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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. 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.

  16. 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.

  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

    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

  4. 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.

  5. 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.

  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. 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.

  10. 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 .

  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. 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.

  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. 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.

  1. 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.

  2. 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.

  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. 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.

  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. 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.

  14. 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.

  15. 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.

  16. 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.

  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. 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.

  12. 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).

  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. 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.

  6. 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.

  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. 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.

  9. 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.

  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. 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.

  17. 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.

  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. 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

  2. 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.

  3. 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.

  4. 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.

  5. 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

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

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

  4. 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.

  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.

    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

  12. 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.

  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. 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.

  17. 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.

  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. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  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. 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.

  13. 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.

  14. 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.

  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. 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.

  7. 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.}

  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. 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?

  6. 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)

  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. 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

  16. 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.

  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

    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.

  2. 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

  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.

  11. A tensor product state approach to spin-1/2 square J1-J2 antiferromagnetic Heisenberg model: evidence for deconfined quantum criticality

    NASA Astrophysics Data System (ADS)

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

    We study this model using the cluster update algorithm for tensor product states (TPSs). We find that the ground state energies at finite sizes and in the thermodynamic limit are in good agreement with the exact diagonalization study. At the largest bond dimension available D = 9 and through finite size scaling of the magnetization order near the transition point, we accurately determine the critical point J2c1 = 0 . 53 (1) J1 and the critical exponents β = 0 . 50 (4) . In the intermediate region we find a paramagnetic ground state without any static valence bond solid (VBS) order, supported by an exponentially decaying spin-spin correlation while a power law decaying dimer-dimer correlation. By fitting a universal scaling function for the spin-spin correlation we find the critical exponents ν = 0 . 68 (3) and ηs = 0 . 34 (6) , which is very close to the observed critical exponents for deconfined quantum critical point (DQCP) in other systems. Thus our numerical results strongly suggest a Landau forbidden phase transition from Neel order to VBS order at J2c1 = 0 . 53 (1) J1 . This project is supported by the EU Strep project QUEVADIS, the ERC Grant QUERG, and the FWF SFB Grants FoQuS and ViCoM; and the Institute for Quantum Information and Matter.

  12. Local Spin Relaxation within the Random Heisenberg Chain

    NASA Astrophysics Data System (ADS)

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

    2013-10-01

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

  13. Zero temperature phase transitions in quantum Heisenberg ferromagnets

    SciTech Connect

    Sachdev, S.; Senthil, T.

    1996-10-01

    The purpose of this work is to understand the zero temperature phases and the phase transitions of Heisenberg spin systems which can have an extensive, spontaneous magnetic moment, this entails a study of quantum transitions with an order parameter which is also a non-abelian conserved charge. To this end, we introduce and study a new class of lattice models of quantum rotors. We compute their mean-field phase diagrams and present continuum, quantum field-theoretic descriptions of their low energy properties in different regimes. We argue that, in spatial dimension {ital d}=1, the phase transitions in itinerant Fermi systems are in the same universality class as the corresponding transitions in certain rotor models. We discuss implications of our results for itinerant fermions systems in higher {ital d} and for other physical systems. Copyright {copyright} 1996 Academic Press, Inc.

  14. Impurity Extraction by Droplets

    NASA Technical Reports Server (NTRS)

    Morrison, G.; Kincaid, J. M.

    1985-01-01

    The goals are to model and to measure the phase equilibrium properties of a finely divided fluid containing a large number of chemically similar species. The objective is to develop an accurate, usable model for such phenomena as pollutant extraction of rain clouds, industrial separation in spray towers, and separation in emulsions. The project was designed as a hierarchy of complementary theoretical and experimental steps. A theory was developed to describe the segregation of complex impurities at the interface of a solvent. This phenomenon is important in phase behavior when a large fraction of molecules in a material are near an interface, the situation in a finely divided material. The theory will be modified to account for the effect of surface curvature on the surface tension. The study of mixtures differs from pure fluids not only because of the surface effects but also because composition differences between the droplet and the surrounding vapor can stabilize a droplet with respect to a bulk phase.

  15. Heisenberg algebra, umbral calculus and orthogonal polynomials

    SciTech Connect

    Dattoli, G.; Levi, D.; Winternitz, P.

    2008-05-15

    Umbral calculus can be viewed as an abstract theory of the Heisenberg commutation relation [P,M]=1. In ordinary quantum mechanics, P is the derivative and M the coordinate operator. Here, we shall realize P as a second order differential operator and M as a first order integral one. We show that this makes it possible to solve large classes of differential and integrodifferential equations and to introduce new classes of orthogonal polynomials, related to Laguerre polynomials. These polynomials are particularly well suited for describing the so-called flatenned beams in laser theory.

  16. Generalized Weyl-Heisenberg (GWH) groups

    NASA Astrophysics Data System (ADS)

    Ghaani Farashahi, Arash

    2014-09-01

    Let be a locally compact group, be a locally compact Abelian (LCA) group, be a continuous homomorphism, and let be the semi-direct product of and with respect to the continuous homomorphism . In this article, we introduce the Generalized Weyl-Heisenberg (GWH) group associate with the semi-direct product group . We will study basic properties of from harmonic analysis aspects. Finally, we will illustrate applications of these methods in the case of some well-known semi-direct product groups.

  17. Thermodynamic properties of Heisenberg magnetic systems

    NASA Astrophysics Data System (ADS)

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

    2014-03-01

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

  18. Frustrated 3×3 Heisenberg antiferromagnets

    NASA Astrophysics Data System (ADS)

    Moustanis, P. N.

    2016-08-01

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

  19. Heisenberg groups and noncommutative fluxes

    SciTech Connect

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

    2007-01-15

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

  20. Heisenberg groups and noncommutative fluxes

    NASA Astrophysics Data System (ADS)

    Freed, Daniel S.; Moore, Gregory W.; Segal, Graeme

    2007-01-01

    We develop a group-theoretical approach to the formulation of generalized abelian gauge theories, such as those appearing in string theory and M-theory. We explore several applications of this approach. First, we show that there is an uncertainty relation which obstructs simultaneous measurement of electric and magnetic flux when torsion fluxes are included. Next, we show how to define the Hilbert space of a self-dual field. The Hilbert space is Z2-graded and we show that, in general, self-dual theories (including the RR fields of string theory) have fermionic sectors. We indicate how rational conformal field theories associated to the two-dimensional Gaussian model generalize to (4 k + 2)-dimensional conformal field theories. When our ideas are applied to the RR fields of string theory we learn that it is impossible to measure the K-theory class of a RR field. Only the reduction modulo torsion can be measured.

  1. Theoretical analysis of impurity precipitation in nanopores in crystals. II: Kinetics of impurity cluster growth in pores

    NASA Astrophysics Data System (ADS)

    Lubov, M. N.; Kulikov, D. V.; Trushin, Yu. V.; Kurnosikov, O.

    2013-03-01

    The kinetics of the formation of impurity clusters in subsurface nanopores in crystals is studied theoretically. A physical model of precipitation of the impurity phase in nanopores in a sample with sinks of various types is developed. This model forms the basis for the calculation of the annealing kinetics of copper containing subsurface pores and cobalt impurity atoms. The optimal annealing conditions are determined in which cobalt atoms diffuse predominantly into pores and form impurity clusters in them.

  2. Quantum rms error and Heisenberg's error-disturbance relation

    NASA Astrophysics Data System (ADS)

    Busch, Paul

    2014-09-01

    Reports on experiments recently performed in Vienna [Erhard et al, Nature Phys. 8, 185 (2012)] and Toronto [Rozema et al, Phys. Rev. Lett. 109, 100404 (2012)] include claims of a violation of Heisenberg's error-disturbance relation. In contrast, a Heisenberg-type tradeoff relation for joint measurements of position and momentum has been formulated and proven in [Phys. Rev. Lett. 111, 160405 (2013)]. Here I show how the apparent conflict is resolved by a careful consideration of the quantum generalization of the notion of root-mean-square error. The claim of a violation of Heisenberg's principle is untenable as it is based on a historically wrong attribution of an incorrect relation to Heisenberg, which is in fact trivially violated. We review a new general trade-off relation for the necessary errors in approximate joint measurements of incompatible qubit observables that is in the spirit of Heisenberg's intuitions. The experiments mentioned may directly be used to test this new error inequality.

  3. Proof of Heisenberg's Error-Disturbance Relation

    NASA Astrophysics Data System (ADS)

    Busch, Paul; Lahti, Pekka; Werner, Reinhard F.

    2013-10-01

    While the slogan “no measurement without disturbance” has established itself under the name of the Heisenberg effect in the consciousness of the scientifically interested public, a precise statement of this fundamental feature of the quantum world has remained elusive, and serious attempts at rigorous formulations of it as a consequence of quantum theory have led to seemingly conflicting preliminary results. Here we show that despite recent claims to the contrary [L. Rozema et al, Phys. Rev. Lett. 109, 100404 (2012)], Heisenberg-type inequalities can be proven that describe a tradeoff between the precision of a position measurement and the necessary resulting disturbance of momentum (and vice versa). More generally, these inequalities are instances of an uncertainty relation for the imprecisions of any joint measurement of position and momentum. Measures of error and disturbance are here defined as figures of merit characteristic of measuring devices. As such they are state independent, each giving worst-case estimates across all states, in contrast to previous work that is concerned with the relationship between error and disturbance in an individual state.

  4. Proof of Heisenberg's error-disturbance relation.

    PubMed

    Busch, Paul; Lahti, Pekka; Werner, Reinhard F

    2013-10-18

    While the slogan "no measurement without disturbance" has established itself under the name of the Heisenberg effect in the consciousness of the scientifically interested public, a precise statement of this fundamental feature of the quantum world has remained elusive, and serious attempts at rigorous formulations of it as a consequence of quantum theory have led to seemingly conflicting preliminary results. Here we show that despite recent claims to the contrary [L. Rozema et al, Phys. Rev. Lett. 109, 100404 (2012)], Heisenberg-type inequalities can be proven that describe a tradeoff between the precision of a position measurement and the necessary resulting disturbance of momentum (and vice versa). More generally, these inequalities are instances of an uncertainty relation for the imprecisions of any joint measurement of position and momentum. Measures of error and disturbance are here defined as figures of merit characteristic of measuring devices. As such they are state independent, each giving worst-case estimates across all states, in contrast to previous work that is concerned with the relationship between error and disturbance in an individual state. PMID:24182239

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

    PubMed

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

    2012-01-01

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

  6. The elusive Heisenberg limit in quantum-enhanced metrology

    NASA Astrophysics Data System (ADS)

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

    2012-09-01

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

  7. The elusive Heisenberg limit in quantum-enhanced metrology

    PubMed Central

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

    2012-01-01

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

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

    DOE PAGESBeta

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

    2015-01-01

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

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

    SciTech Connect

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

    2015-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-02-01

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

  11. Effect of quenched-in nonmagnetic impurities on phase transitions in a two-dimensional antiferromagnetic three-vertex Potts model on a triangular lattice

    NASA Astrophysics Data System (ADS)

    Murtazaev, A. K.; Babaev, A. B.; Ataeva, G. Ya.

    2015-07-01

    The effect of quenched-in nonmagnetic impurities on phase transitions in a two-dimensional diluted antiferromagnetic three-vertex Potts model on a triangular lattice has been investigated using the Monte Carlo method. The systems with linear dimensions L × L = N and L = 9-144 have been considered. It has been shown using the fourth-order Binder cumulant method that the introduction of a quenched-in disorder into a spin system described by the two-dimensional antiferromagnetic Potts model leads to a change from the first-order phase transition to the second-order phase transition.

  12. Ab Initio Modeling of Thermal Barrier Coatings: Effects of Dopants and Impurities on Interface Adhesion, Diffusion and Grain Boundary Strength

    NASA Astrophysics Data System (ADS)

    Ozfidan, Asli Isil

    2011-12-01

    The aim of this thesis is to investigate the effects of additives, reactive elements and impurities, on the lifetime of thermal barrier coatings. The thesis consists of a number of studies on interface adhesion, impurity diffusion, grain boundary sliding and cleavage processes and their impact on the mechanical behaviour of grain boundaries. The effects of additives and impurity on interface adhesion were elaborated by using total energy calculations, electron localization and density of states, and by looking into the atomic separations. The results of these calculations allow the assessment of atomic level contributions to changes in the adhesive trend. Formation of new bonds across the interface is determined to improve the adhesion in reactive element(RE)-doped structures. Breaking of the cross interface bonds and sulfur(S)-oxygen(O) repulsion is found responsible for the decreased adhesion after S segregation. Interstitial and vacancy mediated S diffusion and the effects of Hf and Pt on the diffusion rate of S in bulk NiAl are studied. Hf is shown to reduce the diffusion rate, and the preferred diffusion mechanism of S and the influence of Pt are revealed to be temperature dependent. Finally, the effects of reactive elements on alumina grain boundary strength are studied. Reactive elements are shown to improve both the sliding and cleavage resistance, and the analysis of atomic separations suggest an increased ductility after the addition of quadrivalent Hf and Zr to the alumina grain boundaries.

  13. Impurity transport in trapped electron mode driven turbulence

    SciTech Connect

    Mollen, A.; Fueloep, T.; Moradi, S.; Pusztai, I.

    2013-03-15

    Trapped electron mode turbulence is studied by gyrokinetic simulations with the GYRO code and an analytical model including the effect of a poloidally varying electrostatic potential. Its impact on radial transport of high-Z trace impurities close to the core is thoroughly investigated, and the dependence of the zero-flux impurity density gradient (peaking factor) on local plasma parameters is presented. Parameters such as ion-to-electron temperature ratio, electron temperature gradient, and main species density gradient mainly affect the impurity peaking through their impact on mode characteristics. The poloidal asymmetry, the safety factor, and magnetic shear have the strongest effect on impurity peaking, and it is shown that under certain scenarios where trapped electron modes are dominant, core accumulation of high-Z impurities can be avoided. We demonstrate that accounting for the momentum conservation property of the impurity-impurity collision operator can be important for an accurate evaluation of the impurity peaking factor.

  14. Triaxially deformed relativistic point-coupling model for Λ hypernuclei: A quantitative analysis of the hyperon impurity effect on nuclear collective properties

    NASA Astrophysics Data System (ADS)

    Xue, W. X.; Yao, J. M.; Hagino, K.; Li, Z. P.; Mei, H.; Tanimura, Y.

    2015-02-01

    Background: The impurity effect of hyperons on atomic nuclei has received a renewed interest in nuclear physics since the first experimental observation of appreciable reduction of E 2 transition strength in low-lying states of the hypernucleus Λ7Li . Many more data on low-lying states of Λ hypernuclei will be measured soon for s d -shell nuclei, providing good opportunities to study the Λ impurity effect on nuclear low-energy excitations. Purpose: We carry out a quantitative analysis of the Λ hyperon impurity effect on the low-lying states of s d -shell nuclei at the beyond-mean-field level based on a relativistic point-coupling energy density functional (EDF), considering that the Λ hyperon is injected into the lowest positive-parity (Λs) and negative-parity (Λp) states. Method: We adopt a triaxially deformed relativistic mean-field (RMF) approach for hypernuclei and calculate the Λ binding energies of hypernuclei as well as the potential-energy surfaces (PESs) in the (β ,γ ) deformation plane. We also calculate the PESs for the Λ hypernuclei with good quantum numbers by using a microscopic particle rotor model (PRM) with the same relativistic EDF. The triaxially deformed RMF approach is further applied in order to determine the parameters of a five-dimensional collective Hamiltonian (5DCH) for the collective excitations of triaxially deformed core nuclei. Taking 25,27Mg Λ and Si31Λ as examples, we analyze the impurity effects of Λs and Λp on the low-lying states of the core nuclei. Results: We show that Λs increases the excitation energy of the 21+ state and decreases the E 2 transition strength from this state to the ground state by 12 %to17 % . On the other hand, Λp tends to develop pronounced energy minima with larger deformation, although it modifies the collective parameters in such a way that the collectivity of the core nucleus can be either increased or decreased. Conclusions: The quadrupole deformation significantly affects the

  15. Impurities in snowpacks.

    PubMed

    Sommerfeld, R A

    1989-04-01

    Snow can be involved in the acquisition, transport, storage and release of atmospheric impurities. Because it can store impurities for periods of time ranging from hours to millenia, it provides a medium for monitoring atmospheric impurities for a wide range of time scales.In most climates, snow is involved in the precipitation process. It can acquire atmospheric impurities either as aerosols or as gases. The aereosols can be included in the body of the snow crystals or adhered to their surfaces. Gases may be included in bubbles, particularly in the case of rime, or adsorbed on the ice surfaces. The amount of ice surface in a small storm is about 10(10) m(2).Snow on the ground can store the impurities acquired in the precipitation process and can acquire additional impurities as dry deposition. The low temperatures and the fact that ice is a solid reduces biological activity and rates of inorganic reactions. However, the assumption that there is no activity in the winter is not well found. Exchange is possible between different layers of the snow and between the snow and the atmosphere, resulting in relocation of gases and aerosols. These processes also insure that the impurities reside on the exterior surfaces of the ice particles that form the snowpack. Biological activity is possible near the ground-snow interface in most climates.The seasonal snowpack releases its impurities when it melts. Because below freezing processes relocate any internal impurities to the ice surfaces within the snowpack, the impurities are available to the first melt water. Pulses of both acidic and alkalinic impurities have been observed with the initial snow melt water. However, the monitoring of such pulses is difficult and the measurements are inconsistent.Impurities are incorporated for longer periods of time in perennial snowpacks and finally in ice fields. These can be glaciers, or, at the largest scale, continental ice sheets. Coring such ice is expensive but provides data on

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

    SciTech Connect

    Yeo Ye

    2002-12-01

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

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

    SciTech Connect

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

    2008-05-15

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

  18. Fourier optics from the perspective of the Heisenberg group

    NASA Astrophysics Data System (ADS)

    Raszillier, Hans; Schempp, Walter

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

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

    ERIC Educational Resources Information Center

    Roth, Wolff-Michael

    1993-01-01

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

  20. Whittaker modules for the twisted Heisenberg-Virasoro algebra

    SciTech Connect

    Liu Dong; Wu Yuezhu; Zhu Linsheng

    2010-02-15

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

  1. Spectroscopic studies of impurity densities and impurity transport

    NASA Astrophysics Data System (ADS)

    Behringer, K.

    1992-06-01

    Spectrometers and spectra, mainly from JET, are discussed with respect to diagnostic potential and calibration problems. Spatial scan facilities or multichord diagnostics are essential for transport investigations, and several possibilities are shown. The interpretation of spectral line radiation usually requires the availability of impurity transport codes, which calculate the ionization balance in the presence of transport, the line emissivities and the total impurity radiation. Some atomic physics prerequisites of such codes are discussed. Theoretical and experimental approaches to the transport problem are investigated using ASDEX and JET results for anomalous transport. The occasional observation of neoclassical accumulation, for example after pellet injection, is presented and respective modeling is described. Some H mode transport phenomena are mentioned.

  2. Power Radiated from ITER and CIT by Impurities

    DOE R&D Accomplishments Database

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

    1990-07-01

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

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

    PubMed

    Shadkhoo, Shahriar; Bruinsma, Robijn

    2015-09-25

    We propose that impurities in a Bose-Einstein condensate which is coupled to a transversely laser-pumped multimode cavity form an experimentally accessible and analytically tractable model system for the study of impurities solvated in correlated liquids and the breakdown of linear-response theory [corrected]. As the strength of the coupling constant between the impurity and the Bose-Einstein condensate is increased, which is possible through Feshbach resonance methods, the impurity passes from a large to a small polaron state, and then to an impurity-soliton state. This last transition marks the breakdown of linear-response theory. PMID:26451565

  4. Linear support vector regression and partial least squares chemometric models for determination of Hydrochlorothiazide and Benazepril hydrochloride in presence of related impurities: A comparative study

    NASA Astrophysics Data System (ADS)

    Naguib, Ibrahim A.; Abdelaleem, Eglal A.; Draz, Mohammed E.; Zaazaa, Hala E.

    2014-09-01

    Partial least squares regression (PLSR) and support vector regression (SVR) are two popular chemometric models that are being subjected to a comparative study in the presented work. The comparison shows their characteristics via applying them to analyze Hydrochlorothiazide (HCZ) and Benazepril hydrochloride (BZ) in presence of HCZ impurities; Chlorothiazide (CT) and Salamide (DSA) as a case study. The analysis results prove to be valid for analysis of the two active ingredients in raw materials and pharmaceutical dosage form through handling UV spectral data in range (220-350 nm). For proper analysis a 4 factor 4 level experimental design was established resulting in a training set consisting of 16 mixtures containing different ratios of interfering species. An independent test set consisting of 8 mixtures was used to validate the prediction ability of the suggested models. The results presented indicate the ability of mentioned multivariate calibration models to analyze HCZ and BZ in presence of HCZ impurities CT and DSA with high selectivity and accuracy of mean percentage recoveries of (101.01 ± 0.80) and (100.01 ± 0.87) for HCZ and BZ respectively using PLSR model and of (99.78 ± 0.80) and (99.85 ± 1.08) for HCZ and BZ respectively using SVR model. The analysis results of the dosage form were statistically compared to the reference HPLC method with no significant differences regarding accuracy and precision. SVR model gives more accurate results compared to PLSR model and show high generalization ability, however, PLSR still keeps the advantage of being fast to optimize and implement.

  5. Characterizing the Haldane phase in quasi-one-dimensional spin-1 Heisenberg antiferromagnets

    NASA Astrophysics Data System (ADS)

    Wierschem, Keola; Sengupta, Pinaki

    2014-12-01

    We review the basic properties of the Haldane phase in spin-1 Heisenberg antiferromagnetic chains, including its persistence in quasi-one-dimensional (Q1D) geometries. Using large-scale numerical simulations, we map out the phase diagram for a realistic model applicable to experimental Haldane compounds. We also investigate the effect of different chain coupling geometries and confirm a general mean-field universality of the critical coupling times the coordination number of the lattice. Inspired by recent developments in the characterization of symmetry protected topological (SPT) states, of which the Haldane phase of the spin-1 Heisenberg antiferromagnetic chain is a preeminent example, we provide direct evidence that the Q1D Haldane phase is indeed a nontrivial SPT state.

