic layer of the large helical device compared with extreme ultraviolet emission measurements

    NASA Astrophysics Data System (ADS)

    Dai, Shuyu; Kobayashi, M.; Kawamura, G.; Morita, S.; Zhang, H. M.; Oishi, T.; Feng, Y.; Wang, D. Z.; Suzuki, Y.; the LHD Experimental Group

    2016-06-01

    The transport properties and line emissions of carbon impurity in the stochastic layer of the Large Helical Device have been investigated with the 3D edge transport code EMC3-EIRENE. A parameter study has been performed to examine the sensitivity of the simulation results on each transport term in the impurity transport model and the impurity source characteristics, i.e. the source amount and the location. The modelling has revealed that in order to reproduce the experimental results of the emission distribution, the impurity perpendicular transport coefficient (D imp) and the first wall source play important roles, while changes to the ion thermal and the friction forces are rather irrelevant. The detailed study of flux tube tracing and magnetic field structure in the edge stochastic layer, in relation to impurity transport, has shown that the deeper penetration of impurity into the higher plasma density region due to the enhanced D imp and the first wall source is responsible for the change of emission pattern as well as the intensity. The analysis indicates that D imp might be larger than that of background plasma by a few factors and also that there probably exists a substantial amount of first wall impurity source.

  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. 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.

  4. Quantum states for Heisenberg limited interferometry

    NASA Astrophysics Data System (ADS)

    Uys, Hermann; Meystre, Pierre

    2007-06-01

    An important aspect of quantum metrology is the engineering of quantum states with which to achieve Heisenberg limited measurement precision. In this limit the measurement uncertainty is inversely proportional to the number of interfering particles, N, a 1/√N improvement over the standad quantum limit. We have used numerical global optimization strategies to systematically search for quantum interferometer input states that achieve Heisenberg limited uncertainty in estimates of the interferometer phase shift. We compare the performance of candidates so obtained with that of non-classical states already known to yield Heisenberg limited uncertainty.

  5. Quantum states for Heisenberg-limited interferometry

    NASA Astrophysics Data System (ADS)

    Uys, H.; Meystre, P.

    2007-07-01

    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/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.

  6. Determination of Cefoperazone Sodium in Presence of Related Impurities by Linear Support Vector Regression and Partial Least Squares Chemometric Models

    PubMed Central

    Naguib, Ibrahim A.; Abdelaleem, Eglal A.; Zaazaa, Hala E.; Hussein, Essraa A.

    2015-01-01

    A comparison between partial least squares regression and support vector regression chemometric models is introduced in this study. The two models are implemented to analyze cefoperazone sodium in presence of its reported impurities, 7-aminocephalosporanic acid and 5-mercapto-1-methyl-tetrazole, in pure powders and in pharmaceutical formulations through processing UV spectroscopic data. For best results, a 3-factor 4-level experimental design was used, resulting in a training set of 16 mixtures containing different ratios of interfering moieties. For method validation, an independent test set consisting of 9 mixtures was used to test predictive ability of established models. The introduced results show the capability of the two proposed models to analyze cefoperazone in presence of its impurities 7-aminocephalosporanic acid and 5-mercapto-1-methyl-tetrazole with high trueness and selectivity (101.87 ± 0.708 and 101.43 ± 0.536 for PLSR and linear SVR, resp.). Analysis results of drug products were statistically compared to a reported HPLC method showing no significant difference in trueness and precision, indicating the capability of the suggested multivariate calibration models to be reliable and adequate for routine quality control analysis of drug product. SVR offers more accurate results with lower prediction error compared to PLSR model; however, PLSR is easy to handle and fast to optimize. PMID:26664764

  7. 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.

  8. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

    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.

  10. 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.

  11. 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

  12. 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.

