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.
Impurity Entanglement in the Open-Ended Heisenberg Chains
NASA Astrophysics Data System (ADS)
Hu, Ming-Liang
By using the concept of concurrence, we study pairwise entanglement between the two end spins in the open-ended Heisenberg XXX and XY chains up to ten spins. The results show that by introducing two boundary impurities, one can obtain maximum entanglement at the limit of the impurity parameter |J1| ≪ J for the even-number qubits. When |J1/J| > 0, the entanglement always decreases with the increase in the absolute value of J1/J, and for the Heisenberg XXX chain, C disappears when J1/J exceeds a certain critical point Jic, and attains an asymptotic value C0 when |J1| ≫ J(J1 < 0), while for the Heisenberg XY chain, C always disappears when |J1/J| exceeds a certain critical point Jic. Both C0 and Jic decrease with the increase of the length of the chain.
Susceptibility of the 2D spin-1 / 2 Heisenberg antiferromagnet with an impurity.
Höglund, Kaj H; Sandvik, Anders W
2003-08-15
We use a quantum Monte Carlo method (stochastic series expansion) to study the effects of a magnetic or nonmagnetic impurity on the magnetic susceptibility of the two-dimensional Heisenberg antiferromagnet. At low temperatures, we find a log-divergent contribution to the transverse susceptibility. We also introduce an effective few-spin model that can quantitatively capture the differences between magnetic and nonmagnetic impurities at high and intermediate temperatures.
Tamine, M. . E-mail: moktam@hotmail.com; Boumeddine, F.
2006-10-15
We investigate the magnetic excitations for the magnetic problem arising from the absence of magnetic translation symmetry in one dimension due to the presence of an impurity layer embedded within a semi-infinite ferromagnet. A Heisenberg model is employed to investigate the possibility that localized modes can occur with an impurity layer implanted within a semi-infinite ferromagnet. No electronic effects are considered. The theoretical approach employs the matching procedure in the mean field approximation and determines the propagating and evanescent spin amplitude fields including the contribution due to an applied field. The results are used to calculate the energies of localized modes associated with the impurity layer and with the surface. Numerical examples of the modes are given and they are found to exhibit various effects due to the interplay between the impurity layer and surface modes. It is shown that more localized modes can occur and the modification of the spin wave spectra can be signaled by the appearance of surface and impurity modes, besides the bulk excitations. Also, the bulk spin fluctuations field, the spin waves localized on the surface as well as on impurity layer depend are shown to depend on the nature of the exchange coupling between spin sites, the values of spin sites and the position of the impurity layer from the surface.
Anomalous curie response of impurities in quantum-critical spin-1/2 Heisenberg antiferromagnets.
Höglund, Kaj H; Sandvik, Anders W
2007-07-13
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)10.1126/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*.
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^2/3
Heisenberg necklace model in a magnetic field
Tsvelik, A. M.; Zaliznyak, I. A.
2016-08-26
Here, we study the low-energy sector of the Heisenberg necklace model. Using the field-theory methods, we estimate how the coupling of the electronic spins with the paramagnetic Kondo spins affects the overall spin dynamics and evaluate its dependence on a magnetic field. We are motivated by the experimental realizations of the spin-1/2 Heisenberg chains in SrCuO2 and Sr2CuO3 cuprates, which remain one-dimensional Luttinger liquids down to temperatures much lower than the in-chain exchange coupling J. We also consider the perturbation of the energy spectrum caused by the interaction γ with nuclear spins (I=3/2) present on the same sites. We findmore » that the resulting necklace model has a characteristic energy scale, Λ~J1/3(γI)2/3, at which the coupling between (nuclear) spins of the necklace and the spins of the Heisenberg chain becomes strong. Furthermore, this energy scale is insensitive to a magnetic field B. For μBB>Λ we find two gapless bosonic modes that have different velocities, whose ratio at strong fields approaches a universal number, 2√+1.« less
Heisenberg necklace model in a magnetic field
Tsvelik, A. M.; Zaliznyak, I. A.
2016-08-26
Here, we study the low-energy sector of the Heisenberg necklace model. Using the field-theory methods, we estimate how the coupling of the electronic spins with the paramagnetic Kondo spins affects the overall spin dynamics and evaluate its dependence on a magnetic field. We are motivated by the experimental realizations of the spin-1/2 Heisenberg chains in SrCuO_{2} and Sr_{2}CuO_{3} cuprates, which remain one-dimensional Luttinger liquids down to temperatures much lower than the in-chain exchange coupling J. We also consider the perturbation of the energy spectrum caused by the interaction γ with nuclear spins (I=3/2) present on the same sites. We find that the resulting necklace model has a characteristic energy scale, Λ~J^{1/3}(γI)^{2/3}, at which the coupling between (nuclear) spins of the necklace and the spins of the Heisenberg chain becomes strong. Furthermore, this energy scale is insensitive to a magnetic field B. For _{μB}B>Λ we find two gapless bosonic modes that have different velocities, whose ratio at strong fields approaches a universal number, 2√+1.