  6. Ultrashort pulses in graphene with Coulomb impurities

    NASA Astrophysics Data System (ADS)

    Konobeeva, N. N.; Belonenko, M. B.

    2016-06-01

    We have investigated the propagation of an electromagnetic field in graphene with impurities, including the two-dimensional case. The spectrum of electrons for the graphene subsystem is taken from a model that takes into account Coulomb impurities. Based on Maxwell's equations, we have obtained an effective equation for the vector potential of the electromagnetic field. It has been revealed that the pulse shape depends on free parameters.

  7. Anomalous Local Fermi Liquid in f2-Singlet Configuration: Impurity Model for Heavy-Electron System UPt3

    NASA Astrophysics Data System (ADS)

    Yotsuhashi, Satoshi; Miyake, Kazumasa; Kusunose, Hiroaki

    2016-03-01

    It is shown by the Wilson numerical renormalization group method that a strongly correlated impurity with a crystalline-electric-field singlet ground state in the f2-configuration exhibits an anomalous local Fermi liquid state in which the static magnetic susceptibility remains an uncorrelated value while the NMR relaxation rate is enhanced in proportion to the square of the mass enhancement factor. Namely, the Korringa-Shiba relation is apparently broken. This feature closely matches the anomalous behaviors observed in UPt3, i.e., the coexistence of an unenhanced value of the Knight shift due to quasiparticles contribution (the decrease across the superconducting transition) and the enhanced relaxation rate of NMR. Such an anomalous Fermi liquid behavior suggests that the Fermi liquid corrections for the susceptibility are highly anisotropic.

  8. On the equivalence of the discrete nonlinear Schrödinger equation and the discrete isotropic Heisenberg magnet

    NASA Astrophysics Data System (ADS)

    Hoffmann, Tim

    2000-01-01

    The equivalence of the discrete isotropic Heisenberg magnet (IHM) model and the discrete nonlinear Schrödinger equation (NLSE) given by Ablowitz and Ladik is shown. This is used to derive the equivalence of their discretization with the one by Izgerin and Korepin. Moreover a doubly discrete IHM is presented that is equivalent to Ablowitz' and Ladiks doubly discrete NLSE.

  9. Linear dependencies in Weyl-Heisenberg orbits

    NASA Astrophysics Data System (ADS)

    Dang, Hoan Bui; Blanchfield, Kate; Bengtsson, Ingemar; Appleby, D. M.

    2013-11-01

    Five years ago, Lane Hughston showed that some of the symmetric informationally complete positive operator valued measures (SICs) in dimension 3 coincide with the Hesse configuration (a structure well known to algebraic geometers, which arises from the torsion points of a certain elliptic curve). This connection with elliptic curves is signalled by the presence of linear dependencies among the SIC vectors. Here we look for analogous connections between SICs and algebraic geometry by performing computer searches for linear dependencies in higher dimensional SICs. We prove that linear dependencies will always emerge in Weyl-Heisenberg orbits when the fiducial vector lies in a certain subspace of an order 3 unitary matrix. This includes SICs when the dimension is divisible by 3 or equal to 8 mod 9. We examine the linear dependencies in dimension 6 in detail and show that smaller dimensional SICs are contained within this structure, potentially impacting the SIC existence problem. We extend our results to look for linear dependencies in orbits when the fiducial vector lies in an eigenspace of other elements of the Clifford group that are not order 3. Finally, we align our work with recent studies on representations of the Clifford group.

  10. Influence of magnetic shear on impurity transport

    SciTech Connect

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

    2007-05-15

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

  11. Numerical Studies of Impurities in Fusion Plasmas

    DOE R&D Accomplishments Database

    Hulse, R. A.

    1982-09-01

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

  12. Impurity induced resistivity upturns in underdoped cuprates

    NASA Astrophysics Data System (ADS)

    Das, Nabyendu; Singh, Navinder

    2016-01-01

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

  13. Impurity gettering in semiconductors

    DOEpatents

    Sopori, B.L.

    1995-06-20

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

  14. Impurity gettering in semiconductors

    DOEpatents

    Sopori, Bhushan L.

    1995-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

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

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

    PubMed

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

    2016-04-01

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

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

    DOE PAGESBeta

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

    2016-04-07

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

  18. NMR spin relaxation rates in the Heisenberg bilayer

    NASA Astrophysics Data System (ADS)

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

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

  19. Impurity control in TFTR

    SciTech Connect

    Cecchi, J.L.

    1980-06-01

    The control of impurities in TFTR will be a particularly difficult problem due to the large energy and particle fluxes expected in the device. As part of the TFTR Flexibility Modification (TEM) project, a program has been implemented to address this problem. Transport code simulations are used to infer an impurity limit criterion as a function of the impurity atomic number. The configurational designs of the limiters and associated protective plates are discussed along with the consideration of thermal and mechanical loads due to normal plasma operation, neutral beams, and plasma disruptions. A summary is given of the materials-related research, which has been a collaborative effort involving groups at Argonne National Laboratory, Sandia Laboratories, and Princeton Plasma Physics Laboratory. Conceptual designs are shown for getterng systems capable of regenerating absorbed tritium. Research on this topic by groups at the previously mentioned laboratories and SAES Research Laboratory is reviewed.

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

    NASA Astrophysics Data System (ADS)

    Gong, Mingyang

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

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

    SciTech Connect

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

    2006-09-15

    Radial impurity profiles of oxygen in the rebuilt reversed field pinch EXTRAP T2R [P. R. Brunsell et al., Plasma Phys. Control. Fusion 43, 1457 (2001)] have been measured with a multichannel spectrometer. Absolute ion densities for oxygen peak between 1-4x10{sup 10} cm{sup -3} for a central electron density of 1x10{sup 13} cm{sup -3}. Transport simulations with the one-dimensional transport code STRAHL with a diffusion coefficient of 20 m{sup 2} s{sup -1} yield density profiles similar to those measured. Direct measurement of the ion profile evolution during pulsed poloidal current drive suggests that the diffusion coefficient is reduced by a factor {approx}2 in the core but remains unaffected toward the edge. Core transport is not significantly affected by the radial magnetic field growth seen at the edge in discharges without feedback control. This indicates that the mode core amplitude remains the same while the mode eigenfunction increases at the edge.

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

    NASA Astrophysics Data System (ADS)

    Go, Ara; Millis, Andrew J.

    2014-03-01

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

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

    PubMed

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

    2016-05-18

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

  4. Field dependent spin transport of anisotropic Heisenberg chain

    NASA Astrophysics Data System (ADS)

    Rezania, H.

    2016-04-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  6. Overlap distributions for quantum quenches in the anisotropic Heisenberg chain

    NASA Astrophysics Data System (ADS)

    Mazza, Paolo P.; Stéphan, Jean-Marie; Canovi, Elena; Alba, Vincenzo; Brockmann, Michael; Haque, Masudul

    2016-01-01

    The dynamics after a quantum quench is determined by the weights of the initial state in the eigenspectrum of the final Hamiltonian, i.e. by the distribution of overlaps in the energy spectrum. We present an analysis of such overlap distributions for quenches of the anisotropy parameter in the one-dimensional anisotropic spin-1/2 Heisenberg model (XXZ chain). We provide an overview of the form of the overlap distribution for quenches from various initial anisotropies to various final ones, using numerical exact diagonalization. We show that if the system is prepared in the antiferromagnetic Néel state (infinite anisotropy) and released into a non-interacting setup (zero anisotropy, XX point) only a small fraction of the final eigenstates gives contributions to the post-quench dynamics, and that these eigenstates have identical overlap magnitudes. We derive expressions for the overlaps, and present the selection rules that determine the final eigenstates having nonzero overlap. We use these results to derive concise expressions for time-dependent quantities (Loschmidt echo, longitudinal and transverse correlators) after the quench. We use perturbative analyses to understand the overlap distribution for quenches from infinite to small nonzero anisotropies, and for quenches from large to zero anisotropy.

  7. Oxygen impurity radiation from Tokamak-like plasmas

    NASA Technical Reports Server (NTRS)

    Rogerson, J. E.; Davis, J.; Jacobs, V. L.

    1977-01-01

    We have constructed a nonhydrodynamic coronal model for calculating radiation from impurity atoms in a heated plasma. Some recent developments in the calculation of dielectronic recombination rate coefficients and collisional excitation rate coefficients are included. The model is applied to oxygen impurity radiation during the first few milliseconds of a TFR Tokamak plasma discharge, and good agreement with experimental results is obtained. Estimates of total line and continuum radiation from the oxygen impurity are given. It is shown that impurity radiation represents a considerable energy loss.

  8. Quantum impurities: from mobile Josephson junctions to depletons

    NASA Astrophysics Data System (ADS)

    Schecter, Michael; Gangardt, Dimitri M.; Kamenev, Alex

    2016-06-01

    We overview the main features of mobile impurities moving in one-dimensional superfluid backgrounds by modeling it as a mobile Josephson junction, which leads naturally to the periodic dispersion of the impurity. The dissipation processes, such as radiative friction and quantum viscosity, are shown to result from the interaction of the collective phase difference with the background phonons. We develop a more realistic depleton model of an impurity-hole bound state that provides a number of exact results interpolating between the semiclassical weakly interacting picture and the strongly interacting Tonks–Girardeau regime. We also discuss the physics of a trapped impurity, relevant to current experiments with ultra cold atoms.

  9. Modelling of surface roughness effects on impurity erosion and deposition in TEXTOR with a code package SURO/ERO/SDPIC

    NASA Astrophysics Data System (ADS)

    Dai, Shuyu; Kirschner, A.; Sun, Jizhong; Tskhakaya, D.; Wang, Dezhen

    2014-12-01

    The roughness-induced uneven erosion-deposition behaviour is widely observed on plasma-wetted surfaces in tokamaks. The three-dimensional (3D) angular distribution of background plasma and impurities is expected to have an impact on the local erosion-deposition characteristic on rough surfaces. The investigations of 13C deposition on rough surfaces in TEXTOR experiments have been re-visited by 3D treatment of surface morphology to evaluate the effect of 3D angular distribution and its connection with surface topography by the code package SURO/ERO/SDPIC. The simulation results show that the erosion/deposition patterns and evolution of surface topography are strongly affected by the azimuthal direction of incident flux. A reduced aspect ratio of rough surface leads to an increase in 13C deposition due to the enhanced trapping ability at surface recessions. The shadowing effect of rough surface has been revealed based on the relationship between 3D incident direction and surface topography properties. The more realistic surface structures used by 3D SURO can well reproduce the experimental results of the increase in the 13C deposition efficiency by a factor of 3-5 on a rough surface compared with a smooth one. The influence of sheath electric field on the local impact angle and resulting 13C deposition has been studied, which indicates that the difference in 13C deposition caused by sheath electric field can be alleviated by the use of more realistic surface structures. The difference in 13C deposition on smooth graphite and tungsten substrates has been specified by consideration of effects of kinetic reflection, enhanced physical sputtering and nucleation.

  10. Anderson metal-insulator transitions with classical magnetic impurities

    NASA Astrophysics Data System (ADS)

    Jung, Daniel; Kettemann, Stefan; Slevin, Keith

    2016-04-01

    We study numerically the effects of classical magnetic impurities on the Anderson metal-insulator transition. We find that a small concentration of Heisenberg impurities enhances the critical disorder amplitude Wc with increasing exchange coupling strength J . The resulting scaling with J is analyzed which supports an anomalous scaling prediction by Wegner due to the combined breaking of time-reversal and spin-rotational symmetry. Moreover, we find that the presence of magnetic impurities lowers the critical correlation length exponent ν and enhances the multifractality parameter α0. The new value of ν improves the agreement with the value measured in experiments on the metal-insulator transition (MIT) in doped semiconductors like phosphor-doped silicon, where a finite density of magnetic moments is known to exist in the vicinity of the MIT. The results are obtained by a finite-size scaling analysis of the geometric mean of the local density of states which is calculated by means of the kernel polynomial method. We establish this combination of numerical techniques as a method to obtain critical properties of disordered systems quantitatively.

  11. Anderson metal-insulator transitions with classical magnetic impurities

    SciTech Connect

    Jung, Daniel; Kettemann, Stefan

    2014-08-20

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

  12. Anderson metal-insulator transitions with classical magnetic impurities

    NASA Astrophysics Data System (ADS)

    Jung, Daniel; Kettemann, Stefan

    2014-08-01

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

  13. Quantum computing with quantum dots using the Heisenberg exchange interaction

    NASA Astrophysics Data System (ADS)

    Dewaele, Nick J.

    One of the most promising systems for creating a working quantum computer is the triple quantum dots in a linear semiconductor. One of the biggest advantages is that we are able to perform Heisenberg exchange gates on the physical qubits. These exchanges are both fast and relatively low energy. Which means that they would be excellent for producing fast and accurate operations. In order to prevent leakage errors we use a 3 qubit DFS to encode a logical qubit. Here we determine the theoretical time dependent affects of applying the Heisenberg exchange gates in the DFS basis as well as the effect of applying multiple exchange gates at the same time. we also find that applying two heisenberg exchange gates at the same time is an effective way of implementing a leakage elimination operator.

  14. Stark effect of hydrogenic impurities in a quantum box

    NASA Astrophysics Data System (ADS)

    del Castillo-Mussot, Marcelo; Vazquez, Gerardo J.; Mendoza, Carlos I.; Spector, Harold N.

    2004-03-01

    We extend the model of a cubic quantum box proposed by Ribeiro and Latge to carry out a variational calculation of the bindingenergy of impurities in such a structure as function of anelectric field.The binding energy of the impurities increases with the electric field. In addition, the electric field splits the energy of impurities on the faces of the box which are equivalent in the absence of the electric field.

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

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

  16. Strong Coulomb effects in hole-doped Heisenberg chains

    NASA Astrophysics Data System (ADS)

    Schnack, J.

    2005-06-01

    Substances such as the “telephone number compound” Sr14Cu24O41 are intrinsically hole-doped. The involved interplay of spin and charge dynamics is a challenge for theory. In this article we propose to describe hole-doped Heisenberg spin rings by means of complete numerical diagonalization of a Heisenberg Hamiltonian that depends parametrically on hole positions and includes the screened Coulomb interaction among the holes. It is demonstrated that key observables like magnetic susceptibility, specific heat, and inelastic neutron scattering cross section depend sensitively on the dielectric constant of the screened Coulomb potential.

  17. A survey of algebraic actions of the discrete Heisenberg group

    NASA Astrophysics Data System (ADS)

    Lind, D.; Schmidt, K.

    2015-08-01

    The study of actions of countable groups by automorphisms of compact Abelian groups has recently undergone intensive development, revealing deep connections with operator algebras and other areas. The discrete Heisenberg group is the simplest non-commutative example, where dynamical phenomena related to its non-commutativity already illustrate many of these connections. The explicit structure of this group means that these phenomena have concrete descriptions, which are not only instances of the general theory but are also testing grounds for further work. This paper surveys what is known about such actions of the discrete Heisenberg group, providing numerous examples and emphasizing many of the open problems that remain. Bibliography: 71 titles.

  18. Tight-Binding Description of Impurity States in Semiconductors

    ERIC Educational Resources Information Center

    Dominguez-Adame, F.

    2012-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-01-01

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

  20. Mapping between the Heisenberg XX Spin Chain and Low-Energy QCD

    NASA Astrophysics Data System (ADS)

    Pérez-García, David; Tierz, Miguel

    2014-04-01

    By using random matrix models, we uncover a connection between the low-energy sector of four-dimensional QCD at finite volume and the Heisenberg XX model in a 1D spin chain. This connection allows us to relate crucial properties of QCD with physically meaningful properties of the spin chain, establishing a dictionary between both worlds. For the spin chain, we predict a third-order phase transition and a Tracy-Widom law in the transition region. We also comment on possible numerical implications of the connection as well as on possible experimental implementations.

  1. Testing the capability of a polynomial-modified gaussian model in the description and simulation of chromatographic peaks of amlodipine and its impurity in ion-interaction chromatography.

    PubMed

    Colović, Jelena; Vemić, Ana; Kostić, Nađa; Malenović, Anđelija; Medenica, Mirjana

    2014-07-01

    In this paper, the capability of a polynomial-modified Gaussian model to relate the peak shape of basic analytes, amlodipine, and its impurity A, with the change of chromatographic conditions was tested. For the accurate simulation of real chromatographic peaks the authors proposed the three-step procedure based on indirect modeling of peak width at 10% of peak height (W0.1), individual values of left-half width (A) and right-half width (B), number of theoretical plates (N), and tailing factor (Tf). The values of retention factors corresponding to the peak beginning (k(B)), peak apex (k(A)), peak ending (k(E)), and peak heights (H0) of the analytes were directly modeled. Then, the investigated experimental domain was divided to acquire a grid of appropriate density, which allowed the subsequent calculation of W0.1, A, B, N, and Tf. On the basis of the predicted results for Tf and N, as well as the defined criteria for the simulation the following conditions were selected: 33% acetonitrile/67% aqueous phase (55 mM perchloric acid, pH 2.2) at 40°C column temperature. Perfect agreement between predicted and experimental values was obtained confirming the ability of polynomial modified Gaussian model and three-step procedure to successfully simulate the real chromatograms in ion-interaction chromatography. PMID:24798430

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

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

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

  3. The physics of Kondo impurities in graphene.

    PubMed

    Fritz, Lars; Vojta, Matthias

    2013-03-01

    This article summarizes our understanding of the Kondo effect in graphene, primarily from a theoretical perspective. We shall describe different ways to create magnetic moments in graphene, either by adatom deposition or via defects. For dilute moments, the theoretical description is in terms of effective Anderson or Kondo impurity models coupled to graphene's Dirac electrons. We shall discuss in detail the physics of these models, including their quantum phase transitions and the effect of carrier doping, and confront this with existing experimental data. Finally, we will point out connections to other quantum impurity problems, e.g., in unconventional superconductors, topological insulators, and quantum spin liquids. PMID:23411583

  4. The physics of Kondo impurities in graphene

    NASA Astrophysics Data System (ADS)

    Fritz, Lars; Vojta, Matthias

    2013-03-01

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

  5. Numerical Simulation of mobile BEC-impurity interaction

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  6. Systoles on Heisenberg groups with Carnot-Caratheodory metrics

    SciTech Connect

    Dontsov, V V

    2001-04-30

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

  7. Spin-1 Heisenberg ferromagnet using pair approximation method

    NASA Astrophysics Data System (ADS)

    Mert, Murat; Kılıç, Ahmet; Mert, Gülistan

    2016-06-01

    Thermodynamic properties for Heisenberg ferromagnet with spin-1 on the simple cubic lattice have been calculated using pair approximation method. We introduce the single-ion anisotropy and the next-nearest-neighbor exchange interaction. We found that for negative single-ion anisotropy parameter, the internal energy is positive and heat capacity has two peaks.

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

    NASA Technical Reports Server (NTRS)

    Flax, L.

    1972-01-01

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

  9. Antiferromagnetic Heisenberg Spin Chain of a Few Cold Atoms in a One-Dimensional Trap

    NASA Astrophysics Data System (ADS)

    Murmann, S.; Deuretzbacher, F.; Zürn, G.; Bjerlin, J.; Reimann, S. M.; Santos, L.; Lompe, T.; Jochim, S.

    2015-11-01

    We report on the deterministic preparation of antiferromagnetic Heisenberg spin chains consisting of up to four fermionic atoms in a one-dimensional trap. These chains are stabilized by strong repulsive interactions between the two spin components without the need for an external periodic potential. We independently characterize the spin configuration of the chains by measuring the spin orientation of the outermost particle in the trap and by projecting the spatial wave function of one spin component on single-particle trap levels. Our results are in good agreement with a spin-chain model for fermionized particles and with numerically exact diagonalizations of the full few-fermion system.

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

    NASA Astrophysics Data System (ADS)

    Leidl, R.; Selke, W.

    2004-11-01

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

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

    NASA Astrophysics Data System (ADS)

    Aoyama, Kazushi; Kawamura, Hikaru

    2016-06-01

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

  12. Quasiparticle interference from magnetic impurities

    NASA Astrophysics Data System (ADS)

    Derry, Philip G.; Mitchell, Andrew K.; Logan, David E.

    2015-07-01

    Fourier transform scanning tunneling spectroscopy (FT-STS) measures the scattering of conduction electrons from impurities and defects, giving information about the electronic structure of both the host material and adsorbed impurities. We interpret such FT-STS measurements in terms of the quasiparticle interference (QPI), here investigating in detail the QPI due to single magnetic impurities adsorbed on a range of representative nonmagnetic host surfaces, and contrasting with the case of a simple scalar impurity or point defect. We demonstrate how the electronic correlations present for magnetic impurities markedly affect the QPI, showing, e.g., a large intensity enhancement due to the Kondo effect, and universality at low temperatures/scanning energies. The commonly used joint density of states interpretation of FT-STS measurements is also considered, and shown to be insufficient in many cases, including that of magnetic impurities.

  13. Impurity profile of rifaximin produced in China.

    PubMed

    Liuchao; Maixi; Wangchao; Wan, Chunpeng

    2012-04-01

    Impurity profiles of rifaximin produced in China were investigated systematically by LCMS methods. Eleven impurities from the raw materials of rifaximin produced in China were detected. We adopted the Diagnostic fragment-ion-based extension strategy (DFIBES) for deducing the structure of unknown impurities. Impurity 1 was the 30-hydroxylated product of rifaximin. Impurity 2 was the 25-deacetyled rifaximin. Impurity 6 was the isomeride of rifaximin. Impurity 9 was rifamycin-O. PMID:22570932

  14. The Effect of Impurities on Firn Layering

    NASA Astrophysics Data System (ADS)

    Keegan, K. M.; Baker, I.; Albert, M. R.