  13. Entanglement Perturbation Theory for Antiferromagnetic Heisenberg Spin Chains

    NASA Astrophysics Data System (ADS)

    Wang, Lihua; Chung, Sung Gong

    2012-11-01

    A recently developed numerical method, entanglement perturbation theory (EPT), is used to study the antiferromagnetic Heisenberg spin chains with z-axis anisotropy λ and magnetic field B. To demonstrate its accuracy, we first apply EPT to the isotropic spin-1/2 antiferromagnetic Heisenberg model, and find that EPT successfully reproduces the exact Bethe ansatz results for the ground state energy, the local magnetization, and the spin correlation functions (Bethe ansatz result is available for the first seven lattice separations). In particular, EPT confirms for the first time the asymptotic behavior of the spin correlation functions predicted by the conformal field theory, which realizes only for lattice separations larger than 1000. Next, turning on the z-axis anisotropy and the magnetic field, the 2- and 4-spin correlation functions are calculated, and the results are compared with those obtained by bosonization and density matrix renormalization group methods. Finally, for the spin-1 antiferromagnetic Heisenberg model, the ground state phase diagram in λ space is determined by Roomany--Wyld renormalization group (RG) finite size scaling. The results are in good agreement with those obtained by the level-spectroscopy method.

  14. Impurity-Band Model for GaP1-xNx

    SciTech Connect

    Fluegel, B.; Zhang, Y.; Geisz, J. F.; Mascarenhas, A.

    2005-11-01

    Low-temperature absorption studies on free-standing GaP1-xNx films provide direct experimental evidence that the host conduction-band minimum (CBM) near X1C does not plunge downward with increased nitrogen doping, contrary to what has been suggested recently; rather, it remains stationary for x up to 0.1%. This fact, combined with the results of earlier studies of the CBM at ..GAMMA.. and conduction-band edge near L, confirms that the giant bandgap lowering observed in GaP1-xNx results from a CBM that evolves purely from nitrogen impurity bands.

  15. Impurities in silicon solar cells

    NASA Technical Reports Server (NTRS)

    Hopkins, R. H.

    1985-01-01

    Metallic impurities, both singly and in combinations, affect the performance of silicon solar cells. Czochralski silicon web crystals were grown with controlled additions of secondary impurities. The primary electrical dopants were boron and phosphorus. The silicon test ingots were grown under controlled and carefully monitored conditions from high-purity charge and dopant material to minimize unintentional contamination. Following growth, each crystal was characterized by chemical, microstructural, electrical, and solar cell tests to provide a detailed and internally consistent description of the relationships between silicon impurity concentration and solar cell performance. Deep-level spectroscopy measurements were used to measure impurity concentrations at levels below the detectability of other techniques and to study thermally-induced changes in impurity activity. For the majority of contaminants, impurity-induced performance loss is due to a reduction of the base diffusion length. From these observations, a semi-empirical model which predicts cell performance as a function of metal impurity concentration was formulated. The model was then used successfully to predict the behavior of solar cells bearing as many as 11 different impurities.

  16. 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.

  17. Modeling of limiter heat loads and impurity transport in Wendelstein 7-X startup plasmas

    NASA Astrophysics Data System (ADS)

    Effenberg, Florian; Feng, Y.; Frerichs, H.; Schmitz, O.; Hoelbe, H.; Koenig, R.; Krychowiak, M.; Pedersen, T. S.; Bozhenkov, S.; Reiter, D.

    2015-11-01

    The quasi-isodynamic stellarator Wendelstein 7-X starts plasma operation in a limiter configuration. The field consists of closed magnetic flux surfaces avoiding magnetic islands in the plasma boundary. Because of the small size of the limiters and the absence of wall-protecting elements in this phase, limiter heat loads and impurity generation due to plasma surface interaction become a concern. These issues are studied with the 3D fluid plasma edge and kinetic neutral transport code EMC3-Eirene. It is shown that the 3D SOL consists of three separate helical magnetic flux bundles of different field line connection lengths. A density scan at input power of 4MW reveals a strong modulation of the plasma paramters with the connection length. The limiter peak heat fluxes drop from 14 MWm-2 down to 10 MWm-2 with raising the density from 1 ×1018m-3 to 1.9 ×1019m-3, accompanied by an increase of the heat flux channel widths λq. Radiative power losses can help to avoid thermal overloads of the limiters at the upper margin of the heating power. The power removal feasibility of the intrinsic carbon and other extrinsic light impurities via active gas injection is discussed as a preparation of this method for island divertor operation. Work supported in part by start up funds of the Department of Engineering Physics at the University of Wisconsin - Madison, USA and by the U.S. Department of Energy under grant DE-SC0013911.