Heisenberg necklace model in a magnetic field
Tsvelik, A. M.; Zaliznyak, I. A.
2016-08-26
Here, we study the low-energy sector of the Heisenberg necklace model. Using the field-theory methods, we estimate how the coupling of the electronic spins with the paramagnetic Kondo spins affects the overall spin dynamics and evaluate its dependence on a magnetic field. We are motivated by the experimental realizations of the spin-1/2 Heisenberg chains in SrCuO_{2} and Sr_{2}CuO_{3} cuprates, which remain one-dimensional Luttinger liquids down to temperatures much lower than the in-chain exchange coupling J. We also consider the perturbation of the energy spectrum caused by the interaction γ with nuclear spins (I=3/2) present on the same sites. We find that the resulting necklace model has a characteristic energy scale, Λ~J^{1/3}(γI)^{2/3}, at which the coupling between (nuclear) spins of the necklace and the spins of the Heisenberg chain becomes strong. Furthermore, this energy scale is insensitive to a magnetic field B. For _{μB}B>Λ we find two gapless bosonic modes that have different velocities, whose ratio at strong fields approaches a universal number, 2√+1.
The XXZ Heisenberg model on random surfaces
NASA Astrophysics Data System (ADS)
Ambjørn, J.; Sedrakyan, A.
2013-09-01
We consider integrable models, or in general any model defined by an R-matrix, on random surfaces, which are discretized using random Manhattan lattices. The set of random Manhattan lattices is defined as the set dual to the lattice random surfaces embedded on a regular d-dimensional lattice. They can also be associated with the random graphs of multiparticle scattering nodes. As an example we formulate a random matrix model where the partition function reproduces the annealed average of the XXZ Heisenberg model over all random Manhattan lattices. A technique is presented which reduces the random matrix integration in partition function to an integration over their eigenvalues.
Knight shifts around vacancies in the 2D Heisenberg model.
Anfuso, Fabrizio; Eggert, Sebastian
2006-01-13
The local response to a uniform field around vacancies in the two-dimensional spin-1/2 Heisenberg antiferromagnet is determined by numerical quantum Monte Carlo simulations as a function of temperature. It is possible to separate the Knight shifts into uniform and staggered contributions on the lattice which are analyzed and understood in detail. The contributions show interesting long- and short-range behavior that may be of relevance in NMR and susceptibility measurements. For more than one impurity, remarkable nonlinear enhancement and cancellation effects take place. We predict that the Curie impurity susceptibility will be observable for a random impurity concentration even in the thermodynamic limit.
SU (N ) Heisenberg model with multicolumn representations
NASA Astrophysics Data System (ADS)
Okubo, Tsuyoshi; Harada, Kenji; Lou, Jie; Kawashima, Naoki
2015-10-01
The SU (N ) symmetric antiferromagnetic Heisenberg model with multicolumn representations on the two-dimensional square lattice is investigated by quantum Monte Carlo simulations. For the representation of a Young diagram with two columns, we confirm that a valence-bond solid (VBS) order appears as soon as the Néel order disappears at N =10 , indicating no intermediate phase. In the case of the representation with three columns, there is no evidence for either the Néel or the VBS ordering for N ≥15 . This is actually consistent with the large-N theory, which predicts that the VBS state immediately follows the Néel state, because the expected spontaneous order is too weak to be detected.
Conserved Quantities in the Generalized Heisenberg Magnet (ghm) Model
NASA Astrophysics Data System (ADS)
Mushahid, N.; Hassan, M.; Saleem, U.
2013-03-01
We study the conserved quantities of the generalized Heisenberg magnet (GHM) model. We derive the nonlocal conserved quantities of the model using the iterative procedure of Brezin et al. [Phys. Lett. B82, 442 (1979).] We show that the nonlocal conserved quantities Poisson commute with local conserved quantities of the model.
Quasideterminant solutions of the generalized Heisenberg magnet model
NASA Astrophysics Data System (ADS)
Saleem, U.; Hassan, M.