    2013-12-01

    Recently, there has been increased interest in incorporating firn layering into firn densification models, and a correlation between impurities and density differences in firn layering has been described. Measuring the stratigraphy from firn cores is a tedious process, but a chemical proxy for firn layering would be an easy way to incorporate layering into the existing firn models. To explore the correlation of chemical impurities in firn, we collected Raman spectra from samples of a NEEM 2009 firn core using a confocal scanning optical microscope with a Raman spectrometer. We found sulfuric acid (H2SO4), calcium carbonate (CaCO3), gypsum (CaSO4*2H2O), hydroxyl herderite (CaBePO4(OH)), and sodium chloride (NaCl) in the firn with a greater concentration of these impurities at the grain boundaries and triple junctions. We will discuss the effects of these impurities on the firn densification processes, as well as the potential for a proxy of layering in firn densification models.

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

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

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

  17. A second species of spinons in the S=1/2 Heisenberg antiferromagnet on kagome

    NASA Astrophysics Data System (ADS)

    Mellado, Paula; Hao, Zhihao; Tchernyshyov, Oleg

    2010-03-01

    The S=1/2 Heisenberg model on kagome can be viewed as an ensemble of spinons, fermionic quasiparticles with S=1/2 bound into small, heavy pairs whose binding energy sets the spin gap [1]. The apparent lack of a spin gap in real kagome magnets (e.g. herbertsmithite) may be associated with the Dzyaloshinskii-Moriya (DM) term D .(SixSj) in the Hamiltonian allowed by lattice symmetry. The DM term suppresses the spin gap and eventually induces long-range magnetic order [2]. A recent study [3] hints at the presence of an intermediate gapless phase without magnetic order. We propose that this phase arises as a result of condensation of a second spinon species (kinks). Here we study the motion of a single kink on the Husimi cactus, the analog of kagome in a hyperbolic plane. The kink is localized in the pure Heisenberg model and becomes mobile when D !=0. We calculate the one-particle density of states and the bandwidth. [1] Z. Hao and O. Tchernyshyov, Phys. Rev. Lett. 103, 187203 (2009). [2] O. C'epas et al., Phys. Rev. B 78, 140405 (2008). [3] I. Rousochatzakis et al., Phys. Rev. B 79, 214415 (2009).

  18. Ternary Z3 -graded generalization of Heisenberg's algebra

    NASA Astrophysics Data System (ADS)

    Kerner, Richard

    2015-04-01

    We investigate a ternary, Z3-graded generalization of the Heisenberg algebra. It turns out that introducing a non-trivial cubic root of unity, j = e 2πi/3, 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. A cubic analogue of Hamiltonian operator is constructed by analogy with the usual harmonic oscillator. A set of eigenstates in coordinate representation is constructed in terms of functions satisfying linear differential equation of third order.

  19. Investigation of non-Hermitian Hamiltonians in the Heisenberg picture

    NASA Astrophysics Data System (ADS)

    Miao, Yan-Gang; Xu, Zhen-Ming

    2016-05-01

    The Heisenberg picture for non-Hermitian but η-pseudo-Hermitian Hamiltonian systems is suggested. If a non-Hermitian but η-pseudo-Hermitian Hamiltonian leads to real second order equations of motion, though their first order Heisenberg equations of motion are complex, we can construct a Hermitian counterpart that gives the same second order equations of motion. In terms of a similarity transformation we verify the iso-spectral property of the Hermitian and non-Hermitian Hamiltonians and obtain the related eigenfunctions. This feature can be used to determine real eigenvalues for such non-Hermitian Hamiltonian systems. As an application, two new non-Hermitian Hamiltonians are constructed and investigated, where one is non-Hermitian and non-PT-symmetric and the other is non-Hermitian but PT-symmetric. Moreover, the complementarity and compatibility between our treatment and the PT symmetry are discussed.

  20. Euler-Heisenberg-Weiss action for QCD +QED

    NASA Astrophysics Data System (ADS)

    Ozaki, Sho; Arai, Takashi; Hattori, Koichi; Itakura, Kazunori

    2015-07-01

    We derive an analytic expression for one-loop effective action of QCD +QED at zero and finite temperatures by using the Schwinger proper time method. The result is a nonlinear effective action not only for electromagnetic and chromo-electromagnetic fields but also for the Polyakov loop, and thus reproduces the Euler-Heisenberg action in QED, QCD, and QED +QCD , and also the Weiss potential for the Polyakov loop at finite temperature. As applications of this "Euler-Heisenberg-Weiss" action in QCD +QED , we investigate quark pair productions induced by QCD +QED fields at zero temperature and the Polyakov loop in the presence of strong electromagnetic fields. Quark one-loop contribution to the effective potential of the Polyakov loop explicitly breaks the center symmetry, and is found to be enhanced by the magnetic field, which is consistent with the inverse magnetic catalysis observed in lattice QCD simulation.

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

    SciTech Connect

    Zhang, Guo-Feng

    2007-03-15

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

  2. Precipitation of iron, sodium, and potassium impurities from synthetic solutions modeling spent acid streams from a chemical coal cleaning process

    SciTech Connect

    Norton, G.A.; Richardson, R.G.; Markuszewski, R. ); Levine, A.D. . Dept. of Civil Engineering)

    1990-01-01

    This paper presents experiments on treating model spent acid streams from a chemical coal cleaning process by double salt precipitation which indicated that simple heating of solutions containing Fe{sub 2}(SO{sub 4}){sub 3}, Na{sub 2}SO{sub 4}, and K{sub 2}SO{sub 4} caused jarosite (KFe{sub 3}(SO{sub 4}){sub 2}(OH){sub 6}) to form preferentially to natrojarosite (NaFe{sub 3}(SO{sub 4}){sub 2}(OH){sub 6}), and precipitate yields were higher than when Na{sub 2}SO{sub 4} was the only alkali sulfate present. Virtually all of the K, about 90% of the Fe, and about 30% of the SO{sub 4}{sup 2 {minus}} could be precipitated at 95{degrees}C, while little or no Na was removed. However, simply heating Fe{sub 2}(SO{sub 4}){sub 3}/Na{sub 2}SO{sub 4} solution up to 95{degrees}C for {lt}12 hours did not produce adequate precipitate yields. When Na was the only alkali metal present, the Fe concentration in the solution had to be increased to avoid formation of undesirable iron compounds.

  3. Impurity transport due to electromagnetic drift wave turbulence

    NASA Astrophysics Data System (ADS)

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

    2012-03-01

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

  4. The impurity of radioiodinated triolein

    PubMed Central

    Kennedy, J. A.; Kinloch, J. D.

    1964-01-01

    Commercially supplied radioiodinated triolein has been shown by thin-layer chromatography and silicic acid column chromatography to contain impurities, consisting mainly of diglycerides and monoglycerides, but also a small amount of free fatty acid. The effect of these impurities on the radioiodinated triolein absorption test requires further investigation. Images PMID:14149942

  5. Numerical investigation of the role of topological defects in the three-dimensional Heisenberg transition

    NASA Astrophysics Data System (ADS)

    Lau, Man-Hot; Dasgupta, Chandan

    1989-04-01

    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 the paramagnetic phase to occur.

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

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

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

    SciTech Connect

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

    2009-01-15

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

  8. Quantum lattice fluctuations in a frustrated Heisenberg spin-Peierls chain

    NASA Astrophysics Data System (ADS)

    Weiße, A.; Wellein, G.; Fehske, H.

    1999-09-01

    As a simple model for spin-Peierls systems we study a frustrated Heisenberg chain coupled to optical phonons. In view of the anorganic spin-Peierls compound CuGeO3 we consider two different mechanisms of spin-phonon coupling. Combining variational concepts in the adiabatic regime and perturbation theory in the antiadiabatic regime we derive effective spin Hamiltonians which cover the dynamical effect of phonons in an approximate way. Ground-state phase diagrams of these models are determined, and the effect of frustration is discussed. Comparing the properties of the ground state and low-lying excitations with exact diagonalization data for the full quantum spin-phonon models, good agreement is found especially in the antiadiabatic regime.

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

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

  10. Mobile impurities in ferromagnetic liquids

    NASA Astrophysics Data System (ADS)

    Kantian, Adrian; Schollwoeck, Ulrich; Giamarchi, Thierry

    2011-03-01

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

  11. Magnetic properties of copper pyrazine bridged quasi two dimensional quantum Heisenberg antiferromagnetic (QHAF) compounds

    NASA Astrophysics Data System (ADS)

    Xiao, Fan

    The magnetic properties of a family of molecular-based quasi-two-dimensional S=1/2 Heisenberg antiferromagnets (2D QHAF) are studied. Three compounds, Cu(pz)2 (ClO4)2, Cu(pz)2(BF 4)2, and [Cu(pz)2(NO3)](PF6) contain similar planes of Cu2+ ions linked into magnetically square lattices by bridging pyrazine molecules (pz =C4H4N 2). The anions provide charge balance as well as isolation between the layers. Low field single crystal measurements of susceptibility and magnetization reveal low ratios of Neel temperatures to exchange strengths (4.25/17.5 = 0.243, 3.80/15.3 = 0.248, and 3.05/10.8 = 0.282, respectively) while the ratio of the anisotropy fields HA(kOe) to the saturation field HSAT(kOe) are small (2.6/490 = 5.3x10-3, 2.4/430 = 5.5x10-3, and 0.07/300 = 2.3x10-4, respectively), demonstrating close approximations to a two-dimensional Heisenberg model. The susceptibilities of Cu(pz)2(ClO4)2 and Cu(pz)2(BF4)2 show evidence of a spin crossover (Heisenberg to XY) at low temperatures; their zero-field ordering transitions are primarily driven by the XY behavior with the ultimate three-dimensional transition appearing parasitically. The [Cu(pz)2(NO 3)](PF6) compound remains Heisenberg-like at all temperatures, with its transition to the Neel state due to the inter- layer interactions. High field single crystal measurements of Cu(pz)2(ClO 4)2 indicates that both spin crossover transition temperature and ordering temperature increase as the external field increases up to 5 T. The results suggests a field-induced XY anisotropy is produced by the external field and the ordering temperature vs field follows a Berezinskii-Kosterlitz-Thouless (BKT)-like transition trend predicted by quantum Monte Carlo simulation. Calorimetry measurements were performed to verify the hypothesis with external fields up to 33 T. The results successfully confirmed our prediction. The transition temperature shows a rounded maximum at 16 T and starts dropping as the field gets stronger. The

  12. Negative compressibility observed in graphene containing resonant impurities

    SciTech Connect

    Chen, X. L.; Wang, L.; Li, W.; Wang, Y.; He, Y. H.; Wu, Z. F.; Han, Y.; Zhang, M. W.; Xiong, W.; Wang, N.

    2013-05-20

    We observed negative compressibility in monolayer graphene containing resonant impurities under different magnetic fields. Hydrogenous impurities were introduced into graphene by electron beam (e-beam) irradiation. Resonant states located in the energy region of {+-}0.04 eV around the charge neutrality point were probed in e-beam-irradiated graphene capacitors. Theoretical results based on tight-binding and Lifshitz models agreed well with experimental observations of graphene containing a low concentration of resonant impurities. The interaction between resonant states and Landau levels was detected by varying the applied magnetic field. The interaction mechanisms and enhancement of the negative compressibility in disordered graphene are discussed.

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

    SciTech Connect

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

    2009-06-23

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

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

    SciTech Connect

    Djebli, M.

    2008-09-23

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

  15. Negative compressibility observed in graphene containing resonant impurities

    NASA Astrophysics Data System (ADS)

    Chen, X. L.; Wang, L.; Li, W.; Wang, Y.; He, Y. H.; Wu, Z. F.; Han, Y.; Zhang, M. W.; Xiong, W.; Wang, N.

    2013-05-01

    We observed negative compressibility in monolayer graphene containing resonant impurities under different magnetic fields. Hydrogenous impurities were introduced into graphene by electron beam (e-beam) irradiation. Resonant states located in the energy region of ±0.04 eV around the charge neutrality point were probed in e-beam-irradiated graphene capacitors. Theoretical results based on tight-binding and Lifshitz models agreed well with experimental observations of graphene containing a low concentration of resonant impurities. The interaction between resonant states and Landau levels was detected by varying the applied magnetic field. The interaction mechanisms and enhancement of the negative compressibility in disordered graphene are discussed.

  16. Q-operators for the open Heisenberg spin chain

    NASA Astrophysics Data System (ADS)

    Frassek, Rouven; Szécsényi, István M.

    2015-12-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

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

  18. Valence bond and von Neumann entanglement entropy in Heisenberg ladders.

    PubMed

    Kallin, Ann B; González, Iván; Hastings, Matthew B; Melko, Roger G

    2009-09-11

    We present a direct comparison of the recently proposed valence bond entanglement entropy and the von Neumann entanglement entropy on spin-1/2 Heisenberg systems using quantum Monte Carlo and density-matrix renormalization group simulations. For one-dimensional chains we show that the valence bond entropy can be either less or greater than the von Neumann entropy; hence, it cannot provide a bound on the latter. On ladder geometries, simulations with up to seven legs are sufficient to indicate that the von Neumann entropy in two dimensions obeys an area law, even though the valence bond entanglement entropy has a multiplicative logarithmic correction. PMID:19792398

  19. Pair approximation method for spin-1 Heisenberg system

    NASA Astrophysics Data System (ADS)

    Mert, Murat; Kılıç, Ahmet; Mert, Gülistan

    2016-03-01

    Spin-1 Heisenberg system on simple cubic lattice is considered in the pair approximation method assuming that the second-nearest-neighbor exchange interaction parameter has a negative value. The system is described in presence of an external magnetic field. The effects of the negative single-ion anisotropy and the negative second-nearest-neighbor exchange interaction on magnetization, internal energy, heat capacity, entropy and free energy are investigated. There are diverse anomalies at low temperature. In the magnetization and other thermodynamic quantities, the first-order phase transitions from ferromagnetic state to antiferromagnetic state and from ferromagnetic state to paramagnetic state have been observed.

  20. Open Heisenberg chain under boundary fields: A magnonic logic gate

    NASA Astrophysics Data System (ADS)

    Landi, Gabriel T.; Karevski, Dragi

    2015-05-01

    We study the spin transport in the quantum Heisenberg spin chain subject to boundary magnetic fields and driven out of equilibrium by Lindblad dissipators. An exact solution is given in terms of matrix product states, which allows us to calculate exactly the spin current for any chain size. It is found that the system undergoes a discontinuous spin-valve-like quantum phase transition from ballistic to subdiffusive spin current, depending on the value of the boundary fields. Thus, the chain behaves as an extremely sensitive magnonic logic gate operating with the boundary fields as the base element.

  1. Quantification of quantum discord in a antiferromagnetic Heisenberg compound

    SciTech Connect

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

    2014-04-24

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

  2. Quantum Correlations and Teleportation in Heisenberg XX Spin Chain

    NASA Astrophysics Data System (ADS)

    Qin, Wan; Guo, Jin-Liang

    2015-07-01

    We investigate the thermal quantum correlations in the Heisenberg XX spin chain, and the teleportation of a two-qubit entangled state via the spin chain is analyzed. It is found that the effects of external magnetic field and three-site interaction on the thermal entanglement and quantum discord between the nearest or the next nearest neighbor qubits behave differently in various aspects. Special attention is paid to how to enhance the quantum correlations of the output state and the average fidelity of the teleportation. We find that quantum discord gives a better performance in the quantum correlations transmission, and the three-site interaction is necessary for a successful teleportation.

  3. Quasiparticle interactions in frustrated Heisenberg chains

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

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

  4. Parallel impurity dynamics in the TJ-II stellarator

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

  5. Impurity effects on polaron-exciton formation in conjugated polymers

    SciTech Connect

    Ribeiro, Luiz Antonio Ferreira da Cunha, Wiliam; Neto de Oliveira, Pedro Henrique; Gargano, Ricardo; Magela e Silva, Geraldo

    2013-11-07

    Combining the one-dimensional tight-binding Su-Schrieffer-Heeger model and the extended Hubbard model, the collision of two oppositely charged polarons is investigated under the influence of impurity effects using a non-adiabatic evolution method. Results show that electron-electron interactions have direct influence on the charge distribution coupled to the polaron-exciton lattice defect. Additionally, the presence of an impurity in the collisional process reduces the critical electric field for the polaron-exciton formation. In the small electric field regime, the impurity effects open three channels and are of fundamental importance to favor the polaron-exciton creation. The results indicate that the scattering between polarons in the presence of impurities can throw a new light on the description of electroluminescence in conjugated polymer systems.

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

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

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

  7. Local Impurity States in Antiferromagnetic Cr-ALLOYS

    NASA Astrophysics Data System (ADS)

    Galkin, V. Yu.

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

  8. Stable transitivity of Heisenberg group extensions of hyperbolic systems

    NASA Astrophysics Data System (ADS)

    Niţică, Viorel; Török, Andrei

    2014-04-01

    We consider skew-extensions with fibre the standard real Heisenberg group { H}_n of a uniformly hyperbolic dynamical system. We show that among the Cr extensions (r > 0) that avoid an obvious obstruction, those that are topologically transitive contain an open and dense set. More precisely, we show that an { H}_n -extension is transitive if and only if the { R}^{2n} -extension given by the Abelianization of { H}_n is transitive. A new technical tool introduced in the paper, which is of independent interest, is a diophantine approximation result. We show, under general conditions, the existence of an infinite set of approximate positive integer solutions for a diophantine system of equations consisting of a quadratic indefinite form and several linear equations. The set of approximate solutions can be chosen to point in a certain direction. The direction can be chosen from a residual subset of full measure of the set of real directions solving the system of equations exactly. Another contribution of the paper, which is used in the proof of the main result, but it is also of independent interest, is the solution of the so-called semigroup problem for the Heisenberg group. We show that for a subset S\\subset { H}_n , which avoids any maximal semigroup with non-empty interior, the closure of the semigroup generated by S is actually a group.

  9. Entanglement entropy and the Berezinskii-Kosterlitz-Thouless phase transition in the J1-J2 Heisenberg chain

    NASA Astrophysics Data System (ADS)

    Li, Yan-Chao; Zhu, Yuan-Hui; Yuan, Zi-Gang

    2016-03-01

    Using the density matrix renormalization group (DMRG) technique, we study the Berezinskii-Kosterlitz-Thouless (BKT) quantum phase transition (QPT) in the J1-J2 Heisenberg chain model from the quantum entanglement point of view. It is found that the gap behavior between two neighboring two-site entanglement entropies as well as the first derivative of both the two-site entropy and the block entropy can be used as indicators for the BKT phase transition in this model. The corresponding size dependent scaling behaviors are analyzed, respectively. Our numerical results give direct evidence for the effectiveness of the entanglement in the BKT-type QPT indicating from different aspects.

  10. Equation of state and spin-correlation functions of ultrasmall classical Heisenberg magnets

    SciTech Connect

    Ciftja, O.; Luban, M.; Auslender, M.; Luscombe, J.H.

    1999-10-01

    We obtain analytical expressions for the total magnetic moment and the static spin-correlation functions of the classical Heisenberg model for ultrasmall systems of spins (unit vectors), that interact via isotropic, nearest-neighbor (n-n) exchange and that are subject to a uniform dc magnetic field of arbitrary strength. Explicit results are presented for the dimer, equilateral triangle, square, and regular tetrahedron arrays of spins. These systems provide a useful theoretical framework for calculating the magnetic properties of several recently synthesized molecular magnets. The tetrahedron as well as the equilateral triangle systems, each considered for n-n antiferromagnetic exchange, are of particular interest since they exhibit frustrated spin ordering for sufficiently low temperatures and weak magnetic fields. {copyright} {ital 1999} {ital The American Physical Society}

  11. Theory of microwave absorption by the spin-1/2 Heisenberg-Ising magnet.

    PubMed

    Brockmann, Michael; Göhmann, Frank; Karbach, Michael; Klümper, Andreas; Weisse, Alexander

    2011-07-01

    We analyze the problem of microwave absorption by the Heisenberg-Ising magnet in terms of shifted moments of the imaginary part of the dynamical susceptibility. When both the Zeeman field and the wave vector of the incident microwave are parallel to the anisotropy axis, the first four moments determine the shift of the resonance frequency and the linewidth in a situation where the frequency is varied for fixed Zeeman field. For the one-dimensional model we can calculate the moments exactly. This provides exact data for the resonance shift and the linewidth at arbitrary temperatures and magnetic fields. In current ESR experiments the Zeeman field is varied for fixed frequency. We show how in this situation the moments give perturbative results for the resonance shift and for the integrated intensity at small anisotropy as well as an explicit formula connecting the linewidth with the anisotropy parameter in the high-temperature limit. PMID:21797567

  12. Correlation functions of XX0 Heisenberg chain, q-binomial determinants, and random walks

    NASA Astrophysics Data System (ADS)

    Bogoliubov, N. M.; Malyshev, C.

    2014-02-01

    The XX0 Heisenberg model on a cyclic chain is considered. The representation of the Bethe wave functions via the Schur functions allows to apply the well-developed theory of the symmetric functions to the calculation of the thermal correlation functions. The determinantal expressions of the form-factors and of the thermal correlation functions are obtained. The q-binomial determinants enable the connection of the form-factors with the generating functions both of boxed plane partitions and of self-avoiding lattice paths. The asymptotical behavior of the thermal correlation functions is studied in the limit of low temperature provided that the characteristic parameters of the system are large enough.

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

    SciTech Connect

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

    2014-07-07

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

  14. Effect of poloidal asymmetries on impurity peaking in tokamaks

    SciTech Connect

    Mollen, A.; Pusztai, I.; Fueloep, T.; Kazakov, Ye. O.; Moradi, S.