  18. 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

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

    PubMed

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

    2015-01-01

    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

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

    NASA Astrophysics Data System (ADS)

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

    2015-07-01

    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.

  1. 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.

  2. 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 .

  3. Comparing models for the ground state energy of a trapped one-dimensional Fermi gas with a single impurity

    NASA Astrophysics Data System (ADS)

    Loft, N. J. S.; Kristensen, L. B.; Thomsen, A. E.; Zinner, N. T.

    2016-06-01

    We discuss the local density approximation approach to calculating the ground state energy of a one-dimensional Fermi gas containing a single impurity, and compare the results with exact numerical values that we have for up to 11 particles for general interaction strengths and up to 30 particles in the strongly interacting case. We also calculate the contact coefficient in the strongly interacting regime. The different theoretical predictions are compared to recent experimental results with few-atom systems. Firstly, we find that the local density approximation suffers from great ambiguity in the few-atom regime, yet it works surprisingly well for some models. Secondly, we find that the strong interaction theories quickly break down when the number of particles increase or the interaction strength decreases.

  4. 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.

  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. 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?

  7. Model based computation of the impurity distribution in the wall of a tube grown from the melt by the edge-defined film-fed growth technique

    NASA Astrophysics Data System (ADS)

    Balint, Agneta M.; Balint, Stefan; Jójárt, Balázs

    2014-11-01

    In this paper the impurity distribution is computed in an axis-symmetric (2D) domain, which represents the meniscus and a part of the capillary channel. The model takes into account the pulling rate, thermal convection, molecular diffusion and thermo diffusion. Numerical illustration is given for Al doped cylindrical Si tube wall and the contribution of each effect is evaluated. The main novelties consist in the fact that the axis-symmetric (2D) domain is obtained by a prior computation using the Young-Laplace capillary surface equation and the heat transport equation as well in the inclusion of the thermo diffusion effect in the impurity distribution equation, respectively.

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

    SciTech Connect

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

    2008-01-01

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

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

    SciTech Connect

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

    2008-01-01

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

  10. Quantum localization in bilayer Heisenberg antiferromagnets with site dilution.

    PubMed

    Roscilde, Tommaso; Haas, Stephan

    2005-11-11

    The field-induced antiferromagnetic ordering in systems of weakly coupled S = 1/2 dimers at zero temperature can be described as a Bose-Einstein condensation of triplet quasiparticles (singlet quasiholes) in the ground state. For the case of a Heisenberg bilayer, it is here shown how the above picture is altered in the presence of site dilution of the magnetic lattice. Geometric randomness leads to quantum localization of the quasiparticles or quasiholes and to an extended Bose-glass phase in a realistic disordered model. This localization phenomenon drives the system towards a quantum-disordered phase well before the classical geometric percolation threshold is reached. PMID:16384096

  11. Entanglement of Two-Qubit Quantum Heisenberg XYZ Chain

    NASA Astrophysics Data System (ADS)

    Xi, Xiao-Qiang; Hao, San-Ru; Chen, Wen-Xue; Yue, Rui-Hong

    2002-08-01

    We derive the analytic expression of the concurrence in the quantum Heisenberg XYZ model and discuss the influence of parameters J, Δ and Γ on the concurrence. By choosing different values of Γ and Δ, we obtain the XX, XY, XXX and XXZ chains. The concurrence decreases with increasing temperature. When T→0, the concurrence reaches its maximum value 1, i.e. the entangled state, |Ψ> = (((2)1/2)/2)(|01>-|10>), is maximum entanglement. For the XXZ chain, when Γ→∞, the concurrence will meet its maximum value Cmax = (sinh (1/T))/(cosh (1/T)).