2010-01-01
In this paper we present the Darboux transformation for the generalized Heisenberg magnet (GHM) model based on the general linear Lie group GL(n) and construct multi-soliton solutions in terms of quasideterminants. Further we relate the quasideterminant multi-soliton solutions obtained by means of Darboux transformation with those obtained by the dressing method. We also discuss the model based on the Lie group SU(n) and obtain explicit soliton solutions of the model based on SU(2).
Unified model for impurity diffusion in silicon
NASA Astrophysics Data System (ADS)
Orlowski, M.
1988-10-01
A new theoretical framework for impurity diffusion in silicon is proposed. The basic mechanism employed here is the point defect-impurity pair diffusion as presented by Mulvaney and Richardson [Appl. Phys. Lett. 51, 1439 (1987)] in a generalized description of the impurity-interstitial model by Morehead and Lever [Appl. Phys. Lett. 48, 151 (1986)]. The model consists of coupled equations for the impurities and point defects, in which all species including structural defects (major new process variables) are treated on the same footing. Among other things, the model accounts for long-range point defect mediated enhancement and retardation of the diffusion. The essential features of the present formalism are the new equations for interstitials and vacancies which provide the major coupling between the impurities apart from the coupling via the Fermi level. This approach allows, for the first time, a consistent analysis and exploration of the diffusion phenomena step by step on various levels of complexity.
Global phase diagram of a doped Kitaev-Heisenberg model
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.
Decay of transverse correlations in quantum Heisenberg models
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.
Scaling behavior of the Heisenberg model in three dimensions.
Gordillo-Guerrero, A; Kenna, R; Ruiz-Lorenzo, J J
2013-12-01
We report on extensive numerical simulations of the three-dimensional Heisenberg model and its analysis through finite-size scaling of Lee-Yang zeros. Besides the critical regime, we also investigate scaling in the ferromagnetic phase. We show that, in this case of broken symmetry, the corrections to scaling contain information on the Goldstone modes. We present a comprehensive Lee-Yang analysis, including the density of zeros, and confirm recent numerical estimates for critical exponents.
Models for impurity effects in tokamaks
Hogan, J.T.
1980-03-01
Models for impurity effects in tokamaks are described with an emphasis on the relationship between attainment of high ..beta.. and impurity problems. We briefly describe the status of attempts to employ neutral beam heating to achieve high ..beta.. in tokamaks and propose a qualitative model for the mechanism by which heavy metal impurities may be produced in the startup phase of the discharge. We then describe paradoxes in impurity diffusion theory and discuss possible resolutions in terms of the effects of large-scale islands and sawtooth oscillations. Finally, we examine the prospects for the Zakharov-Shafranov catastrophe (long time scale disintegration of FCT equilibria) in the context of present and near-term experimental capability.
Bethe Algebra of Homogeneous XXX Heisenberg Model has Simple Spectrum
NASA Astrophysics Data System (ADS)
Mukhin, E.; Tarasov, V.; Varchenko, A.
2009-05-01
We show that the algebra of commuting Hamiltonians of the homogeneous XXX Heisenberg model has simple spectrum on the subspace of singular vectors of the tensor product of two-dimensional {mathfrak{gl}_2} -modules. As a byproduct we show that there exist exactly {binom {n}{l}-binom{n}{l-1}} two-dimensional vector subspaces {V subset {mathbb C}[u]} with a basis {f,gin V} such that deg f = l, deg g = n - l + 1 and f ( u) g( u - 1) - f ( u - 1) g( u) = ( u + 1) n .
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.
Multipath Metropolis simulation: An application to the classical Heisenberg model
NASA Astrophysics Data System (ADS)
Rakić, Predrag S.; Radošević, Slobodan M.; Mali, Petar M.; Stričević, Lazar M.; Petrić, Tara D.
2016-01-01
This study explores the Multipath Metropolis simulation of the classical Heisenberg model. Unlike the standard single-path algorithm, the Metropolis algorithm applied to multiple random-walk paths becomes an embarrassingly parallel algorithm in which many processor cores can be easily utilized. This is important since processor cores are progressively becoming less expensive and thus more accessible. The most obvious advantage of the multipath approach is in employing independent random-walk paths to produce an uncorrelated simulation output with a normal distribution allowing for straightforward and rigorous statistical analysis.
Ground states of the SU(N) Heisenberg model.
Kawashima, Naoki; Tanabe, Yuta
2007-02-02
The SU(N) Heisenberg model with various single-row representations is investigated by quantum Monte Carlo simulations. While the zero-temperature phase boundary agrees qualitatively with the theoretical predictions based on the 1/N expansion, some unexpected features are also observed. For N> or =5 with the fundamental representation, for example, it is suggested that the ground states possess exact or approximate U(1) degeneracy. In addition, for the representation of Young tableau with more than one column, the ground state shows no valence-bond-solid order even at N greater than the threshold value.