    2012-05-15

    Poloidal impurity asymmetries are frequently observed in tokamaks. In this paper, the effect of poloidal asymmetry on electrostatic turbulent transport is studied, including the effect of the E Multiplication-Sign B drift. Collisions are modeled by a Lorentz operator, and the gyrokinetic equation is solved with a variational approach. The impurity transport is shown to be sensitive to the magnetic shear and changes sign for s Greater-Than-Or-Equivalent-To 0.5 in the presence of inboard accumulation. The zero-flux impurity density gradient (peaking factor) is shown to be rather insensitive to collisions in both ion temperature gradient and trapped electron mode driven cases. Our results suggest that the asymmetry (both the location of its maximum and its strength) and the magnetic shear are the two most important parameters that affect the impurity peaking.

  15. Impurity bubbles in a BEC

    NASA Astrophysics Data System (ADS)

    Timmermans, Eddy; Blinova, Alina; Boshier, Malcolm

    2013-05-01

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

  16. Spectroscopic measurement of impurity transport coefficients and penetration efficiencies in Alcator C-Mod plasmas

    NASA Astrophysics Data System (ADS)

    Graf, M. A.; Rice, J. E.; Terry, J. L.; Marmar, E. S.; Goetz, J. A.; McCracken, G. M.; Bombarda, F.; May, M. J.

    1995-01-01

    Impurity transport coefficients and the penetration efficiencies of intrinsic and injected impurities through the separatrix of diverted Alcator C-Mod discharges have been measured using x-ray and vacuum ultraviolet (VUV) spectroscopic diagnostics. The dominant low Z intrinsic impurity in C-Mod is carbon which is found to be present in concentrations of less than 0.5%. Molybdenum, from the plasma facing components, is the dominant high Z impurity and is typically found in concentrations of about 0.02%. Trace amounts of medium and high Z nonrecycling impurities can be injected at the midplane using the laser blow-off technique and calibrated amounts of recycling, gaseous impurities can be introduced through fast valves either at the midplane or at various locations in the divertor chamber. A five chord crystal x-ray spectrometer array with high spectral resolution is used to provide spatial profiles of high charge state impurities. An absolutely calibrated, grazing incidence VUV spectrograph with high time resolution and a broad spectral range allows for the simultaneous measurement of many impurity lines. Various filtered soft x-ray diode arrays allow for spatial reconstructions of plasma emissivity. The observed brightnesses and emissivities from a number of impurity lines are used together with the mist transport code and a collisional-radiative atomic physics model to determine charge state density profiles and impurity transport coefficients. Comparisons of the deduced impurity content with the measured Zeff and total radiated power of the plasma are made.

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

    NASA Astrophysics Data System (ADS)

    Deschner, Andreas; Sørensen, Erik S.

    2011-10-01

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

  18. Phase growth in bistable systems with impurities.

    PubMed

    Echeverria, C; Tucci, K; Cosenza, M G

    2008-01-01

    A system of coupled chaotic bistable maps on a lattice with randomly distributed impurities is investigated as a model for studying the phenomenon of phase growth in nonuniform media. The statistical properties of the system are characterized by means of the average size of spatial domains of equivalent spin variables that define the phases. It is found that the rate at which phase domains grow becomes smaller when impurities are present and that the average size of the resulting domains in the inhomogeneous state of the system decreases when the density of impurities is increased. The phase diagram showing regions where homogeneous, heterogeneous, and chessboard patterns occur on the space of parameters of the system is obtained. A critical boundary that separates the regime of slow growth of domains from the regime of fast growth in the heterogeneous region of the phase diagram is calculated. The transition between these two growth regimes is explained in terms of the stability properties of the local phase configurations. Our results show that the inclusion of spatial inhomogeneities can be used as a control mechanism for the size and growth velocity of phase domains forming in spatiotemporal systems. PMID:18351923

  19. Combining impurity X-ray and impurity density measurements to determine Zeff

    NASA Astrophysics Data System (ADS)

    Nornberg, M. D.; Galante, M. E.; Reusch, L. M.; den Hartog, D. J.; Franz, P.; Stephens, H. D.

    2015-11-01

    Determining the resistive dissipation of hot plasmas requires knowledge of the effective charge Zeff. Typically Zeff is determined from visible bremsstrahlung emission. In limiter plasmas with relatively high core and edge neutral density, the neutrals likely contribute as much emission to the visible spectrum as do the impurities. By using sufficiently thick Be filters, detected soft x-ray emission can be limited to a region of the spectrum dominated by bremsstrahlung and impurity recombination. Modeling this emission requires good constraints on the impurity density profiles and charge state balance. This information can be supplied by charge exchange recombination measurements (CHERS). Combining these two different diagnostic measurements within a Bayesian framework enables the self-consistent determination of Zeff = 1 . 9 +/- 0 . 1 in the core of MST RFP plasmas with tearing mode suppression. This integrated data analysis (IDA) has the additional benefit of helping identify systematic uncertainties in the individual measurements and facilitates constraining the densities of other impurities for which there are no CHERS measurements. This work is supported by the US DOE.

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

    NASA Astrophysics Data System (ADS)

    Van Cong, H.

    2016-04-01

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

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

    NASA Astrophysics Data System (ADS)

    Sarswat, Prashant; Free, Michael

    2014-03-01

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

  2. ALUMINUM IMPURITY DIFFUSION IN MAGNESIUM

    SciTech Connect

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

    2012-01-01

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

  3. Singular integral operators of near-product-type on the Heisenberg group

    NASA Astrophysics Data System (ADS)

    Fraser, Andrea

    2007-03-01

    In this paper we establish Lp-boundedness (1Heisenberg group whose kernels satisfy regularity and cancellation conditions adapted to the implicit (n+1)-parameter structure. The polyradial kernels of this type arose in [A.J. Fraser, An (n+1)-fold Marcinkiewicz multiplier theorem on the Heisenberg group, Bull. Austral. Math. Soc. 63 (2001) 35-58; A.J. Fraser, Convolution kernels of (n+1)-fold Marcinkiewicz multipliers on the Heisenberg group, Bull. Austral. Math. Soc. 64 (2001) 353-376] as the convolution kernels of (n+1)-fold Marcinkiewicz-type spectral multipliers of the n-partial sub-Laplacians and the central derivative on the Heisenberg group. Thus they are in a natural way analogous to product-type Calderon-Zygmund convolution kernels on . Here, as in [A.J. Fraser, An (n+1)-fold Marcinkiewicz multiplier theorem on the Heisenberg group, Bull. Austral. Math. Soc. 63 (2001) 35-58; A.J. Fraser, Convolution kernels of (n+1)-fold Marcinkiewicz multipliers on the Heisenberg group, Bull. Austral. Math. Soc. 64 (2001) 353-376], we extend to the (n+1)-parameter setting the methods and results of Muller, Ricci, and Stein in [D. Muller, F. Ricci, E.M. Stein, Marcinkiewicz multipliers and two-parameter structures on Heisenberg groups I, Invent. Math. 119 (1995) 199-233] for the two-parameter setting and multipliers of the sub-Laplacian and the central derivative.

  4. Effect of Spin-Orbit Interaction and Input State on Quantum Discord and Teleportation of Two-Qubit Heisenberg Systems

    NASA Astrophysics Data System (ADS)

    Qin, Meng; Zhai, Xiao-Yue; Chen, Xuan; Li, Yan-Biao; Wang, Xiao; Bai, Zhong

    2012-03-01

    We study the quantum discord and teleportation of a two-qubit Heisenberg XXX chain with spin-orbit interaction. The analytical expressions of quantum discord, output state quantum discord and fidelity are obtained for this model. The classical correlation, quantum correlation and entanglement of this system depending on coupling interaction, spin-orbit interaction and temperature are investigated in detail. It is found that the quantum discord exists for the ferromagnetic case, but entanglement is zero under the same condition. We can obtain fidelity better than any classical communication protocol for the antiferromagnetic case. The robustness of quantum discord against the temperature is helpful for the realization of quantum computation.

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

    NASA Astrophysics Data System (ADS)

    Barnes, T.

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

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

    NASA Technical Reports Server (NTRS)

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

    2000-01-01

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

  7. Shallow-deep transitions of impurities in semiconductor nanostructures

    NASA Astrophysics Data System (ADS)

    Ranjan, V.; Singh, Vijay A.

    2003-03-01

    We study the hydrogenic impurity in a quantum dot (QD). We employ the effective mass theory with realistic barrier and variable effective mass. The model is simple, but it predicts features not previously observed. We observe that the shallow hydrogenic impurity becomes deeper as the dot size (R) is reduced and with further reduction of the dot size it becomes shallow and at times resonant with the conduction band. Such a shallow-deep (SHADE) transition is investigated and a critical size in terms of the impurity Bohr radius (aI*) is identified. A relevant aspect of a QD is reduction in the dielectric constant, epsilon, as its size decreases. Employing a size dependent epsilon(R), we demonstrate that the impurity level gets exceptionally deep in systems for which aI* is small. Thus, carrier "freeze out" is a distinct possibility in a wide class of materials such as ZnS, CdS, etc. The behavior of the impurity level with dot size is understood on the basis of simple scaling arguments. Calculations are presented for III-V (AlGaAs) and II-VI (ZnS, CdS) QDs. We speculate that the deepening of the impurity level is related to the high luminescence efficiency of QDs. It is suggested that quantum dots offer an opportunity for defect engineering.

  8. Shallow-deep transitions of impurities in semiconductor nanostructures

    NASA Astrophysics Data System (ADS)

    Ranjan, V.; Singh, Vijay A.

    2001-06-01

    We study the hydrogenic impurity in a quantum dot (QD). We employ the effective mass theory with realistic barrier and variable effective mass. The model is simple, but it predicts features not previously observed. We observe that the shallow hydrogenic impurity becomes deeper as the dot size (R) is reduced and with further reduction of the dot size it becomes shallow and at times resonant with the conduction band. Such a shallow-deep (SHADE) transition is investigated and a critical size in terms of the impurity Bohr radius (aI*) is identified. A relevant aspect of a QD is reduction in the dielectric constant, ɛ, as its size decreases. Employing a size dependent ɛ(R), we demonstrate that the impurity level gets exceptionally deep in systems for which aI* is small. Thus, carrier "freeze out" is a distinct possibility in a wide class of materials such as ZnS, CdS, etc. The behavior of the impurity level with dot size is understood on the basis of simple scaling arguments. Calculations are presented for III-V (AlGaAs) and II-VI (ZnS, CdS) QDs. We speculate that the deepening of the impurity level is related to the high luminescence efficiency of QDs. It is suggested that quantum dots offer an opportunity for defect engineering.

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

    SciTech Connect

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

    2003-06-16

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

  10. Fitting magnetic field gradient with Heisenberg-scaling accuracy

    PubMed Central

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

    2014-01-01

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

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

    PubMed

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

    2014-05-16

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

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

    NASA Astrophysics Data System (ADS)

    Jacobi, Manfred

    2001-11-01

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

  13. Energy dynamics in the Heisenberg-Kitaev spin chain

    NASA Astrophysics Data System (ADS)

    Steinigeweg, Robin; Brenig, Wolfram

    2016-06-01

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

  14. Electromagnetic soliton propagation in an anisotropic Heisenberg helimagnet

    NASA Astrophysics Data System (ADS)

    Saravanan, M.

    2014-08-01

    We study the nonlinear spin dynamics of Heisenberg helimagnet under the effect of electromagnetic wave (EM) propagation. The basic dynamical equation of the spin evolution governed by Landau-Lifshitz equation resembles the director dynamics of the twist in a cholestric liquid crystal. With the use of reductive perturbation technique the perturbation is invoked for the spin magnetization and magnetic field components of the propagating electromagnetic wave. A steady-state solution is derived for the weakly nonlinear regime and for the next order, the components turn around s plane perpendicular to the propagation direction. It is found that as the electromagnetic wave propagates in the medium, both the magnetization and magnetic field modulate in the form of kink soliton modes by introducing amplitude fluctuation in the tail part of the same.

  15. Quantum Mechanics from a Heisenberg-Type Equality

    NASA Astrophysics Data System (ADS)

    Hall, Michael J. W.; Reginatto, Marcel

    2003-09-01

    The usual Heisenberg uncertainty relation, ΔXΔP≥h¯/2, may be replaced by an exact equality for suitably chosen measures of position and momentum uncertainty, which is valid for all wave functions. This exact uncertainty relation, δXΔPnc≡h¯/2, can be generalised to other pairs of conjugate observables such as photon number and phase, and is sufficiently strong to provide the basis for moving from classical mechanics to quantum mechanics. In particular, the assumption of a nonclassical momentum fluctuation, having a strength, which scales inversely with uncertainty in position, leads from the classical equations of motion to the Schrödinger equation.

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

    SciTech Connect

    Johnston, David C.

    2015-02-27

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

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

    DOE PAGESBeta

    Johnston, David C.

    2015-02-27

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

  18. Modeling of impurity spectroscopy in the divertor and SOL of DIII-D using the 1D multifluid model NEWT1D

    SciTech Connect

    West, W.P.; Evans, T.E.; Brooks, N.H.

    1996-10-01

    NEWT1D, a one dimensional multifluid model of the scrape-off layer and divertor plasma, has been used to model the plasma including the distribution of carbon ionization states in the SOL and divertor of ELMing H-mode at two injected power levels in DIII-D. Comparison of the code predictions to the measured divertor and scrape-off layer (SOL) plasma density and temperature shows good agreement. Comparison of the predicted line emissions to the spectroscopic data suggests that physically sputtered carbon from the strike point is not transported up the flux tube; a distributed source of carbon a few centimeters up the flux tube is required to achieve reasonable agreement.

  19. Control of impurities in toroidal plasma devices

    DOEpatents

    Ohkawa, Tihiro

    1980-01-01

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

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

    SciTech Connect

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

    2010-06-15

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

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

    NASA Astrophysics Data System (ADS)

    Fülöp, T.; Braun, S.; Pusztai, I.

    2010-06-01

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

  2. Impurity Effects in Highly Frustrated Diamond-Lattice Antiferromagnets

    NASA Astrophysics Data System (ADS)

    Savary, Lucile

    2012-02-01

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

  3. A New Relationship Among Self- and Impurity Diffusion Coefficients in Binary Solution Phases

    NASA Astrophysics Data System (ADS)

    Xin, Jinghua; Du, Yong; Shang, Shunli; Cui, Senlin; Wang, Jianchuan; Huang, Baiyun; Liu, Zikui

    2016-07-01

    A new relationship among self- and impurity diffusion coefficients has been proposed for binary solution phases and verified via 30 solid solutions. In terms of this model, one impurity diffusion coefficient in a binary phase can be predicted once the other three diffusion coefficients are available. The application of the present model is exemplified in the Al-Mg system.

  4. A New Relationship Among Self- and Impurity Diffusion Coefficients in Binary Solution Phases

    NASA Astrophysics Data System (ADS)

    Xin, Jinghua; Du, Yong; Shang, Shunli; Cui, Senlin; Wang, Jianchuan; Huang, Baiyun; Liu, Zikui

    2016-05-01

    A new relationship among self- and impurity diffusion coefficients has been proposed for binary solution phases and verified via 30 solid solutions. In terms of this model, one impurity diffusion coefficient in a binary phase can be predicted once the other three diffusion coefficients are available. The application of the present model is exemplified in the Al-Mg system.

  5. Fundamental aspects of metallic impurities and impurity interactions in silicon during device processing

    SciTech Connect

    Graff, K.

    1995-08-01

    A review on the behavior of metallic impurities in silicon can be considerably simplified by a restriction on pure, dislocation-free, monocrystalline silicon. In this case interactions between different impurities and between impurities and grown-in lattice defects can be reduced. This restriction is observed in Chapter 1 for discussing the general behavior of metallic impurities in silicon.

  6. Hund{close_quote}s-rule effects in the {ital f}{sup 1}-{ital f}{sup 2} Anderson impurity model: Renormalization of Hund{close_quote}s-rule Coulomb interactions down to low energies

    SciTech Connect

    Landgraf, J.M.; Rasul, J.W.

    1996-10-01

    We examine the problem of an Anderson impurity model where the lowest configurations are {ital f}{sup 1} and {ital f}{sup 2}, with a Hund{close_quote}s-rule splitting (corresponding to Hunds first rule) present. We calculate (using the 1/{ital N} expansion) the single-particle spectrum in the limit of large ferromagnetic triplet-singlet splitting, and find the spectrum to be mostly equivalent to that of a zero Hund{close_quote}s-rule splitting model with reduced hybridization. At low energies, however, additional features arise on a scale given by the Kondo temperature. The results illustrate how the effects of a strong Hund{close_quote}s-rule interaction are renormalized down to low energies, and help understand how a heavy fermion band structure can be resilient against Hund{close_quote}s-rule couplings. {copyright} {ital 1996 The American Physical Society.}

  7. Observation of impurity accumulation and concurrent impurity influx in PBX

    SciTech Connect

    Sesnic, S.S.; Fonck, R.J.; Ida, K.; Bol, K.; Couture, P.; Gammel, G.; Kaita, R.; Kaye, S.; Kugel, H.; LeBlanc, B.

    1986-07-01

    Impurity studies in L- and H-mode discharges in PBX have shown that both types of discharges can evolve into either an impurity accumulative or nonaccumulative case. In a typical accumulative discharge, Zeff peaks in the center to values of about 5. The central metallic densities can be high, n/sub met//n/sub e/ approx. = 0.01, resulting in central radiated power densities in excess of 1 W/cm/sup 3/, consistent with bolometric estimates. The radial profiles of metals obtained independently from the line radiation in the soft x-ray and the VUV regions are very peaked. Concurrent with the peaking, an increase in the impurity influx coming from the edge of the plasma is observed. At the beginning of the accumulation phase the inward particle flux for titanium has values of 6 x 10/sup 10/ and 10 x 10/sup 10/ particles/cm/sup 2/s at minor radii of 6 and 17 cm. At the end of the accumulation phase, this particle flux is strongly increased to values of 3 x 10/sup 12/ and 1 x 10/sup 12/ particles/cm/sup 2/s. This increased flux is mainly due to influx from the edge of the plasma and to a lesser extent due to increased convective transport. Using the measured particle flux, an estimate of the diffusion coefficient D and the convective velocity v is obtained.

  8. Werner Heisenberg and Carl Friedrich Freiherr von Weizsäcker: A Fifty-Year Friendship*

    NASA Astrophysics Data System (ADS)

    Cassidy, David C.

    2015-03-01

    This paper follows Werner Heisenberg and Carl Friedrich von Weizsäcker during their fifty-year friendship from 1926, when they first met in Copenhagen, to Heisenberg's death in Munich in 1976. The relationship underwent profound changes during that period, as did physics, philosophy, and German society and politics, all of which exerted important influences on their lives, work, and interactions with each other. The nature of these developments and their impact are explored in this paper.

  9. Adiabatic demagnetization of spin-1/2 antiferromagnetic J1-J2 Heisenberg hexagon

    NASA Astrophysics Data System (ADS)

    Deb, Moumita; Ghosh, Asim Kumar

    2016-05-01

    Analytic expressions of exact eigenvalues of the antiferromagnetic spin-1/2 J1-J2 Heisenberg hexagon in the presence of magnetic field have been obtained. Studies on the magnetization process, nature of isentrops and properties of magnetocaloric effect in terms of adiabatic demagnetization have been carried out. Magnetocaloric effect of the spin-1/2 Heisenberg hexagonal compound Cu3WO6 has been investigated with the help of these theoretical findings.

  10. Adiabatic demagnetization of the antiferromagnetic spin-1/2 Heisenberg hexagonal cluster

    NASA Astrophysics Data System (ADS)

    Deb, Moumita; Ghosh, Asim Kumar

    2016-05-01

    Exact analytic expressions of eigenvalues of the antiferromagnetic spin-1/2 Heisenberg hexagon in the presence of uniform magnetic field have been obtained. Magnetization process, nature of isentrops and properties of magneto caloric effect in terms of adiabatic demagnetization have been investigated. Theoretical results have been used to study the magneto caloric effect of the spin-1/2 Heisenberg hexagonal compound Cu3WO6.

  11. The Heisenberg-Euler Lagrangian as an example of an effective field theory

    NASA Astrophysics Data System (ADS)

    Dittrich, Walter

    2014-10-01

    We review the beginning of the effective Lagrangian in QED that was first introduced in the literature by W. Heisenberg and H. Euler in 1936. Deviating from their way of calculating the one-loop effective correction to the classical Maxwell Lagrangian, we use Green's functions and adopt the Fock-Schwinger proper-time method. The important role of the Heisenberg-Euler effective Lagrangian is explicitly demonstrated for low-energy photon-photon processes.

  12. Laser Blow Off and Impurity Entrainment in CSDX

    NASA Astrophysics Data System (ADS)

    Gosselin, Jordan James; Thakur, Saikat; Tynan, George

    2015-11-01

    Material migration in tokamaks is especially important when considering the lifetime of plasma facing components. However, the flow geometry in the scrape off layer can be complex and diagnostic access is limited. To study the impurity transport in a simple geometry, a laser blow off apparatus was installed on the Controlled Shear Decorelation eXperiment (a 3m long linear helicon source operated plasma machine with an electron temperature of 4 eV and density of 1013 per cm3). The parallel velocity and diffusion coefficients for the impurity are determined by modeling the impurity injection with the 1-D advection-diffusion equation. The parallel velocity of the impurity cloud found with the model agrees very well with laser induced fluorescence (LIF) measurements of the parallel plasma ion velocity. This indicates that the bismuth impurities are fully entrained in the plasma, which is consistent with classical collisional theories. This material is based upon work supported by the U.S. Department of Energy, Office of Science, under Award Number DE-FG02-07ER54912.