  12. A Functional Generalization of the Field-Theoretical Renormalization Group Approach for the Single-Impurity Anderson Model

    NASA Astrophysics Data System (ADS)

    Freire, Hermann; Corrêa, Eberth

    2012-02-01

    We apply a functional implementation of the field-theoretical renormalization group (RG) method up to two loops to the single-impurity Anderson model. To achieve this, we follow a RG strategy similar to that proposed by Vojta et al. (in Phys. Rev. Lett. 85:4940, 2000), which consists of defining a soft ultraviolet regulator in the space of Matsubara frequencies for the renormalized Green's function. Then we proceed to derive analytically and solve numerically integro-differential flow equations for the effective couplings and the quasiparticle weight of the present model, which fully treat the interplay of particle-particle and particle-hole parquet diagrams and the effect of the two-loop self-energy feedback into them. We show that our results correctly reproduce accurate numerical renormalization group data for weak to slightly moderate interactions. These results are in excellent agreement with other functional Wilsonian RG works available in the literature. Since the field-theoretical RG method turns out to be easier to implement at higher loops than the Wilsonian approach, higher-order calculations within the present approach could improve further the results for this model at stronger couplings. We argue that the present RG scheme could thus offer a possible alternative to other functional RG methods to describe electronic correlations within this model.

  13. 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.?

  14. 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.

  15. Entanglement, magnetic and quadrupole moments properties of the mixed spin Ising-Heisenberg diamond chain

    NASA Astrophysics Data System (ADS)

    Abgaryan, V. S.; Ananikian, N. S.; Ananikyan, L. N.; Hovhannisyan, V.

    2015-02-01

    Thermal entanglement, magnetic and quadrupole moments properties of the mixed spin-1/2 and spin-1 Ising-Heisenberg model on a diamond chain are considered. Magnetization and quadrupole moment plateaus are observed for the antiferromagnetic couplings. Thermal negativity as a measure of quantum entanglement of the mixed spin system is calculated. Different behavior for the negativity is obtained for the various values of Heisenberg dipolar and quadrupole couplings. The intermediate plateau of the negativity has been observed at the absence of the single-ion anisotropy and quadrupole interaction term. When dipolar and quadrupole couplings are equal there is a similar behavior of negativity and quadrupole moment.

  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. PMID:26551137

  17. 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.

  18. Spin-current Seebeck effect in an interacting quantum dot: Atomic approximation for the Anderson impurity model

    NASA Astrophysics Data System (ADS)

    Ramos, E.; Silva-Valencia, J.; Franco, R.; Siqueira, E. C.; Figueira, M. S.

    2015-11-01

    We study the spin-current Seebeck effect through an immersed gate defined quantum dot, employing the U-finite atomic method for the single impurity Anderson model. Our description qualitatively confirms some of the results obtained by an earlier Hartree-Fock work, but as our calculation includes the Kondo effect, some new features will appear in the spin-current Seebeck effect S, which as a function of the gate voltage present an oscillatory shape. At intermediate temperatures, our results show a three zero structure and at low temperatures, our results are governed by the emergence of the Kondo peak in the transmittance, which defines the behavior of the shape of the S coefficient as a function of the parameters of the model. The oscillatory behavior obtained by the Hartree-Fock approximation reproduces the shape obtained by us in a non-interacting system (U=0). The S sign is sensitive to different polarization of the quantum dot, and as a consequence the device could be employed to experimentally detect the polarization states of the system. Our results also confirm that the large increase of S upon increasing U, obtained by the mean field approximation, is correct only for low temperatures. We also discuss the role of the Kondo peak in defining the behavior of the spin thermopower at low temperatures.

  19. Turbulent and neoclassical impurity transport in tokamak plasmas

    SciTech Connect

    Fueloep, T.; Nordman, H.

    2009-03-15

    Impurity particle transport in tokamaks is studied using an electrostatic fluid model for main ion and impurity temperature gradient (ITG) mode and trapped electron (TE) mode turbulence in the collisionless limit and neoclassical theory. The impurity flux and impurity density peaking factor obtained from a self-consistent treatment of impurity transport are compared and contrasted with the results of the often used trace impurity approximation. Comparisons between trace and self-consistent turbulent impurity transport are performed for ITER-like profiles. It is shown that for small impurity concentrations the trace impurity limit is adequate if the plasma is dominated by ITG turbulence. However, in case of TE mode dominated plasmas the contribution from impurity modes may be significant, and therefore a self-consistent treatment may be needed.