Chiral spin liquid in a frustrated anisotropic kagome Heisenberg model.
He, Yin-Chen; Sheng, D N; Chen, Yan
2014-04-04
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.
Strecka, Jozef; Canová, Lucia; Minami, Kazuhiko
2009-05-01
The spin-1/2 Ising-Heisenberg model with the pair XYZ Heisenberg interaction and quartic Ising interactions is exactly solved by establishing a precise mapping relationship with the corresponding zero-field (symmetric) eight-vertex model. It is shown that the Ising-Heisenberg model with the ferromagnetic Heisenberg interaction exhibits a striking critical behavior, which manifests itself through re-entrant phase transitions as well as continuously varying critical exponents. The changes in critical exponents are in accordance with the weak universality hypothesis in spite of a peculiar singular behavior that emerges at a quantum critical point of the infinite order, which occurs at the isotropic limit of the Heisenberg interaction. On the other hand, the Ising-Heisenberg model with the antiferromagnetic Heisenberg interaction surprisingly exhibits less significant changes in both critical temperatures and critical exponents upon varying the strength of the exchange anisotropy in the Heisenberg interaction.
Spectral Duality Between Heisenberg Chain and Gaudin Model
NASA Astrophysics Data System (ADS)
Mironov, Andrei; Morozov, Alexei; Runov, Boris; Zenkevich, Yegor; Zotov, Andrei
2013-03-01
In our recent paper we described relationships between integrable systems inspired by the AGT conjecture. On the gauge theory side an integrable spin chain naturally emerges while on the conformal field theory side one obtains some special reduced Gaudin model. Two types of integrable systems were shown to be related by the spectral duality. In this paper we extend the spectral duality to the case of higher spin chains. It is proved that the N-site GL k Heisenberg chain is dual to the special reduced k + 2-points gl N Gaudin model. Moreover, we construct an explicit Poisson map between the models at the classical level by performing the Dirac reduction procedure and applying the AHH duality transformation.
Fractionalized Fermi liquid in a Kondo-Heisenberg model
Tsvelik, A. M.
2016-10-10
The Kondo-Heisenberg model is used as a controllable tool to demonstrate the existence of a peculiar metallic state with unbroken translational symmetry where the Fermi surface volume is not controlled by the total electron density. Here, I use a nonperturbative approach where the strongest interactions are taken into account by means of exact solution, and corrections are controllable. The resulting metallic state represents a fractionalized Fermi liquid where well defined quasiparticles coexist with gapped fractionalized collective excitations, in agreement with the general requirements formulated by T. Senthil et al. [Phys. Rev. Lett. 90, 216403 (2003)]. Furthermore, the system undergoes a phase transition to an ordered phase (charge density wave or superconducting), at the transition temperature which is parametrically small in comparison to the quasiparticle Fermi energy.
Fractionalized Fermi liquid in a Kondo-Heisenberg model
Tsvelik, A. M.
2016-10-10
The Kondo-Heisenberg model is used as a controllable tool to demonstrate the existence of a peculiar metallic state with unbroken translational symmetry where the Fermi surface volume is not controlled by the total electron density. Here, I use a nonperturbative approach where the strongest interactions are taken into account by means of exact solution, and corrections are controllable. The resulting metallic state represents a fractionalized Fermi liquid where well defined quasiparticles coexist with gapped fractionalized collective excitations, in agreement with the general requirements formulated by T. Senthil et al. [Phys. Rev. Lett. 90, 216403 (2003)]. Furthermore, the system undergoes amore » phase transition to an ordered phase (charge density wave or superconducting), at the transition temperature which is parametrically small in comparison to the quasiparticle Fermi energy.« less
Exact Diagonalization of Heisenberg SU(N) models.
Nataf, Pierre; Mila, Frédéric
2014-09-19
Building on advanced results on permutations, we show that it is possible to construct, for each irreducible representation of SU(N), an orthonormal basis labeled by the set of standard Young tableaux in which the matrix of the Heisenberg SU(N) model (the quantum permutation of N-color objects) takes an explicit and extremely simple form. Since the relative dimension of the full Hilbert space to that of the singlet space on n sites increases very fast with N, this formulation allows us to extend exact diagonalizations of finite clusters to much larger values of N than accessible so far. Using this method, we show that, on the square lattice, there is long-range color order for SU(5), spontaneous dimerization for SU(8), and evidence in favor of a quantum liquid for SU(10).