  13. Phase diagram of the alternating-spin Heisenberg chain with extra isotropic three-body exchange interactions

    NASA Astrophysics Data System (ADS)

    Ivanov, Nedko B.; Ummethum, Jörg; Schnack, Jürgen

    2014-10-01

    For the time being isotropic three-body exchange interactions are scarcely explored and mostly used as a tool for constructing various exactly solvable one-dimensional models, although, generally speaking, such competing terms in generic Heisenberg spin systems can be expected to support specific quantum effects and phases. The Heisenberg chain constructed from alternating S = 1 and σ = 1/2 site spins defines a realistic prototype model admitting extra three-body exchange terms. Based on numerical density-matrix renormalization group (DMRG) and exact diagonalization (ED) calculations, we demonstrate that the additional isotropic three-body terms stabilize a variety of partially-polarized states as well as two specific non-magnetic states including a critical spin-liquid phase controlled by two Gaussinal conformal theories as well as a critical nematic-like phase characterized by dominant quadrupolar S-spin fluctuations. Most of the established effects are related to some specific features of the three-body interaction such as the promotion of local collinear spin configurations and the enhanced tendency towards nearest-neighbor clustering of the spins. It may be expected that most of the predicted effects of the isotropic three-body interaction persist in higher space dimensions.

  14. Alternating-spin S = 3/2 and σ = 1/2 Heisenberg chain with isotropic three-body exchange interactions

    NASA Astrophysics Data System (ADS)

    Ivanov, Nedko B.; Petrova, Svetozara I.; Schnack, Jürgen

    2016-05-01

    The promotion of collinear classical spin configurations as well as the enhanced tendency towards nearest-neighbor clustering of the quantum spins are typical features of the frustrating isotropic three-body exchange interactions in Heisenberg spin systems. Based on numerical density-matrix renormalization group calculations, we demonstrate that these extra interactions in the Heisenberg chain constructed from alternating S = 3/2 and σ = 1/2 site spins can generate numerous specific quantum spin states, including some partially-polarized ferrimagnetic states as well as a doubly-degenerate non-magnetic gapped phase. In the non-magnetic region of the phase diagram, the model describes a crossover between the spin-1 and spin-2 Haldane-type states.

  15. Impurity effects in highly frustrated diamond-lattice antiferromagnets

    NASA Astrophysics Data System (ADS)

    Savary, Lucile; Gull, Emanuel; Trebst, Simon; Alicea, Jason; Bergman, Doron; Balents, Leon

    2011-08-01

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

  16. Effect of impurities on the transition temperature of a dilute dipolar trapped Bose gas

    NASA Astrophysics Data System (ADS)

    Yavari, H.; Afsaneh, E.

    2013-01-01

    By using a two-fluid model the effect of impurities on the transition temperature of a dipolar trapped Bose gas is investigated. By treating Gaussian spatial correlation for impurities from the interaction modified spectra of the system, the formula for the shift of the transition temperature is derived. The shift of the transition temperature contains essentially three contributions due to contact, dipole-dipole, and impurity interactions. Applying our results to dipolar Bose gases shows that the shift of the transition temperature due to impurities could be measured for an isotropic trap (dipole-dipole contribution is zero) and the Feshbach resonance technique (contact potential contribution is negligible).

  17. Controlling dynamical thermal transport of biased bilayer graphene by impurity atoms

    NASA Astrophysics Data System (ADS)

    Rezania, Hamed; Yarmohammadi, Mohsen

    2016-07-01

    We address the dynamical thermal conductivity of biased bilayer graphene doped with acceptor impurity atoms for AA-stacking in the context of tight binding model Hamiltonian. The effect of scattering by dilute charged impurities is discussed in terms of the self-consistent Born approximation. Green's function approach has been exploited to find the behavior of thermal conductivity of bilayer graphene within the linear response theory. We have found the frequency dependence of thermal conductivity for different values of concentration and scattering strength of dopant impurity. Also the dependence of thermal conductivity on the impurity concentration and bias voltage has been investigated in details.

  18. Solid State Physics View of Liquid State Chemistry III. Electrical Conductance of Pure and Impure Water

    NASA Astrophysics Data System (ADS)

    Binbin, Jie; Chihtang, Sah

    2014-04-01

    The ‘abnormally’ high electrical conductivity of pure water was recently studied by us using our protonic bond, trap and energy band model, with five host particles: the positive and negative protons, and the amphoteric protonic trap in three charge states, positive, neutral and negative. Our second report described the electrical charge storage capacitance of pure and impure water. This third report presents the theory of particle density and electrical conductance of pure and impure water, including the impuritons, which consist of an impurity ion bonded to a proton, proton-hole or proton trap and which significantly affect impure waters' properties.

  19. Self-pumping impurity control

    DOEpatents

    Brooks, J.N.; Mattas, R.F.

    1983-12-21

    It is an object of the present invention to provide an apparatus for removing impurities from the plasma in a fusion reactor without an external vacuum pumping system. It is also an object of the present invention to provide an apparatus for removing the helium ash from a fusion reactor. It is another object of the present invention to provide an apparatus which removes helium ash and minimizes tritium recycling and inventory.

  20. The Effects of Impurities on Protein Crystal Growth and Nucleation: A Preliminary Study

    NASA Technical Reports Server (NTRS)

    Schall, Constance A.

    1998-01-01

    Kubota and Mullin (1995) devised a simple model to account for the effects of impurities on crystal growth of small inorganic and organic molecules in aqueous solutions. Experimentally, the relative step velocity and crystal growth of these molecules asymptotically approach zero or non-zero values with increasing concentrations of impurities. Alternatively, the step velocity and crystal growth can linearly approach zero as the impurity concentration increases. The Kubota-Mullin model assumes that the impurity exhibits Langmuirian adsorption onto the crystal surface. Decreases in step velocities and subsequent growth rates are related to the fractional coverage (theta) of the crystal surface by adsorbed impurities; theta = Kx / (I +Kx), x = mole fraction of impurity in solution. In the presence of impurities, the relative step velocity, V/Vo, and the relative growth rate of a crystal face, G/Go, are proposed to conform to the following equations: V/Vo approx. = G/Go = 1 - (alpha)(theta). The adsorption of impurity is assumed to be rapid and in quasi-equilibrium with the crystal surface sites available. When the value of alpha, an effectiveness factor, is one the growth will asymptotically approach zero with increasing concentrations of impurity. At values less than one, growth approaches a non-zero value asymptotically. When alpha is much greater than one, there will be a linear relationship between impurity concentration and growth rates. Kubota and Mullin expect alpha to decrease with increasing supersaturation and shrinking size of a two dimensional nucleus. It is expected that impurity effects on protein crystal growth will exhibit behavior similar to that of impurities in small molecule growth. A number of proteins were added to purified chicken egg white lysozyme, the effect on crystal nucleation and growth assessed.

  1. Influence of impurities on solitons in the nonlinear LC transmission line.

    PubMed

    Pan, Jun-ting; Chen, Wei-zhong; Tao, Feng; Xu, Wen

    2011-01-01

    This paper studies the propagation of solitons in the nonlinear LC transmission line (NLCTL) with capacitor impurity. Based on Kirchhoff's laws, the numerical simulation shows that the amplitude of the soliton will be increased or decreased when it is close to the positive or negative impurity. Then, it will be split into reflected and transmitted waves by both the positive and negative impurities. Furthermore, their final amplitude and propagating speeds are almost independent of the impurity polarity. The observations near the impurity can be understood in the physical picture of the linear uncoupled energy absorption. By these results, we find that the impurity-soliton interactions (ISIs) in NLCTLs for both inductance and capacitance impurities, which have been seen to be different before, actually can be unified. They also indicate that the ISIs in NLCTLs essentially can be integrated with those in many other soliton systems, such as the Frenkel-Kontorova model and hydrodynamics. Moreover, the impurity-induced influence on the NLCTL solitons can also be well interpreted in the framework of the nonlinear Schrödinger model with an impurity term derived from the discrete voltage propagation equations by means of the perturbation method. PMID:21405785

  2. Impurity diffusion in transition-metal oxides

    SciTech Connect

    Peterson, N.L.

    1982-06-01

    Intrinsic tracer impurity diffusion measurements in ceramic oxides have been primarily confined to CoO, NiO, and Fe/sub 3/O/sub 4/. Tracer impurity diffusion in these materials and TiO/sub 2/, together with measurements of the effect of impurities on tracer diffusion (Co in NiO and Cr in CoO), are reviewed and discussed in terms of impurity-defect interactions and mechanisms of diffusion. Divalent impurities in divalent solvents seem to have a weak interaction with vacancies whereas trivalent impurities in divalent solvents strongly influence the vacancy concentrations and significantly reduce solvent jump frequencies near a trivalent impurity. Impurities with small ionic radii diffuse more slowly with a larger activation energy than impurities with larger ionic radii for all systems considered in this review. Cobalt ions (a moderate size impurity) diffuse rapidly along the open channels parallel to the c-axis in TiO/sub 2/ whereas chromium ions (a smaller-sized impurity) do not. 60 references, 11 figures.

  3. Gaseous trace impurity analyzer and method

    DOEpatents

    Edwards, Jr., David; Schneider, William

    1980-01-01

    Simple apparatus for analyzing trace impurities in a gas, such as helium or hydrogen, comprises means for drawing a measured volume of the gas as sample into a heated zone. A segregable portion of the zone is then chilled to condense trace impurities in the gas in the chilled portion. The gas sample is evacuated from the heated zone including the chilled portion. Finally, the chilled portion is warmed to vaporize the condensed impurities in the order of their boiling points. As the temperature of the chilled portion rises, pressure will develop in the evacuated, heated zone by the vaporization of an impurity. The temperature at which the pressure increase occurs identifies that impurity and the pressure increase attained until the vaporization of the next impurity causes a further pressure increase is a measure of the quantity of the preceding impurity.

  4. Electromagnetic effects on trace impurity transport in tokamak plasmas

    SciTech Connect

    Hein, T.; Angioni, C.

    2010-01-15

    The impact of electromagnetic effects on the transport of light and heavy impurities in tokamak plasmas is investigated by means of an extensive set of linear gyrokinetic numerical calculations with the code GYRO[J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)] and of analytical derivations with a fluid model. The impurity transport is studied by appropriately separating diffusive and convective contributions, and conditions of background microturbulence dominated by both ion temperature gradient (ITG) and trapped electron modes (TEMs) are analyzed. The dominant contribution from magnetic flutter transport turns out to be of pure convective type. However it remains small, below 10% with respect to the ExB transport. A significant impact on the impurity transport due to an increase in the plasma normalized pressure parameter beta is observed in the case of ITG modes, while for TEM the overall effect remains weak. In realistic conditions of high beta plasmas in the high confinement (H-) mode with dominant ITG turbulence, the impurity diffusivity is found to decrease with increasing beta in qualitative agreement with recent observations in tokamaks. In contrast, in these conditions, the ratio of the total off-diagonal convective velocity to the diagonal diffusivity is not strongly affected by an increase in beta, particularly at low impurity charge, due to a compensation between the different off-diagonal contributions.

  5. Impurity Transport in a Simulated Gas Target Divertor

    NASA Astrophysics Data System (ADS)

    Blush, L. M.; Luckhardt, S.; Seraydarian, R.; Whyte, D.; Conn, R. W.; Schmitz, L.

    1997-11-01

    Previous simulated gas target divertor experiments in the PISCES-A linear plasma device (n <= 3 × 10^19 m-3, kTe <= 20 eV) indicated enhanced impurity retention near the target in comparison to a high recycling divertor regime. A 1 1\\over2-D fluid modeling code suggested that impurities are impeded from transporting away from the target by friction with the neutral and ionized hydrogen. In recent experiments with a PISCES-A ``slot-type'' divertor configuration, we have implemented a spectroscopic detection system to measure the axial density profiles of several impurity charge states. Moreover, we envision adding two extended cylindrical baffles spanning a pumped vacuum section to achieve strong differential pumping. This arrangement will isolate the plasma source from the gas target region and allow us to seed the background hydrogen plasma with higher impurities concentrations and investigate a regime dominated by impurity radiation. In preliminary design experiments, PISCES-A was successfully operated with an electrically isolated, copper baffle (d=5 cm, l=33.5 cm) mounted to reduce the vacuum conductance between the source and target regions. This work supported by US-DoE contract DE-FG03-95ER-54301.

  6. EFFECT OF FUEL IMPURITIES ON FUEL CELL PERFORMANCE AND DURABILITY

    SciTech Connect

    Colon-Mercado, H.

    2010-09-28

    A fuel cell is an electrochemical energy conversion device that produces electricity during the combination of hydrogen and oxygen to produce water. Proton exchange membranes fuel cells are favored for portable applications as well as stationary ones due to their high power density, low operating temperature, and low corrosion of components. In real life operation, the use of pure fuel and oxidant gases results in an impractical system. A more realistic and cost efficient approach is the use of air as an oxidant gas and hydrogen from hydrogen carriers (i.e., ammonia, hydrocarbons, hydrides). However, trace impurities arising from different hydrogen sources and production increases the degradation of the fuel cell. These impurities include carbon monoxide, ammonia, sulfur, hydrocarbons, and halogen compounds. The International Organization for Standardization (ISO) has set maximum limits for trace impurities in the hydrogen stream; however fuel cell data is needed to validate the assumption that at those levels the impurities will cause no degradation. This report summarizes the effect of selected contaminants tested at SRNL at ISO levels. Runs at ISO proposed concentration levels show that model hydrocarbon compound such as tetrahydrofuran can cause serious degradation. However, the degradation is only temporary as when the impurity is removed from the hydrogen stream the performance completely recovers. Other molecules at the ISO concentration levels such as ammonia don't show effects on the fuel cell performance. On the other hand carbon monoxide and perchloroethylene shows major degradation and the system can only be recovered by following recovery procedures.

  7. Effects of impurities on surface morphology: some examples

    NASA Astrophysics Data System (ADS)

    Hamouda, Ajmi BH; Stasevich, T. J.; Pimpinelli, Alberto; Einstein, T. L.

    2009-02-01

    Small amounts of impurities are known to have remarkably great influence on surface morphology. We discuss three examples that arise in our research. First, we consider impurities codeposited during epitaxial growth, paying particular attention to Cu(100). After many layers of growth, the impurities can dramatically alter the surface morphology, changing the wavelength of the meandering instability and producing small square-base pyramids. Second, we consider the decoration of both island and vacancy island edges on Ag(111) with C60. We use this system as a prototype to model how edge decoration with impurities can have a striking effect on the shape of the island as well as the dynamics of edge fluctuations. Finally, we show that about one per cent of pentacene quinone impurities alters the size of the critical nucleus in submonolayer pentacene deposition. This provides a platform on which to discuss our recent work characterizing the capture-zone distribution associated with the islands in terms of the generalized Wigner distribution, a simple one-parameter expression in which the characteristic exponent is the size of the smallest stable island.

  8. Spin Hamiltonian, order out of a Coulomb phase, and pseudocriticality in the frustrated pyrochlore Heisenberg antiferromagnet FeF3

    NASA Astrophysics Data System (ADS)

    Sadeghi, Azam; Alaei, Mojtaba; Shahbazi, Farhad; Gingras, Michel J. P.

    2015-04-01

    FeF3, with its half-filled Fe3 +3 d orbital, hence zero orbital angular momentum and S =5 /2 , is often put forward as a prototypical highly frustrated classical Heisenberg pyrochlore antiferromagnet. By employing ab initio density functional theory, we obtain an effective spin Hamiltonian for this material. This Hamiltonian contains nearest-neighbor antiferromagnetic Heisenberg, biquadratic, and Dzyaloshinskii-Moriya interactions as dominant terms and we use Monte Carlo simulations to investigate the nonzero temperature properties of this minimal model. We find that upon decreasing temperature, the system passes through a Coulomb phase, composed of short-range correlated coplanar states, before transforming into an "all-in/all-out" (AIAO) state via a very weakly first-order transition at a critical temperature Tc≈22 K, in good agreement with the experimental value for a reasonable set of Coulomb interaction U and Hund's coupling JH describing the material. Despite the transition being first order, the AIAO order parameter evolves below Tc with a power-law behavior characterized by a pseudo "critical exponent" β ≈0.18 in accord with experiment. We comment on the origin of this unusual β value.

  9. The generalized Gibbs ensemble for Heisenberg spin chains

    NASA Astrophysics Data System (ADS)

    Pozsgay, Balázs

    2013-07-01

    We consider the generalized Gibbs ensemble (GGE) in the context of global quantum quenches in XXZ Heisenberg spin chains. Embedding the GGE into the quantum transfer matrix formalism, we develop an iterative procedure to fix the Lagrange multipliers and to calculate predictions for the long-time limit of short-range correlators. The main idea is to consider truncated GGEs with only a finite number of charges and to investigate the convergence of the numerical results as the truncation level is increased. As an example we consider a quantum quench situation where the system is initially prepared in the Néel state and then evolves with an XXZ Hamiltonian with anisotropy Δ > 1. We provide predictions for short-range correlators and gather numerical evidence that the iterative procedure indeed converges. The results show that the system retains memory of the initial condition, and there are clear differences between the numerical values of the correlators as calculated from the purely thermal and generalized Gibbs ensembles.

  10. New Results for Heisenberg Spin Ladders Using a Plaquette Basis

    NASA Astrophysics Data System (ADS)

    Shepard, J. R.; Piekarewicz, J.

    1997-10-01

    Heisenberg spin ladders consist of interacting parallel quantum spin chains; interactions are between nearest-neighbors only. These systems are of current interest because of their rich and subtle dynamics as well as their possible relevance to high-temperature superconductors.(see, e.g.), Physics Today, October, 1996, p.17 We have formulated a novel ``plaquette basis'' for computing properties of 2-leg spin ladders. The Hamiltonian is diagonal for individual plaquettes in this basis which proves to be useful both calculationally and for providing a physical picture of the dynamics of the ladders. Implementation of this basis requires Racah algebra techniques familiar in nuclear and atomic physics but relatively unknown in condensed matter physics. We present plaquette-basis calculations for various properties of 2-leg ladders with up to 8 rungs. For the larger ladders, we use COntractor REnormalization (CORE(C.J. Morningstar and M. Weinstein, hep-lat)/9603016) methods to correct for truncations. We also present a Renormalization Group scheme which permits us to treat arbitrarily large ladders. Comparisons to and extensions of previous calculations will be presented.

  11. Soft Heisenberg hair on black holes in three dimensions

    NASA Astrophysics Data System (ADS)

    Afshar, Hamid; Detournay, Stephane; Grumiller, Daniel; Merbis, Wout; Perez, Alfredo; Tempo, David; Troncoso, Ricardo

    2016-05-01

    Three-dimensional Einstein gravity with a negative cosmological constant admits stationary black holes that are not necessarily spherically symmetric. We propose boundary conditions for the near-horizon region of these black holes that lead to a surprisingly simple near-horizon symmetry algebra consisting of two affine u ^(1 ) current algebras. The symmetry algebra is essentially equivalent to the Heisenberg algebra. The associated charges give a specific example of "soft hair" on the horizon, as defined by Hawking, Perry and Strominger. We show that soft hair does not contribute to the Bekenstein-Hawking entropy of Bañados-Teitelboim-Zanelli black holes and "black flower" generalizations. From the near-horizon perspective the conformal generators at asymptotic infinity appear as composite operators, which we interpret in the spirit of black hole complementarity. Another remarkable feature of our boundary conditions is that they are singled out by requiring that the whole spectrum is compatible with regularity at the horizon, regardless of the value of the global charges like mass or angular momentum. Finally, we address black hole microstates and generalizations to cosmological horizons.

  12. Electromagnetic Fields on Time-Involute Particles Around Biharmonic Particles and its Lorentz Transformations in Heisenberg Spacetime

    NASA Astrophysics Data System (ADS)

    Körpinar, Talat; Asi˙l, Vedat; Turhan, Essin

    2015-01-01

    In this paper, we obtain the new parametric representation for a time-involute particles in Heisenberg spacetime . By using the Frenet frame, we derive the necessary and sufficient conditions to construct a biharmonic particle Heisenberg spacetime . We give a geometrical description of time-involute particles around timelike biharmonic particle in . Moreover, we obtain Lorentz transformations this particles. Finally, we give the relationship of electromagnetic fields on Heisenberg spacetime.

  13. Orientation-dependent impurity partitioning of colloidal crystals

    NASA Astrophysics Data System (ADS)

    Nozawa, Jun; Uda, Satoshi; Hu, Sumeng; Fujiwara, Kozo; Koizumi, Haruhiko

    2016-04-01

    Impurity partitioning during colloidal crystallization was investigated for grains with different orientations. Particles of various sizes were doped as impurities during the growth of colloidal polycrystals. The effective partition coefficient, keff, which is the impurity concentration in the solid (CS) divided by that in initial solution (CL), was measured for grains oriented in the [111] and [100] directions normal to the growth direction. The [111]-oriented grains were found to have a larger keff than [100]-oriented grains. This was analyzed by using the Thurmond and Struthers model. Though both [111]- and [100]-oriented grains were face centered cubic (fcc) structures, within several layers of crystals, the volume fraction of [111]-oriented grains was larger than that of [100]-oriented grains, yielding a larger driving force for nucleation, ΔGTr, and thus a larger equilibrium partition coefficient, k0, for [111]-oriented grains.

  14. A real-time impurity solver for DMFT

    NASA Astrophysics Data System (ADS)

    Kim, Hyungwon; Aron, Camille; Han, Jong E.; Kotliar, Gabriel

    Dynamical mean-field theory (DMFT) offers a non-perturbative approach to problems with strongly correlated electrons. The method heavily relies on the ability to numerically solve an auxiliary Anderson-type impurity problem. While powerful Matsubara-frequency solvers have been developed over the past two decades to tackle equilibrium situations, the status of real-time impurity solvers that could compete with Matsubara-frequency solvers and be readily generalizable to non-equilibrium situations is still premature. We present a real-time solver which is based on a quantum Master equation description of the dissipative dynamics of the impurity and its exact diagonalization. As a benchmark, we illustrate the strengths of our solver in the context of the equilibrium Mott-insulator transition of the one-band Hubbard model and compare it with iterative perturbation theory (IPT) method. Finally, we discuss its direct application to a nonequilibrium situation.