  20. 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

  1. 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

  2. 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.

  3. On moments-based Heisenberg inequalities

    NASA Astrophysics Data System (ADS)

    Zozor, Steeve; Portesi, Mariela; Sanchez-Moreno, Pablo; Dehesa, Jesus S.

    2011-03-01

    In this paper we revisit the quantitative formulation of the Heisenberg uncertainty principle. The primary version of this principle establishes the impossibility of refined simultaneous measurement of position x and momentum u for a (1-dimensional) quantum particle in terms of variances: <‖x‖2><‖u‖2>⩾1/4. Since this inequality applies provided each variance exists, some authors proposed entropic versions of this principle as an alternative (employing Shannon's or Rényi's entropies). As another alternative, we consider moments-based formulations and show that inequalities involving moments of orders other than 2 can be found. Our procedure is based on the Rényi entropic versions of the Heisenberg relation together with the search for the maximal entropy under statistical moments' constraints (<‖x‖a> and <‖u‖b>). Our result improves a relation proposed very recently by Dehesa et al.. [1] where the same approach was used but starting with the Shannon version of the entropic uncertainty relation. Furthermore, we show that when a =b, the best bound we can find with our approach coincides with that of Ref. [1] and, in addition, for a = b = 2 the variance-based Heisenberg relation is recovered. Finally, we illustrate our results in the cases of d-dimensional hydrogenic systems.

  4. Renormalization group flow of the Luttinger-Ward functional: Conserving approximations and application to the Anderson impurity model

    NASA Astrophysics Data System (ADS)

    Rentrop, J. F.; Meden, V.; Jakobs, S. G.

    2016-05-01

    We study the renormalization group flow of the Luttinger-Ward functional and of its two-particle-irreducible vertex functions, given a cutoff in the two-particle interaction. We derive a conserving approximation to the flow and relate it to the fluctuation exchange approximation as well as to nonconserving approximations introduced in an earlier publication [J. F. Rentrop, S. G. Jakobs, and V. Meden, J. Phys. A: Math. Theor. 48, 145002 (2015), 10.1088/1751-8113/48/14/145002]. We apply the different approximate flow equations to the single-impurity Anderson model in thermal equilibrium at vanishing temperature. Numerical results for the effective mass, the spin susceptibility, the charge susceptibility, and the linear conductance reflect the similarity of the methods to the fluctuation exchange approximation. We find the majority of the approximations to deviate stronger from the exact results than one-particle-irreducible functional renormalization group schemes. However, we identify a simple static two-particle-irreducible flow scheme which performs remarkably well and produces an exponential Kondo-like scale in the renormalized level position.

  5. Even-odd effect in short antiferromagnetic Heisenberg chains

    NASA Astrophysics Data System (ADS)

    Machens, A.; Konstantinidis, N. P.; Waldmann, O.; Schneider, I.; Eggert, S.

    2013-04-01

    Motivated by recent experiments on chemically synthesized magnetic molecular chains, we investigate the lowest-lying energy band of short spin-s antiferromagnetic Heisenberg chains focusing on effects of open boundaries. By numerical diagonalization we find that the Landé pattern in the energy levels, i.e., E(S)∝S(S+1) for total spin S, known from, e.g., ring-shaped nanomagnets, can be recovered in odd-membered chains, while strong deviations are found for the lowest excitations in chains with an even number of sites. This particular even-odd effect in the short Heisenberg chains cannot be explained by simple effective Hamiltonians and symmetry arguments. We go beyond these approaches, taking into account quantum fluctuations by means of a path-integral description and the valence bond basis, but the resulting quantum edge-spin picture which is known to work well for long chains does not agree with the numerical results for short chains and cannot explain the even-odd effect. Instead, by analyzing also the classical chain model, we show that spatial fluctuations dominate the physical behavior in short chains, with length N≲eπs, for any spin s. Such short chains are found to display a unique behavior, which is not related to the thermodynamic limit and cannot be described well by theories developed for this regime.

  6. 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

  7. 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.

  8. 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

  9. 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.

  10. 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.