  15. Charge dependence of neoclassical and turbulent transport of light impurities on MAST

    NASA Astrophysics Data System (ADS)

    Henderson, S. S.; Garzotti, L.; Casson, F. J.; Dickinson, D.; O'Mullane, M.; Patel, A.; Roach, C. M.; Summers, H. P.; Tanabe, H.; Valovič, M.; the MAST Team

    2015-09-01

    Carbon and nitrogen impurity transport coefficients are determined from gas puff experiments carried out during repeat L-mode discharges on the Mega-Amp Spherical Tokamak (MAST) and compared against a previous analysis of helium impurity transport on MAST. The impurity density profiles are measured on the low-field side of the plasma, therefore this paper focuses on light impurities where the impact of poloidal asymmetries on impurity transport is predicted to be negligible. A weak screening of carbon and nitrogen is found in the plasma core, whereas the helium density profile is peaked over the entire plasma radius. Both carbon and nitrogen experience a diffusivity of the order of 10 m2s-1 and a strong inward convective velocity of ˜40 m s-1 near the plasma edge, and a region of outward convective velocity at mid-radius. The measured impurity transport coefficients are consistent with neoclassical Banana-Plateau predictions within ρ ≤slant 0.4 . Quasi-linear gyrokinetic predictions of the carbon and helium particle flux at two flux surfaces, ρ =0.6 and ρ =0.7 , suggest that trapped electron modes are responsible for the anomalous impurity transport observed in the outer regions of the plasma. The model, combining neoclassical transport with quasi-linear turbulence, is shown to provide reasonable estimates of the impurity transport coefficients and the impurity charge dependence.

  16. Formation and Stability of Impurity "snakes" in Tokamak Plasmas

    SciTech Connect

    L. Delgado-Aparicio, et. al.

    2013-01-28

    New observations of the formation and dynamics of long-lived impurity-induced helical "snake" modes in tokamak plasmas have recently been carried-out on Alcator C-Mod. The snakes form as an asymmetry in the impurity ion density that undergoes a seamless transition from a small helically displaced density to a large crescent-shaped helical structure inside q < 1, with a regularly sawtoothing core. The observations show that the conditions for the formation and persistence of a snake cannot be explained by plasma pressure alone. Instead, many features arise naturally from nonlinear interactions in a 3D MHD model that separately evolves the plasma density and temperature

  17. Electronic energy levels of nanorings with impurities and Aharonov-Bohm effects

    NASA Astrophysics Data System (ADS)

    Ramírez, S.

    2011-10-01

    By modeling impurities along a nanoring as general potential forms the Schrödinger equation for ballistic electrons is shown to separate in cylindrical coordinates. We find an analytical eigenvalue equation for N delta-function-barrier impurities in the presence of magnetic flux. Previous calculations of the electronic states of a one-dimensional (1D) and two-dimensional (2D) nanoring for only one or two impurities modeled by equal square barriers is explicitly extended to three and four different or equal impurities modeled as delta-barrier, square-barrier, or delta-well potential forms. This is shown to be generalizable to any number N. Effects on the energy spectra due to magnetic flux and different kinds and numbers of impurities are compared in 1D and 2D nanorings.

  18. The Monte Carlo validation framework for the discriminant partial least squares model extended with variable selection methods applied to authenticity studies of Viagra® based on chromatographic impurity profiles.

    PubMed

    Krakowska, B; Custers, D; Deconinck, E; Daszykowski, M

    2016-02-01

    The aim of this work was to develop a general framework for the validation of discriminant models based on the Monte Carlo approach that is used in the context of authenticity studies based on chromatographic impurity profiles. The performance of the validation approach was applied to evaluate the usefulness of the diagnostic logic rule obtained from the partial least squares discriminant model (PLS-DA) that was built to discriminate authentic Viagra® samples from counterfeits (a two-class problem). The major advantage of the proposed validation framework stems from the possibility of obtaining distributions for different figures of merit that describe the PLS-DA model such as, e.g., sensitivity, specificity, correct classification rate and area under the curve in a function of model complexity. Therefore, one can quickly evaluate their uncertainty estimates. Moreover, the Monte Carlo model validation allows balanced sets of training samples to be designed, which is required at the stage of the construction of PLS-DA and is recommended in order to obtain fair estimates that are based on an independent set of samples. In this study, as an illustrative example, 46 authentic Viagra® samples and 97 counterfeit samples were analyzed and described by their impurity profiles that were determined using high performance liquid chromatography with photodiode array detection and further discriminated using the PLS-DA approach. In addition, we demonstrated how to extend the Monte Carlo validation framework with four different variable selection schemes: the elimination of uninformative variables, the importance of a variable in projections, selectivity ratio and significance multivariate correlation. The best PLS-DA model was based on a subset of variables that were selected using the variable importance in the projection approach. For an independent test set, average estimates with the corresponding standard deviation (based on 1000 Monte Carlo runs) of the correct

  19. Impure placebo is a useless concept.

    PubMed

    Louhiala, Pekka; Hemilä, Harri; Puustinen, Raimo

    2015-08-01

    Placebos are allegedly used widely in general practice. Surveys reporting high level usage, however, have combined two categories, 'pure' and 'impure' placebos. The wide use of placebos is explained by the high level usage of impure placebos. In contrast, the prevalence of the use of pure placebos has been low. Traditional pure placebos are clinically ineffective treatments, whereas impure placebos form an ambiguous group of diverse treatments that are not always ineffective. In this paper, we focus on the impure placebo concept and demonstrate problems related to it. We also show that the common examples of impure placebos are not meaningful from the point of view of clinical practice. We conclude that the impure placebo is a scientifically misleading concept and should not be used in scientific or medical literature. The issues behind the concept, however, deserve serious attention in future research. PMID:26215744

  20. Impurity-induced moments in underdoped cuprates

    SciTech Connect

    Khaliullin, G. |; Kilian, R.; Krivenko, S.; Fulde, P.

    1997-11-01

    We examine the effect of a nonmagnetic impurity in a two-dimensional spin liquid in the spin-gap phase, employing a drone-fermion representation of spin-1/2 operators. The properties of the local moment induced in the vicinity of the impurity are investigated and an expression for the nuclear-magnetic-resonance Knight shift is derived, which we compare with experimental results. Introducing a second impurity into the spin liquid an antiferromagnetic interaction between the moments is found when the two impurities are located on different sublattices. The presence of many impurities leads to a screening of this interaction as is shown by means of a coherent-potential approximation. Further, the Kondo screening of an impurity-induced local spin by charge carriers is discussed. {copyright} {ital 1997} {ital The American Physical Society}

  1. Trace organic impurities in gaseous helium

    NASA Technical Reports Server (NTRS)

    Schehl, T. A.

    1973-01-01

    A program to determine trace organic impurities present in helium has been initiated. The impurities were concentrated in a cryogenic trap to permit detection and identification by a gas chromatographic-mass spectrometric technique. Gaseous helium (GHe) exhibited 63 GC flame ionization response peaks. Relative GC peak heights and identifications of 25 major impurities by their mass spectra are given. As an aid to further investigation, identities are proposed for 16 other components, and their mass spectra are given.

  2. Method for detecting trace impurities in gases

    DOEpatents

    Freund, Samuel M.; Maier, II, William B.; Holland, Redus F.; Beattie, Willard H.

    1981-01-01

    A technique for considerably improving the sensitivity and specificity of infrared spectrometry as applied to quantitative determination of trace impurities in various carrier or solvent gases is presented. A gas to be examined for impurities is liquefied and infrared absorption spectra of the liquid are obtained. Spectral simplification and number densities of impurities in the optical path are substantially higher than are obtainable in similar gas-phase analyses. Carbon dioxide impurity (.about.2 ppm) present in commercial Xe and ppm levels of Freon 12 and vinyl chloride added to liquefied air are used to illustrate the method.

  3. Method for detecting trace impurities in gases

    DOEpatents

    Freund, S.M.; Maier, W.B. II; Holland, R.F.; Beattie, W.H.

    A technique for considerably improving the sensitivity and specificity of infrared spectrometry as applied to quantitative determination of trace impurities in various carrier or solvent gases is presented. A gas to be examined for impurities is liquefied and infrared absorption spectra of the liquid are obtained. Spectral simplification and number densities of impurities in the optical path are substantially higher than are obtainable in similar gas-phase analyses. Carbon dioxide impurity (approx. 2 ppM) present in commercial Xe and ppM levels of Freon 12 and vinyl chloride added to liquefied air are used to illustrate the method.

  4. On collisional impurity transport in nonaxisymmetric plasmas

    NASA Astrophysics Data System (ADS)

    Mollén, A.; Landreman, M.; Smith, H. M.

    2014-11-01

    The presence of impurity species in magnetic confinement fusion devices leads to radiation losses and plasma dilution. Thus it is important to analyze impurity dynamics, and search for means to control them. In stellarator plasmas the neoclassical ambipolar radial electric field often points radially inwards (referred to as the ion root regime), causing impurities to accumulate in the core. This can limit the performance of nonaxisymmetric devices. In the present work we analyze neoclassical impurity transport in stellarator plasmas using a recently developed continuum drift-kinetic solver, the SFINCS code (the Stellarator Fokker- Planck Iterative Neoclassical Conservative Solver). The study is performed for a case close to the edge of W7-X using the standard configuration magnetic geometry. We investigate the sensitivity of impurity transport to impurity charge, main species density and temperature gradients, as well as ion temperature. At the studied radial location we find that the neoclassical impurity peaking factor can be very large, particularly for high-Z impurities. The ambipolar radial electric field is in the ion root regime, and impurity accumulation can thus be expected. The accumulation is strengthened by the large main species density and temperature gradients. Moreover we find that the size of the bootstrap current is affected by the value of the plasma effective charge, suggesting that employing a realistic ion composition can be important when calculating the bootstrap current.

  5. Analytical advances in pharmaceutical impurity profiling.

    PubMed

    Holm, René; Elder, David P

    2016-05-25

    Impurities will be present in all drug substances and drug products, i.e. nothing is 100% pure if one looks in enough depth. The current regulatory guidance on impurities accepts this, and for drug products with a dose of less than 2g/day identification of impurities is set at 0.1% levels and above (ICH Q3B(R2), 2006). For some impurities, this is a simple undertaking as generally available analytical techniques can address the prevailing analytical challenges; whereas, for others this may be much more challenging requiring more sophisticated analytical approaches. The present review provides an insight into current development of analytical techniques to investigate and quantify impurities in drug substances and drug products providing discussion of progress particular within the field of chromatography to ensure separation of and quantification of those related impurities. Further, a section is devoted to the identification of classical impurities, but in addition, inorganic (metal residues) and solid state impurities are also discussed. Risk control strategies for pharmaceutical impurities aligned with several of the ICH guidelines, are also discussed. PMID:26690047

  6. Quantum phase transitions in triangular lattice Heisenberg anti-ferromagnet in a magnetic field

    NASA Astrophysics Data System (ADS)

    Ye, Mengxing; Chubukov, Andrey

    We present the zero temperature phase diagram of a large S Heisenberg anti-ferromagnet on a frustrated triangular lattice with the nearest neighbor (J1) and the next nearest neighbor (J2) interactions, in a magnetic field. We show that the classical model has an ``accidental'' degeneracy for all J2 /J1 and all fields below the saturation field, which gives rise to the extended manifold of the ground state spin configurations. Quantum fluctuations, however, lift this degeneracy. For small J2 /J1 , they select one of three different co-planar states, depending on the field value. We argue that above some critical ratio of J2 /J1 , which weakly depends on a magnetic field, these fluctuations select the stripe phase. We analyze in detail the mechanism of the selection of the stripe phase and explore the nature of the quantum phase transition in a magnetic field between the ordered phases as J2 /J1 passes through a critical value.

  7. Semiclassical initial value representation for the quantum propagator in the Heisenberg interaction representation

    SciTech Connect

    Petersen, Jakob; Pollak, Eli

    2015-12-14

    One of the challenges facing on-the-fly ab initio semiclassical time evolution is the large expense needed to converge the computation. In this paper, we suggest that a significant saving in computational effort may be achieved by employing a semiclassical initial value representation (SCIVR) of the quantum propagator based on the Heisenberg interaction representation. We formulate and test numerically a modification and simplification of the previous semiclassical interaction representation of Shao and Makri [J. Chem. Phys. 113, 3681 (2000)]. The formulation is based on the wavefunction form of the semiclassical propagation instead of the operator form, and so is simpler and cheaper to implement. The semiclassical interaction representation has the advantage that the phase and prefactor vary relatively slowly as compared to the “standard” SCIVR methods. This improves its convergence properties significantly. Using a one-dimensional model system, the approximation is compared with Herman-Kluk’s frozen Gaussian and Heller’s thawed Gaussian approximations. The convergence properties of the interaction representation approach are shown to be favorable and indicate that the interaction representation is a viable way of incorporating on-the-fly force field information within a semiclassical framework.

  8. Semiclassical initial value representation for the quantum propagator in the Heisenberg interaction representation

    NASA Astrophysics Data System (ADS)

    Petersen, Jakob; Pollak, Eli

    2015-12-01

    One of the challenges facing on-the-fly ab initio semiclassical time evolution is the large expense needed to converge the computation. In this paper, we suggest that a significant saving in computational effort may be achieved by employing a semiclassical initial value representation (SCIVR) of the quantum propagator based on the Heisenberg interaction representation. We formulate and test numerically a modification and simplification of the previous semiclassical interaction representation of Shao and Makri [J. Chem. Phys. 113, 3681 (2000)]. The formulation is based on the wavefunction form of the semiclassical propagation instead of the operator form, and so is simpler and cheaper to implement. The semiclassical interaction representation has the advantage that the phase and prefactor vary relatively slowly as compared to the "standard" SCIVR methods. This improves its convergence properties significantly. Using a one-dimensional model system, the approximation is compared with Herman-Kluk's frozen Gaussian and Heller's thawed Gaussian approximations. The convergence properties of the interaction representation approach are shown to be favorable and indicate that the interaction representation is a viable way of incorporating on-the-fly force field information within a semiclassical framework.

  9. Various regimes of quantum behavior in an S=(1)/(2) Heisenberg antiferromagnetic chain with fourfold periodicity

    NASA Astrophysics Data System (ADS)

    Yamaguchi, H.; Okubo, T.; Iwase, K.; Ono, T.; Kono, Y.; Kittaka, S.; Sakakibara, T.; Matsuo, A.; Kindo, K.; Hosokoshi, Y.

    2013-11-01

    We have succeeded in synthesizing single crystals of the verdazyl radical β-3-(2,6-dichlorophenyl)-1,5-diphenylverdazyl. The ab initio molecular orbital calculation indicates the formation of an S=1/2 Heisenberg antiferromagnetic chain with fourfold magnetic periodicity consisting of three types of exchange interactions. We successfully explain the magnetic and thermodynamic properties based on the expected spin model by using the quantum Monte Carlo method. Furthermore, we reveal that the alternating and unique Ising ferromagnetic chains become effective in the specific field regions and observe a cooperative phenomenon caused by the magnetic order and quantum fluctuations. These results demonstrate that the verdazyl radical could form an unconventional spin model with interesting quantum behavior and provide a way to study a variety of quantum spin systems.

  10. Identification and Characterization of Potential Impurities in Raloxifene Hydrochloride

    PubMed Central

    Reddy, Reguri Buchi; Goud, Thirumani Venkateshwar; Nagamani, Nagabushanam; Kumar, Nutakki Pavan; Alagudurai, Anandan; Murugan, Raman; Parthasarathy, Kannabiran; Karthikeyan, Vinayagam; Balaji, Perumal

    2012-01-01

    During the synthesis of the bulk drug Raloxifene hydrochloride, eight impurities were observed, four of which were found to be new. All of the impurities were detected using the gradient high performance liquid chromatographic (HPLC) method, whose area percentages ranged from 0.05 to 0.1%. LCMS was performed to identify the mass number of these impurities, and a systematic study was carried out to characterize them. These impurities were synthesized and characterized by spectral data, subjected to co-injection in HPLC, and were found to be matching with the impurities present in the sample. Based on their spectral data (IR, NMR, and Mass), these impurities were characterized as Raloxifene-N-Oxide [Impurity: 1]; EP impurity A [Impurity: 2]; EP impurity B [Impurity: 3]; Raloxifene Dimer [Impurity: 4]; HABT (6-Acetoxy-2-[4-hydroxyphenyl]-1-benzothiophene or 6-Hydroxy-2-[4-acetoxyphenyl]-1-benzothiophene) [Impurity: 5]; PEBE (Methyl[4-[2-(piperidin-1-yl)ethoxy

  11. Near-Heisenberg-limited atomic clocks in the presence of decoherence.

    PubMed

    Borregaard, J; Sørensen, A S

    2013-08-30

    The ultimate stability of atomic clocks is limited by the quantum noise of the atoms. To reduce this noise it has been suggested to use entangled atomic ensembles with reduced atomic noise. Potentially this can push the stability all the way to the limit allowed by the Heisenberg uncertainty relation, which is denoted the Heisenberg limit. In practice, however, entangled states are often more prone to decoherence, which may prevent reaching this performance. Here we present an adaptive measurement protocol that in the presence of a realistic source of decoherence enables us to get near-Heisenberg-limited stability of atomic clocks using entangled atoms. The protocol may thus realize the full potential of entanglement for quantum metrology despite the detrimental influence of decoherence. PMID:24033016

  12. Off the Beat. An Appreciation of Werner Heisenberg and Some Talk About How Physics Was in the Good Old Days

    ERIC Educational Resources Information Center

    Thomsen, Dietrick E.

    1976-01-01

    Presented is an insight into man's idea about physics and being a physicist in the days when Heisenberg, P. A. M. Dirac, Louis de Broglic and other famous physicists were young men. Heisenberg is compared to Newton, inventing new math as he needed it. Emphasis is placed on the fact that he was not a Nazi sympathizer. (EB)

  13. Suppression of the impurity-induced local magnetism by the opening of a spin pseudogap in Ni-doped Sr2CuO3

    NASA Astrophysics Data System (ADS)

    Utz, Yannic; Hammerath, Franziska; Nishimoto, Satoshi; Hess, Christian; Beesetty, Neela Sekhar; Saint-Martin, Romuald; Revcolevschi, Alexandre; Büchner, Bernd; Grafe, Hans-Joachim

    2015-08-01

    The S =1 /2 antiferromagnetic Heisenberg spin chain compound Sr2CuO3 doped with 1 % and 2 % of Ni impurities has been studied by means of 63Cu nuclear magnetic resonance. A strong decrease of the spin-lattice relaxation rate T1-1 at low temperatures points toward a spin gap, while a stretching exponent λ <1 and a frequency dependence of T1-1 indicate that this spin gap varies spatially and should rather be characterized as a spin pseudogap. The magnitude of the spin pseudogap scales with doping level. Our results therefore evidence the finite-size character of this phenomenon. Moreover, an unusual narrowing of the low-temperature NMR lines reveals the suppression of the impurity-induced staggered paramagnetic response with increasing doping level.

  14. Quasiparticle Properties of a Mobile Impurity in a Bose-Einstein Condensate

    NASA Astrophysics Data System (ADS)

    Christensen, Rasmus Søgaard; Levinsen, Jesper; Bruun, Georg M.

    2015-10-01

    We develop a systematic perturbation theory for the quasiparticle properties of a single impurity immersed in a Bose-Einstein condensate. Analytical results are derived for the impurity energy, effective mass, and residue to third order in the impurity-boson scattering length. The energy is shown to depend logarithmically on the scattering length to third order, whereas the residue and the effective mass are given by analytical power series. When the boson-boson scattering length equals the boson-impurity scattering length, the energy has the same structure as that of a weakly interacting Bose gas, including terms of the Lee-Huang-Yang and fourth order logarithmic form. Our results, which cannot be obtained within the canonical Fröhlich model of an impurity interacting with phonons, provide valuable benchmarks for many-body theories and for experiments.

  15. Inelastic electron tunneling spectrum from surface magnon and magnetic impurity scatterings in magnetic tunnel junctions

    SciTech Connect

    Wei, H. X.; Qin, Q. H.; Ma, Q. L.; Zhang, Xiaoguang; Han, Prof. X. F.

    2010-01-01

    Analytic expressions for contributions to the inelastic electron tunneling spectrum (IETS) from surface magnon scattering and magnetic impurity scattering are obtained. It is shown that surface magnon scattering alone does not lead to peaks in the IETS. The peaks at small bias often observed in the IETS of magnetic junctions are due to magnetic impurity scattering, in agreement with the traditional model for zero bias anomaly. These impurity resonance peaks can sometimes split due to the impurities' magnetic coupling to the electrodes. Measurements of AlO and MgO barrier junctions yield excellent agreement to the theory. The experiment further shows that the magnetic impurities in MgO barriers are strongly coupled to the electrodes but those in AlO barriers are not magnetically coupled to the electrodes.

  16. Kinetic effects on geodesic acoustic mode from combined collisions and impurities

    SciTech Connect

    Yang, Shangchuan; Xie, Jinlin Liu, Wandong

    2015-04-15

    The dispersion relation for geodesic acoustic mode (GAM) is derived by applying a gyrokinetic model that accounts for the effects from both collisions and impurities. Based on the dispersion relation, an analysis is performed for the non-monotonic behavior of GAM damping versus the characteristic collision rate at various impurity levels. As the effective charge increases, the maximum damping rate is found to shift towards lower collision rates, nearer to the parameter range of a typical tokamak edge plasma. The relative strengths of ion-ion and impurity-induced collision effects, which are illustrated by numerical calculations, are found to be comparable. Impurity-induced collisions help decrease the frequency of GAM, while their effects on the damping rate are non-monotonic, resulting in a weaker total damping in the high collision regime. The results presented suggest considering collision effects as well as impurity effects in GAM analysis.

  17. Casimir interaction between mobile impurities in one-dimensional quantum liquids

    NASA Astrophysics Data System (ADS)

    Schecter, Michael; Kamenev, Alex

    2014-03-01

    At zero temperature virtual phonons of a quantum liquid scatter off impurities and mediate a long-range interaction, analogous to the Casimir effect. At finite temperature, moving impurities also experience a correlated friction due to coherent exchange of real phonons. In one dimension the effect is universal and the induced interaction decays as 1 /r3 , much slower than the van der Waals interaction ~ 1 /r6 where r is the impurity separation. The magnitude of the effect is characterized by the product of impurity-phonon scattering amplitudes, which are seen to vanish for the class of integrable impurity models. By tuning the parameters near integrability one can thus observe an attractive interaction turned into a repulsive one.

  18. Phonon-Mediated Casimir Interaction between Mobile Impurities in One-Dimensional Quantum Liquids

    NASA Astrophysics Data System (ADS)

    Schecter, Michael; Kamenev, Alex

    2014-04-01

    Virtual phonons of a quantum liquid scatter off impurities and mediate a long-range interaction, analogous to the Casimir effect. In one dimension the effect is universal and the induced interaction decays as 1/r3, much slower than the van der Waals interaction ˜1/r6, where r is the impurity separation. The sign of the effect is characterized by the product of impurity-phonon scattering amplitudes, which take a universal form and have been seen to vanish for several integrable impurity models. Thus, if the impurity parameters can be independently tuned to lie on opposite sides of such integrable points, one can observe an attractive interaction turned into a repulsive one.

  19. Quasiparticle Properties of a Mobile Impurity in a Bose-Einstein Condensate.

    PubMed

    Christensen, Rasmus Søgaard; Levinsen, Jesper; Bruun, Georg M

    2015-10-16

    We develop a systematic perturbation theory for the quasiparticle properties of a single impurity immersed in a Bose-Einstein condensate. Analytical results are derived for the impurity energy, effective mass, and residue to third order in the impurity-boson scattering length. The energy is shown to depend logarithmically on the scattering length to third order, whereas the residue and the effective mass are given by analytical power series. When the boson-boson scattering length equals the boson-impurity scattering length, the energy has the same structure as that of a weakly interacting Bose gas, including terms of the Lee-Huang-Yang and fourth order logarithmic form. Our results, which cannot be obtained within the canonical Fröhlich model of an impurity interacting with phonons, provide valuable benchmarks for many-body theories and for experiments. PMID:26550852

  20. Heisenberg-limited interferometry with pair coherent states and parity measurements

    SciTech Connect

    Gerry, Christopher C.; Mimih, Jihane

    2010-07-15

    After reviewing parity-measurement-based interferometry with twin Fock states, which allows for supersensitivity (Heisenberg limited) and super-resolution, we consider interferometry with two different superpositions of twin Fock states, namely, two-mode squeezed vacuum states and pair coherent states. This study is motivated by the experimental challenge of producing twin Fock states on opposite sides of a beam splitter. We find that input two-mode squeezed states, while allowing for Heisenberg-limited sensitivity, do not yield super-resolutions, whereas both are possible with input pair coherent states.

  1. A Heisenberg Algebra Bundle of a Vector Field in Three-Space and its Weyl Quantization

    SciTech Connect

    Binz, Ernst; Pods, Sonja

    2006-01-04

    In these notes we associate a natural Heisenberg group bundle Ha with a singularity free smooth vector field X = (id,a) on a submanifold M in a Euclidean three-space. This bundle yields naturally an infinite dimensional Heisenberg group H{sub X}{sup {infinity}}. A representation of the C*-group algebra of H{sub X}{sup {infinity}} is a quantization. It causes a natural Weyl-deformation quantization of X. The influence of the topological structure of M on this quantization is encoded in the Chern class of a canonical complex line bundle inside Ha.

  2. Numerical study of localized impurity in a Bose-Einstein condensate

    NASA Astrophysics Data System (ADS)

    Akram, Javed; Pelster, Axel

    2016-03-01

    Motivated by recent experiments, we investigate a single 133 Cs impurity in the center of a trapped 87 Rb Bose-Einstein condensate (BEC). Within a zero-temperature mean-field description we provide a one-dimensional physical intuitive model which involves two coupled differential equations for the condensate and the impurity wave function, which we solve numerically. With this we determine within the equilibrium phase diagram spanned by the intra- and interspecies coupling strength whether the impurity is localized at the trap center or expelled to the condensate border. In the former case we find that the impurity induces a bump or dip on the condensate for an attractive or a repulsive Rb-Cs interaction strength, respectively. Conversely, the condensate environment leads to an effective mass of the impurity which increases quadratically for small interspecies interaction strength. Afterwards, we investigate how the impurity imprint upon the condensate wave function evolves for two quench scenarios. At first we consider the case that the harmonic confinement is released. During the resulting time-of-flight expansion it turns out that the impurity-induced bump in the condensate wave function starts decaying marginally, whereas the dip decays with a characteristic time scale which decreases with increasing repulsive impurity-BEC interaction strength. Second, once the attractive or repulsive interspecies coupling constant is switched off, we find that white-shock waves or bisolitons emerge which both oscillate within the harmonic confinement with a characteristic frequency.

  3. Effect of Nonmagnetic Impurity in Nearly Antiferromagnetic Fermi Liquid: Magnetic Correlations and Transport Phenomena

    NASA Astrophysics Data System (ADS)

    Kontani, Hiroshi; Ohno, Masanori

    2007-03-01

    In nearly AF metals such as high-Tc superconductors (HTSCs), heavy fermion systems and organic superconductors, a single nonmagnetic impurity frequently causes nontrivial widespread change of the electronic states. To elucidate this long-standing issue, we study a Hubbard model with a strong onsite impurity potential based on an improved fluctuation-exchange (FLEX) approximation, which we call the GV^I-FLEX method. We find that (i) both local and staggered susceptibilities are strongly enhanced around the impurity. By this reason, (ii) the quasiparticle lifetime as well as the local DOS are strongly suppressed in a wide area around the impurity (like a Swiss cheese hole), which causes the ``huge residual resistivity'' beyond the s-wave unitary scattering limit. We stress that the excess quasiparticle damping rate caused by impurities has strong momentum-dependence due to non-s-wave scatterings induced by many-body effects, so the structure of the ``hot spot/cold spot'' in the host system persists against impurity doping. This result could be examined by the ARPES measurements. In addition, (iii) only a few percent of impurities can causes a ``Kondo-like'' upturn of resistivity (dρ/dT<0) at low temperatures when the system is very close to the AF quantum critical point (QCP). We also discuss the impurity effect in the superconducting state.

  4. Natural orbitals renormalization group approach to the two-impurity Kondo critical point

    NASA Astrophysics Data System (ADS)

    He, Rong-Qiang; Dai, Jianhui; Lu, Zhong-Yi

    2015-04-01

    The problem of two magnetic impurities in a normal metal exposes the two opposite tendencies in the formation of a singlet ground state, driven respectively by the single-ion Kondo effect with conduction electrons to screen impurity spins or the Ruderman-Kittel-Kasuya-Yosida interaction between the two impurities to directly form impurity spin singlet. However, whether the competition between these two tendencies can lead to a quantum critical point has been debated over more than two decades. Here, we study this problem by applying the newly proposed natural orbitals renormalization group method to a lattice version of the two-impurity Kondo model with a direct exchange K between the two impurity spins. The method allows for unbiased access to the ground state wave functions and low-lying excitations for sufficiently large system sizes. We demonstrate the existence of a quantum critical point, characterized by the power-law divergence of impurity staggered susceptibility with critical exponent γ =0.60 (1 ) , on the antiferromagnetic side of K when the interimpurity distance R is even lattice spacing, while a crossover behavior is recovered when R is odd lattice spacing. These results have ultimately resolved the long-standing discrepancy between the numerical renormalization group and quantum Monte Carlo studies, confirming a link of this two-impurity Kondo critical point to a hidden particle-hole symmetry predicted by the local Fermi liquid theory.

  5. Is the solvation parameter model or its adaptations adequate to account for ionic interactions when characterizing stationary phases for drug impurity profiling with supercritical fluid chromatography?

    PubMed

    Galea, Charlene; West, Caroline; Mangelings, Debby; Vander Heyden, Yvan

    2016-06-14

    Nine commercially available polar and aromatic stationary phases were characterized under supercritical fluid chromatographic (SFC) conditions. Retention data of 64 pharmaceutical compounds was acquired to generate models based on the linear solvation energy relationship (LSER) approach. Previously, adaptation of the LSER model was done in liquid chromatography by the addition of two solute descriptors to describe the influence of positive (D(+)) and negative (D(-)) charges on the retention of ionized compounds. In this study, the LSER models, with and without the ionization terms for acidic and basic solutes, were compared. The improved fits obtained for the modified models support inclusion of the D(+) and D(-) terms for pharmaceutical compounds. Moreover, the statistical significance of the new terms in the models indicates the importance of ionic interactions in the retention of pharmaceutical compounds in SFC. However, unlike characterization through the retention profiles, characterization of the stationary phases by modelling never explains the retention variance completely and thus seems less appropriate. PMID:27181639

  6. Eliminating Impurity Traps in the Silane Process

    NASA Technical Reports Server (NTRS)

    Coleman, L. M.

    1982-01-01

    Redistribution reaction section of silane process progressively separates heavier parts of chlorosilane feedstock until light silane product is available for pyrolysis. Small amount of liquid containing impurities is withdrawn from processing stages in which trapping occurs and passed to earlier processing stage in which impurities tend to be removed via chemical reactions.

  7. Cryogenic Laser Calorimetry for Impurity Analysis

    NASA Technical Reports Server (NTRS)

    Swimm, R. T.

    1985-01-01

    The results of a one-year effort to determine the applicability of laser-calorimetric spectroscopy to the study of deep-level impurities in silicon are presented. Critical considerations for impurity analysis by laser-calorimetric spectroscopy are discussed, the design and performance of a cryogenic laser calorimeter is described, and measurements of background absorption in high-purity silicon are presented.

  8. Effect of a nonmagnetic impurity in a nearly antiferromagnetic Fermi liquid: Magnetic correlations and transport phenomena

    NASA Astrophysics Data System (ADS)

    Kontani, Hiroshi; Ohno, Masanori

    2006-07-01

    In nearly antiferromagnetic (AF) metals such as high- Tc superconductors (HTSCs), a single nonmagnetic impurity frequently causes nontrivial widespread change of the electronic states. To elucidate this long-standing issue, we study a Hubbard model with a strong onsite impurity potential based on an improved fluctuation-exchange (FLEX) approximation, which we call the GVI -FLEX method. This model corresponds to the HTSC with dilute nonmagnetic impurity concentration. We find that (i) both local and staggered susceptibilities are strongly enhanced around the impurity. By this reason, (ii) the quasiparticle lifetime as well as the local density of states are strongly suppressed in a wide area around the impurity (like a Swiss cheese hole), which causes the “huge residual resistivity” beyond the s -wave unitary scattering limit. We stress that the excess quasiparticle damping rate caused by impurities has strong k -dependence due to non- s -wave scatterings induced by many-body effects, so the structure of the “hot spot/cold spot” in the host system persists against impurity doping. This result could be examined by the ARPES measurements. In addition, (iii) only a few percent of impurities can cause a “Kondo-like” upturn of resistivity (dρ/dT<0) at low T when the system is very close to the AF quantum critical point. The results (i)-(iii) obtained in the present study, which cannot be derived by the simple FLEX approximation, naturally explain the main impurity effects in HTSCs. We also discuss the impurity effect in heavy fermion systems and organic superconductors.

  9. Improving the accuracy of Weyl-Heisenberg wavelet and symmetrized Gaussian representations using customized phase-space-region operators.

    PubMed

    Lombardini, Richard; Poirier, Bill

    2006-09-01

    A particular basis set method developed by one of the authors, involving maximally localized orthogonal Weyl-Heisenberg wavelets (or "weylets") and a phase space truncation scheme, has been successfully applied to exact quantum calculations for many degrees of freedom (DOF's) [B. Poirier and A. Salam, J. Chem. Phys. 121, 1740 (2004)]. However, limitations in accuracy arise in the many-DOF case, owing to memory limits on conventional computers. This paper addresses this accuracy limitation by introducing phase space region operators (PSRO's) that customize individual weylet basis functions for the problem of interest. The construction of the PSRO's is straightforward, and does not require a priori knowledge of the desired eigenstates. The PSRO, when applied to weylets, as well as to simple phase space Gaussian basis functions, exhibits remarkable improvements in accuracy, reducing computed eigenvalue errors by orders of magnitude. The method is applied to various model systems at varying DOF's. PMID:17025784

  10. Exactly solvable spin-1 Ising-Heisenberg diamond chain with the second-neighbor interaction between nodal spins.

    PubMed

    Hovhannisyan, V V; Strečka, J; Ananikian, N S

    2016-03-01

    The spin-1 Ising-Heisenberg diamond chain with the second-neighbor interaction between nodal spins is rigorously solved using the transfer-matrix method. In particular, exact results for the ground state, magnetization process and specific heat are presented and discussed. It is shown that further-neighbor interaction between nodal spins gives rise to three novel ground states with a translationally broken symmetry, but at the same time, does not increases the total number of intermediate plateaus in a zero-temperature magnetization curve compared with the simplified model without this interaction term. The zero-field specific heat displays interesting thermal dependencies with a single- or double-peak structure. PMID:26836749

  11. Exactly solvable spin-1 Ising-Heisenberg diamond chain with the second-neighbor interaction between nodal spins

    NASA Astrophysics Data System (ADS)

    Hovhannisyan, V. V.; Strečka, J.; Ananikian, N. S.

    2016-03-01

    The spin-1 Ising-Heisenberg diamond chain with the second-neighbor interaction between nodal spins is rigorously solved using the transfer-matrix method. In particular, exact results for the ground state, magnetization process and specific heat are presented and discussed. It is shown that further-neighbor interaction between nodal spins gives rise to three novel ground states with a translationally broken symmetry, but at the same time, does not increases the total number of intermediate plateaus in a zero-temperature magnetization curve compared with the simplified model without this interaction term. The zero-field specific heat displays interesting thermal dependencies with a single- or double-peak structure.

  12. Silicon materials task of the Low Cost Solar Array Project: Effect of impurities and processing on silicon solar cells

    NASA Technical Reports Server (NTRS)

    Hopkins, R. H.; Davis, J. R.; Rohatgi, A.; Hanes, M. H.; Rai-Choudhury, P.; Mollenkopf, H. C.

    1982-01-01

    The effects of impurities and processing on the characteristics of silicon and terrestrial silicon solar cells were defined in order to develop cost benefit relationships for the use of cheaper, less pure solar grades of silicon. The amount of concentrations of commonly encountered impurities that can be tolerated in typical p or n base solar cells was established, then a preliminary analytical model from which the cell performance could be projected depending on the kinds and amounts of contaminants in the silicon base material was developed. The impurity data base was expanded to include construction materials, and the impurity performace model was refined to account for additional effects such as base resistivity, grain boundary interactions, thermal processing, synergic behavior, and nonuniform impurity distributions. A preliminary assessment of long term (aging) behavior of impurities was also undertaken.

  13. Spin liquid nature in the Heisenberg J1-J2 triangular antiferromagnet

    NASA Astrophysics Data System (ADS)

    Iqbal, Yasir; Hu, Wen-Jun; Thomale, Ronny; Poilblanc, Didier; Becca, Federico

    2016-04-01

    We investigate the spin-1/2 Heisenberg model on the triangular lattice in the presence of nearest-neighbor J1 and next-nearest-neighbor J2 antiferromagnetic couplings. Motivated by recent findings from density-matrix renormalization group (DMRG) claiming the existence of a gapped spin liquid with signatures of spontaneously broken lattice point group symmetry [Zhu and White, Phys. Rev. B 92, 041105 (2015), 10.1103/PhysRevB.92.041105 and Hu, Gong, Zhu, and Sheng, Phys. Rev. B 92, 140403 (2015), 10.1103/PhysRevB.92.140403], we employ the variational Monte Carlo (VMC) approach to analyze the model from an alternative perspective that considers both magnetically ordered and paramagnetic trial states. We find a quantum paramagnet in the regime 0.08 ≲J2/J1≲0.16 , framed by 120∘ coplanar (stripe collinear) antiferromagnetic order for smaller (larger) J2/J1 . By considering the optimization of spin-liquid wave functions of a different gauge group and lattice point group content as derived from Abrikosov mean-field theory, we obtain the gapless U(1 ) Dirac spin liquid as the energetically most preferable state in comparison to all symmetric or nematic gapped Z2 spin liquids so far advocated by DMRG. Moreover, by the application of few Lanczos iterations, we find the energy to be the same as the DMRG result within error bars. To further resolve the intriguing disagreement between VMC and DMRG, we complement our methodological approach by the pseudofermion functional renormalization group (PFFRG) to compare the spin structure factors for the paramagnetic regime calculated by VMC, DMRG, and PFFRG. This model promises to be an ideal test bed for future numerical refinements in tracking the long-range correlations in frustrated magnets.

  14. Electronic structure of copper, silver, and gold impurities in silicon

    SciTech Connect

    Fazzio, A.; Caldas, M.J.; Zunger, A.

    1985-07-15

    The electronic structure of Cu, Ag, and Au impurities in silicon is studied self-consistently using the quasiband crystal-field Green's-function method. We find that a substitutional model results in a two-level (acceptor and donor), three-charge-state (A/sup +/, A/sup 0/, and A/sup -/) system, which suggests that these defects are amphoteric. Our results show that these substitutional impurities form e-type and t/sub 2/-type crystal-field resonances (CFR) near the center of the valence band and a dangling-bond hybrid (DBH) t/sub 2/ level in the gap. The e/sup CFR/ and t/sub 2//sup CFR/ states are fully occupied and represent the perturbed and hybridized impurity atomic orbitals (not simply a ''d/sup 10/'' configuration). They are magnetically and electrically inactive but are predicted to be optically active in the uv, producing both impurity-bound core excitons as well as localized-to-itinerant

  15. Continuous-time quantum Monte Carlo impurity solvers

    NASA Astrophysics Data System (ADS)

    Gull, Emanuel; Werner, Philipp; Fuchs, Sebastian; Surer, Brigitte; Pruschke, Thomas; Troyer, Matthias

    2011-04-01

    Continuous-time quantum Monte Carlo impurity solvers are algorithms that sample the partition function of an impurity model using diagrammatic Monte Carlo techniques. The present paper describes codes that implement the interaction expansion algorithm originally developed by Rubtsov, Savkin, and Lichtenstein, as well as the hybridization expansion method developed by Werner, Millis, Troyer, et al. These impurity solvers are part of the ALPS-DMFT application package and are accompanied by an implementation of dynamical mean-field self-consistency equations for (single orbital single site) dynamical mean-field problems with arbitrary densities of states. Program summaryProgram title: dmft Catalogue identifier: AEIL_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEIL_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: ALPS LIBRARY LICENSE version 1.1 No. of lines in distributed program, including test data, etc.: 899 806 No. of bytes in distributed program, including test data, etc.: 32 153 916 Distribution format: tar.gz Programming language: C++ Operating system: The ALPS libraries have been tested on the following platforms and compilers: Linux with GNU Compiler Collection (g++ version 3.1 and higher), and Intel C++ Compiler (icc version 7.0 and higher) MacOS X with GNU Compiler (g++ Apple-version 3.1, 3.3 and 4.0) IBM AIX with Visual Age C++ (xlC version 6.0) and GNU (g++ version 3.1 and higher) compilers Compaq Tru64 UNIX with Compq C++ Compiler (cxx) SGI IRIX with MIPSpro C++ Compiler (CC) HP-UX with HP C++ Compiler (aCC) Windows with Cygwin or coLinux platforms and GNU Compiler Collection (g++ version 3.1 and higher) RAM: 10 MB-1 GB Classification: 7.3 External routines: ALPS [1], BLAS/LAPACK, HDF5 Nature of problem: (See [2].) Quantum impurity models describe an atom or molecule embedded in a host material with which it can exchange electrons. They are basic to nanoscience as

  16. Final Report - Effects of Impurities on Fuel Cell Performance and Durability

    SciTech Connect

    Trent Molter

    2012-08-18

    This program is focused on the experimental determination of the effects of key hydrogen side impurities on the performance of PEM fuel cells. Experimental data has been leveraged to create mathematical models that predict the performance of PEM fuel cells that are exposed to specific impurity streams. These models are validated through laboratory experimentation and utilized to develop novel technologies for mitigating the effects of contamination on fuel cell performance. Results are publicly disseminated through papers, conference presentations, and other means.

  17. Bloch Walls and Macroscopic String States in Bethe's Solution of the Heisenberg Ferromagnetic Linear Chain

    NASA Astrophysics Data System (ADS)

    Dhar, Abhishek; Sriram Shastry, B.

    2000-09-01

    We present a calculation of the lowest excited states of the Heisenberg ferromagnet in 1D for any wave vector. These turn out to be string solutions of Bethe's equations with a macroscopic number of particles in them. They are identified as generalized quantum Bloch wall states, and a simple physical picture is provided for the same.

  18. Studying the thermally entangled state of a three-qubit Heisenberg XX ring via quantum teleportation

    SciTech Connect

    Yeo, Ye

    2003-08-01

    We consider quantum teleportation as a tool to investigate the thermally entangled state of a three-qubit Heisenberg XX ring. Our investigation reveals interesting aspects of quantum entanglement not reflected by the pairwise thermal concurrence of the state. In particular, two mixtures of different pairs of W states, which result in the same concurrence, could yield very different average teleportation fidelities.

  19. Heisenberg-like and Fisher-information-based uncertainty relations for N -electron d -dimensional systems

    NASA Astrophysics Data System (ADS)

    Toranzo, I. V.; López-Rosa, S.; Esquivel, R. O.; Dehesa, J. S.

    2015-06-01

    Heisenberg-like and Fisher-information-based uncertainty relations which extend and generalize previous similar expressions are obtained for N -fermion d -dimensional systems. The contributions of both spatial and spin degrees of freedom are taken into account. The accuracy of some of these generalized spinned uncertainty-like relations is numerically examined for a large number of atomic and molecular systems.

  20. While Heisenberg Is Not Looking: The Strength of "Weak Measurements" in Educational Research

    ERIC Educational Resources Information Center

    Geelan, David R.

    2015-01-01

    The concept of "weak measurements" in quantum physics is a way of "cheating" the Uncertainty Principle. Heisenberg stated (and 85 years of experiments have demonstrated) that it is impossible to know both the position and momentum of a particle with arbitrary precision. More precise measurements of one decrease the precision…

  1. Numerical calculations for Heisenberg ferromagnet on honeycomb lattice using Oguchi’s method

    SciTech Connect

    Mert, Gülistan; Mert, H. Şevki

    2015-03-10

    Magnetic properties such as the magnetization, internal energy and specific heat for Heisenberg ferromagnet with spin - 1/2 on honeycomb lattice are have been calculated using Oguchi’s method. We have found that the magnetic specific heat exhibits two peaks.

  2. Permutation-parity exchange at a beam splitter: Application to Heisenberg-limited interferometry

    SciTech Connect

    Campos, Richard A.; Gerry, Christopher C.

    2005-12-15

    Quantum-optical permutation and parity observables are unitarily exchanged by a 50:50 beam splitter. Bosonic coalescence effects are reexamined from this point of view. We show that photon-number resolving counters behind a beam splitter define a permutation detector for the input optical field. With suitable phase encoding, the detector also enables Heisenberg-limited interferometry.

  3. a Path-Integration Approach to the Correlators of XY Heisenberg Magnet and Random Walks

    NASA Astrophysics Data System (ADS)

    Bogoliubov, N. M.; Malyshev, C.

    2008-11-01

    The path integral approach is used for the calculation of the correlation functions of the XY Heisenberg chain. The obtained answers for the two-point correlators of the XX magnet are of the determinantal form and are interpreted in terms of the generating functions for the random turns vicious walkers.

  4. The Taylor spectrum and transversality for a Heisenberg algebra of operators

    SciTech Connect

    Dosi, Anar A

    2010-05-11

    A problem on noncommutative holomorphic functional calculus is considered for a Banach module over a finite-dimensional nilpotent Lie algebra. As the main result, the transversality property of algebras of noncommutative holomorphic functions with respect to the Taylor spectrum is established for a family of bounded linear operators generating a Heisenberg algebra. Bibliography: 25 titles.

  5. Paramagnetic Attraction of Impurity-Helium Solids

    NASA Technical Reports Server (NTRS)

    Bernard, E. P.; Boltnev, R. E.; Khmelenko, V. V.; Lee, D. M.

    2003-01-01

    Impurity-helium solids are formed when a mixture of impurity and helium gases enters a volume of superfluid helium. Typical choices of impurity gas are hydrogen deuteride, deuterium, nitrogen, neon and argon, or a mixture of these. These solids consist of individual impurity atoms and molecules as well as clusters of impurity atoms and molecules covered with layers of solidified helium. The clusters have an imperfect crystalline structure and diameters ranging up to 90 angstroms, depending somewhat on the choice of impurity. Immediately following formation the clusters aggregate into loosely connected porous solids that are submerged in and completely permeated by the liquid helium. Im-He solids are extremely effective at stabilizing high concentrations of free radicals, which can be introduced by applying a high power RF dis- charge to the impurity gas mixture just before it strikes the super fluid helium. Average concentrations of 10(exp 19) nitrogen atoms/cc and 5 x 10(exp 18) deuterium atoms/cc can be achieved this way. It shows a typical sample formed from a mixture of atomic and molecular hydrogen and deuterium. It shows typical sample formed from atomic and molecular nitrogen. Much of the stability of Im-He solids is attributed to their very large surface area to volume ratio and their permeation by super fluid helium. Heat resulting from a chance meeting and recombination of free radicals is quickly dissipated by the super fluid helium instead of thermally promoting the diffusion of other nearby free radicals.

  6. Direct Visualization of an Impurity Depletion Zone

    NASA Technical Reports Server (NTRS)

    Chernov, Alex A.; Garcia-Ruiz, Juan Ma; Thomas, Bill R.

    2000-01-01

    When a crystal incorporates more impurity per unit of its volume than the impurity concentration in solution, the solution in vicinity of the growing crystal is depleted with respect to the impurity I,2. With a stagnant solution, e. g. in microgravity or gels, an impurity depletion zone expands as the crystal grows and results in greater purity in most of the outer portion of the crystal than in the core. Crystallization in gel provides an opportunity to mimic microgravity conditions and visualize the impurity depletion zone. Colorless, transparent apoferritin (M congruent to 450 KDa) crystals were grown in the presence of red holoferritin dimer as a microheterogeneous impurity (M congruent to 900 KDa) within agarose gel by counterdiffusion with Cd(2+) precipitant. Preferential trapping of dimers, (distribution coefficient K = 4 (exp 1,2)) results in weaker red color around the crystals grown in the left tube in the figure as compared to the control middle tube without crystals. The left and the middle tubes contain colored ferritin dimers, the right tube contains colored trimers. The meniscus in the left tube separate gel (below) and liquid solution containing Cd(2+) (above). Similar solutions, though without precipitants, were present on top of the middle and right tube allowing diffusion of dimers and trimers. The area of weaker color intensity around crystals directly demonstrates overlapped impurity depletion zones.

  7. Effect of inactive impurities on the burning of ICF targets

    SciTech Connect

    Gus'kov, S. Yu.; Il'in, D. V.; Sherman, V. E.

    2011-12-15

    The efficiency of thermonuclear burning of the spherical deuterium-tritium (DT) plasma of inertial confinement fusion (ICF) targets in the presence of low-Z impurities (such as lithium, carbon, or beryllium) with arbitrary concentrations is investigated. The effect of impurities produced due to the mixing of the thermonuclear fuel with the material of the structural elements of the target during its compression on the process of target burning is studied, and the possibility of using solid noncryogenic thermonuclear fuels in ICF targets is analyzed. Analytical dependences of the ignition energy and target thermonuclear gain on the impurity concentration are obtained. The models are constructed for homogeneous and inhomogeneous plasmas for the case in which the burning is initiated in the central heated region of the target and then propagates into the surrounding relatively cold fuel. Two possible configurations of an inhomogeneous plasma, namely, an isobaric configuration formed in the case of spark ignition of the target and an isochoric configuration formed in the case of fast ignition, are considered. The results of numerical simulations of the burning of the DT plasma of ICF targets in a wide range of impurity concentrations are presented. The simulations were performed using the TEPA one-dimensional code, in which the thermonuclear burning kinetics is calculated by the Monte Carlo method. It is shown that the strongest negative effect related to the presence of impurities is an increase in the energy of target ignition. It is substantiated that the most promising solid noncryogenic fuel is DT hydride of beryllium (BeDT). The requirements to the plasma parameters at which BeDT can be used as a fuel in noncryogenic ICF targets are determined. Variants of using noncryogenic targets with a solid thermonuclear fuel are proposed.

  8. Tunneling spectroscopy of a phosphorus impurity atom on the Ge(111)-(2 × 1) surface

    SciTech Connect

    Savinov, S. V.; Oreshkin, A. I. E-mail: oreshkin@spmlab.ru; Oreshkin, S. I.; Haesendonck, C. van

    2015-06-15

    We numerically model the Ge(111)-(2 × 1) surface electronic properties in the vicinity of a P donor impurity atom located near the surface. We find a notable increase in the surface local density of states (LDOS) around the surface dopant near the bottom of the empty surface state band π*, which we call a split state due to its limited spatial extent and energetic position inside the band gap. We show that despite the well-established bulk donor impurity energy level position at the very bottom of the conduction band, a surface donor impurity on the Ge(111)-(2 × 1) surface might produce an energy level below the Fermi energy, depending on the impurity atom local environment. It is demonstrated that the impurity located in subsurface atomic layers is visible in a scanning tunneling microscope (STM) experiment on the Ge(111)-(2 × 1) surface. The quasi-1D character of the impurity image, observed in STM experiments, is confirmed by our computer simulations with a note that a few π-bonded dimer rows may be affected by the presence of the impurity atom. We elaborate a model that allows classifying atoms on the experimental low-temperature STM image. We show the presence of spatial oscillations of the LDOS by the density-functional theory method.

  9. An introduction to blocked impurity band detectors

    NASA Technical Reports Server (NTRS)

    Geist, Jon

    1988-01-01

    Blocked impurity band detectors fabricated using standard silicon technologies offer the possibility of combining high sensitivity and high accuracy in a single detector operating in a low background environment. The solid state photomultiplier described by Petroff et al., which is a new type of blocked impurity band detector, offers even higher sensitivity as well as operation in the visible spectral region. The principle of operation and possible application of blocked impurity band detectors for stellar seismology and the search for extra-solar planets are described.

  10. Thermal entanglement of the Ising-Heisenberg diamond chain with Dzyaloshinskii-Moriya interaction

    NASA Astrophysics Data System (ADS)

    Qiao, Jie; Zhou, Bin

    2015-11-01

    We investigate the thermal entanglement in a spin-1/2 Ising-Heisenberg diamond chain, in which the vertical Heisenberg spin dimers alternate with single Ising spins. Due to the fact that the Dzyaloshinskii-Moriya (DM) interaction contributes to unusual and interesting magnetic properties in actual materials, and moreover it plays a significant role in the degree of the entanglement of the Heisenberg quantum spin systems, we focus on the effects of different DM interactions, including Dz and Dx, on the thermal entanglement of the Heisenberg spin dimer. The concurrence, as a measure of spin dimer entanglement, is calculated for different values of exchange interactions, DM interaction, external magnetic field, and temperature. It is found that the critical temperature and the critical magnetic field corresponding to the vanishing of entanglement increase with DM interaction, and the entanglement revival region gets larger by increasing DM interaction, thus DM interaction favors the formation of the thermal entanglement. It is observed that different DM interaction parameters (Dz and Dx) have remarkably different influences on the entanglement. Different from the case Dz, there is the non-monotonic variation of the concurrence with temperature in the case Dx, and additionally the DM interaction Dx can induce the entanglement near zero temperature in the case that the antiferromagnetic Ising-type interaction constant is larger than the antiferromagnetic Heisenberg interaction constant. It is also shown that for the same value of DM interaction the critical magnetic field of the case Dx is larger than that of the case Dz. Project supported by the National Natural Science Foundation of China (Grant No. 11274102), the New Century Excellent Talents in University of Ministry of Education of China (Grant No. NCET-11-0960), and the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20134208110001).

  11. Multiple magnetic impurities on surfaces: Scattering and quasiparticle interference

    NASA Astrophysics Data System (ADS)

    Mitchell, Andrew K.; Derry, Philip G.; Logan, David E.

    2015-06-01

    We study systems of multiple interacting quantum impurities deposited on a metallic surface in a three-dimensional host. For the real-space two-impurity problem, using numerical renormalization group calculations, a rich range of behavior is shown to arise due to the interplay between Kondo physics and effective Ruderman-Kittel-Kasuya-Yosida interactions—provided the impurity separation is small. Such calculations allow identification of the minimum impurity separation required for a description in terms of independent impurities, and thereby the onset of the "dilute-impurity limit" in many-impurity systems. A "dilute-cluster" limit is also identified in systems with higher impurity density, where interimpurity interactions are important only within independent clusters. We calculate the quasiparticle interference due to two and many impurities, and explore the consequences of the independent impurity and cluster paradigms. Our results provide a framework to investigate the effects of disorder due to interacting impurities at experimentally relevant surface coverages.

  12. Modeling CO{sub 2}-Brine-Rock Interaction Including Mercury and H{sub 2}S Impurities in the Context of CO{sub 2} Geologic Storage

    SciTech Connect

    Spycher, N.; Oldenburg, C. M.

    2014-01-01

    This study uses modeling and simulation approaches to investigate the impacts on injectivity of trace amounts of mercury (Hg) in a carbon dioxide (CO{sub 2}) stream injected for geologic carbon sequestration in a sandstone reservoir at ~2.5 km depth. At the range of Hg concentrations expected (7-190 ppbV, or ~ 0.06-1.6 mg/std.m{sup 3}CO{sub 2}), the total volumetric plugging that could occur due to complete condensation of Hg, or due to complete precipitation of Hg as cinnabar, results in a very small porosity change. In addition, Hg concentration much higher than the concentrations considered here would be required for Hg condensation to even occur. Concentration of aqueous Hg by water evaporation into CO{sub 2} is also unlikely because the higher volatility of Hg relative to H{sub 2}O at reservoir conditions prevents the Hg concentration from increasing in groundwater as dry CO{sub 2} sweeps through, volatilizing both H{sub 2}O and Hg. Using a model-derived aqueous solution to represent the formation water, batch reactive geochemical modeling show that the reaction of the formation water with the CO{sub 2}-Hg mixture causes the pH to drop to about 4.7 and then become buffered near 5.2 upon reaction with the sediments, with a negligible net volume change from mineral dissolution and precipitation. Cinnabar (HgS(s)) is found to be thermodynamically stable as soon as the Hg-bearing CO{sub 2} reacts with the formation water which contains small amounts of dissolved sulfide. Liquid mercury (Hg(l)) is not found to be thermodynamically stable at any point during the simulation. Two-dimensional radial reactive transport simulations of CO{sub 2} injection at a rate of 14.8 kg/s into a 400 m-thick formation at isothermal conditions of 106°C and average pressure near 215 bar, with varying amounts of Hg and H{sub 2}S trace gases, show generally that porosity changes only by about ±0.05% (absolute, i.e., new porosity = initial porosity ±0.0005) with Hg predicted to readily

  13. Impurity Particle Transport in High Confinement Regimes Without ELMs on DIII-D

    NASA Astrophysics Data System (ADS)

    Grierson, B. A.

    2014-10-01

    Recent experiments on DIII-D using trace levels of fluorine gas injection have shown that high confinement regimes without ELMs can achieve rapid transport of impurity ions. Much attention has recently been given to regimes with H-mode energy confinement without edge-localized modes (ELMs), accessed either through Resonant Magnetic Perturbations (RMPs) or MHD such as edge harmonic oscillations or quasi-coherent edge oscillations. Experiments on DIII-D have used gas puffing of trace levels of fluorine to introduce this fully-stripped, non-intrinsic and non-recycling impurity that can be easily measured with charge-exchange recombination spectroscopy. Trace fluorine is used because the time-history of the fluorine density profile permits direct extraction of the confinement time, particle diffusivity and convective velocity without relying on atomic modeling or assumptions about the source recycling. Results indicate impurity accumulation is more pronounced in RMP ELM suppressed plasmas with a pure n = 3 spectrum compared with mixed n = 1 and n = 3 RMP fields with reduced number of control coils. In cases where strong central carbon impurity accumulation occurs, trace fluorine analysis reveals a strong inward impurity pinch. Conversely, in plasmas with weak central carbon accumulation, the fluorine pinch is significantly lower. These measurements of impurity influx are consistent with TGLF modeling of the ELM-suppressed phase of the discharge revealing that strong impurity influx occurs when the ratio V/D is between -1 to -3. In this work, the dependencies of impurity transport on local driving gradients will be presented, and the means of increasing the impurity diffusion to recover high purity plasmas will be discussed providing a basis for achieving low-dilution, stationary ELM-free operation in ITER and future devices. Supported by the US DOE under DE-AC0-09CH11466 and DE-FC02-05ER54698.

  14. Effect of impurities in the description of surface nanobubbles: Role of nonidealities in the surface layer

    NASA Astrophysics Data System (ADS)

    Das, Siddhartha

    2011-06-01

    In a recent study [S. Das, J. H. Snoeijer, and D. Lohse, Phys. Rev. E1539-375510.1103/PhysRevE.82.056310 82, 056310 (2010)], we provided quantitative demonstration of the conjecture [W. A. Ducker, LangmuirLANGD50743-746310.1021/la902011v 25, 8907 (2009)] that the presence of impurities at the surface layer (or the air-water interface) of surface nanobubbles can substantially lower the gas-side contact angle and the Laplace pressure of the nanobubbles. Through an analytical model for any general air-water interface without nonideality effects, we showed that a large concentration of soluble impurities at the air-water interface of the nanobubbles ensures significantly small contact angles (matching well with the experimental results) and Laplace pressure (though large enough to forbid stability). In this paper this general model is extended to incorporate the effect of nonidealities at the air-water interface in impurity-induced alteration of surface nanobubble properties. Such nonideality effects arise from finite enthalpy or entropy of mixing or finite ionic interactions of the impurity molecules at the nanobubble air-water interface and ensure significant lowering of the nanobubble contact angle and Laplace pressure even at relatively small impurity coverage. In fact for impurity molecules that show enhanced tendency to get adsorbed at the nanobubble air-water interface from the bulk phase, impurity-induced lowering of the nanobubble contact angle is witnessed for extremely small bulk concentration. Surface nanobubble experiments being typically performed in an ultraclean environment, the bulk concentration of impurities is inevitably very small, and in this light the present calculations can be viewed as a satisfactory explanation of the conjecture that impurities, even in trace concentration, have significant impact on surface nanobubbles.

  15. Single impurity in ultracold Fermi superfluids

    SciTech Connect

    Jiang Lei; Baksmaty, Leslie O.; Pu, Han; Hu Hui; Chen Yan

    2011-06-15

    The role of impurities as experimental probes in the detection of quantum material properties is well appreciated. Here we study the effect of a single classical magnetic impurity in trapped ultracold Fermi superfluids. Depending on its shape and strength, a magnetic impurity can induce single or multiple midgap bound states in a superfluid Fermi gas. The multiple midgap states could coincide with the development of a Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) phase within the superfluid. As an analog of the scanning tunneling microsope, we propose a modified rf spectroscopic method to measure the local density of states which can be employed to detect these states and other quantum phases of cold atoms. A key result of our self-consistent Bogoliubov-de Gennes calculations is that a magnetic impurity can controllably induce an FFLO state at currently accessible experimental parameters.

  16. Gyrokinetic simulations of ion and impurity transport

    SciTech Connect

    Estrada-Mila, C.; Candy, J.; Waltz, R.E.

    2005-02-01

    A systematic study of turbulent particle and energy transport in both pure and multicomponent plasmas is presented. In this study, gyrokinetic results from the GYRO code [J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)] are supplemented with those from the GLF23 [R. E. Waltz, G. M. Staebler, W. Dorland et al., Phys. Plasmas 4, 2482 (1997)] transport model, as well as from quasilinear theory. Various results are obtained. The production of a particle pinch driven by temperature gradients (a thermal pinch) is demonstrated, and further shown to be weakened by finite electron collisionality. Helium transport and the effects of helium density gradient and concentration in a deuterium plasma are examined. Interestingly, it is found that the simple D-v (diffusion versus convective velocity) model of impurity flow is consistent with results obtained from nonlinear gyrokinetic simulations. Also studied is the transport in a 50-50 deuterium-tritium plasma, where a symmetry breaking is observed indicating the potential for fuel separation in a burning plasma. Quasilinear theory together with linear simulations shows that the symmetry breaking which enhances the tritium confinement arises largely from finite-Larmor-radius effects. To justify the numerical methods used in the paper, a variety of linear benchmarks and nonlinear grid refinement studies are detailed.

  17. A Model Approach to Flux-Pinning Properties of YBa2Cu 3O7-delta Thin Film Vortex States via Non-Superconducting Impurities

    NASA Astrophysics Data System (ADS)

    Gamble, Ronald S., Jr.

    Thin film YBa2Cu3O7--delta (YBCO) samples with added non-superconducting nanodot defects of CeO 2 and BaSnO2 are the focus of recent high-temperature superconductor studies. These nanodots allow magnetic flux to penetrate at these sites of the superconducting lattice thus creating a magnetic flux vortex state. Examining the structure shows that these quantized magnetic flux vortices arrange themselves in a self-assembled lattice. The nanodots, with non-superconducting properties, serve to present structural properties to restrict motion of these vorticies under a pinning-force and to enhance the critical current density. A formulation of a new model for the system by a variation in the electron pair velocity via the virtual work from the nanodot defects in accordance to the well-known Superconductivity theories is tested. A solution to the expression for the magnetic flux, zero net force and pair velocity will generate a setting for the optimal deposition parameters of number density, growth geometry and mass density of these nanodot structures. With a calculation of pair velocities from a similar work, a comparison is made between experimental and theoretical velocity calculations using growth geometry and chemical potential. This will yield insight into how the current density for a doped high-temperature superconductor will be modified and tuned based on the dynamics and density of the nanodots themselves.

  18. Precipitating Chromium Impurities in Silicon Wafers

    NASA Technical Reports Server (NTRS)

    Salama, A. M.

    1982-01-01

    Two new treatments for silicon wafers improve solar-cell conversion efficiency by precipitating electrically-active chromium impurities. One method is simple heat treatment. Other involves laser-induced damage followed by similar heat treatment. Chromium is one impurity of concern in metallurgical-grade silicon for solar cells. In new treatment, chromium active centers are made electrically inactive by precipitating chromium from solid solution, enabling use of lower grade, lower cost silicon in cell manufacture.

  19. Role of impurities in fusion plasmas

    SciTech Connect

    Tokar, M. Z.

    2008-10-15

    The role of impurity at the plasma edge of fusion devices is considered by analysing the influence on radiation losses and anomalous transport of particle and energy. The conditions critical for the development of radiative instabilities leading to the formation of detachment and MARFE and those necessary for the creation of a stable radiating edge, protecting the wall elements from intensive heat loads, are analyzed. Mechanisms responsible for anomalous transport suppression with impurity seeding are elucidated.

  20. Method of removing phosphorus impurities from yellowcake

    SciTech Connect

    Brown, R.A.; Winkley, D.C.

    1983-04-05

    PhospHorus impurities are removed from yellowcake by dissolving it in hydrochloric or sulfuric acid to a U/sub 3/O/sub 88/ assay of at least 150 g/l at a pH of 2; precipitating uranium peroxide W hydrogen peroxide while keeping the pH between 2.2 and 2.6 and recovering the uranium peroxide from the phosphorus impurities remaining in solution.