Fractionalized Fermi liquid in a Kondo-Heisenberg model
Tsvelik, A. M.
2016-10-10
The Kondo-Heisenberg model is used as a controllable tool to demonstrate the existence of a peculiar metallic state with unbroken translational symmetry where the Fermi surface volume is not controlled by the total electron density. Here, I use a nonperturbative approach where the strongest interactions are taken into account by means of exact solution, and corrections are controllable. The resulting metallic state represents a fractionalized Fermi liquid where well defined quasiparticles coexist with gapped fractionalized collective excitations, in agreement with the general requirements formulated by T. Senthil et al. [Phys. Rev. Lett. 90, 216403 (2003)]. Furthermore, the system undergoes a phase transition to an ordered phase (charge density wave or superconducting), at the transition temperature which is parametrically small in comparison to the quasiparticle Fermi energy.
Two Spin Liquid phases in the anisotropic triangular Heisenberg model
NASA Astrophysics Data System (ADS)
Sorella, Sandro
2005-03-01
Recently there have been rather clean experimental realizations of the quantum spin 1/2 Heisenberg Hamiltonian on a 2D triangular lattice geometry in systems like Cs2Cu Cl4 and organic compounds like k-(ET)2Cu2(CN)3. These materials are nearly two dimensional and are characterized by an anisotropic antiferromagnetic superexchange. The strength of the spatial anisotropy can increase quantum fluctuations and can destabilize the magnetically ordered state leading to non conventional spin liquid phases. In order to understand these interesting phenomena we have studied, by Quantum Monte Carlo methods, the triangular lattice Heisenberg model as a function of the strength of this anisotropy, represented by the ratio r between the intra-chain nearest neighbor coupling J' and the inter-chain one J. We have found evidence of two spin liquid regions, well represented by projected BCS wave functions[1,2] of the type proposed by P. W. Anderson at the early stages of High temperature superconductivity [3]. The first spin liquid phase is stable for small values of the coupling r 0.6 and appears gapless and fractionalized, whereas the second one is a more conventional spin liquid, very similar to the one realized in the quantum dimer model in the triangular lattice[4]. It is characterized by a spin gap and a finite correlation length, and appears energetically favored in the region 0.6 r 0.9. The various phases are in good agreement with the experimental findings and supports the existence of spin liquid phases in 2D quantum spin-half systems. %%%%%%%%%%%%%%%%%% 1cm *[1] L. Capriotti F. Becca A. Parola and S. Sorella , Phys. Rev. Letters 87, 097201 (2001). *[2] S. Yunoki and S. Sorella Phys. Rev. Letters 92, 15003 (2004). *[3] P. W. Anderson, Science 235, 1186 (1987). *[4] P. Fendley, R. Moessner, and S. L. Sondhi Phys. Rev. B 66, 214513 (2002).
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.
Green function method study of the anisotropic ferromagnetic Heisenberg model on a square lattice
NASA Astrophysics Data System (ADS)
Hu, Ai-Yuan; Chen, Yuan
2008-06-01
We study the phase diagram of the anisotropic ferromagnetic Heisenberg model on a square lattice. We use the double-time Green’s function method within the Callen decoupling approximation. The dependence of the Curie temperature Tc on the spin S and on the anisotropy parameter Δ ( Δ=0 and 1 correspond to the isotropic Heisenberg and Ising model, respectively) is obtained explicitly. Our results are in agreement with results obtained from other theoretical approaches.
Branco, N S; de Sousa, J Ricardo; Ghosh, Angsula
2008-03-01
Using a real-space renormalization-group approximation, we study the anisotropic quantum Heisenberg model on hierarchical lattices, with interactions following aperiodic sequences. Three different sequences are considered, with relevant and irrelevant fluctuations, according to the Luck-Harris criterion. The phase diagram is discussed as a function of the anisotropy parameter Delta (such that Delta=0 and 1 correspond to the isotropic Heisenberg and Ising models, respectively). We find three different types of phase diagrams, with general characteristics: the isotropic Heisenberg plane is always an invariant one (as expected by symmetry arguments) and the critical behavior of the anisotropic Heisenberg model is governed by fixed points on the Ising-model plane. Our results for the isotropic Heisenberg model show that the relevance or irrelevance of aperiodic models, when compared to their uniform counterpart, is as predicted by the Harris-Luck criterion. A low-temperature renormalization-group procedure was applied to the classical isotropic Heisenberg model in two-dimensional hierarchical lattices: the relevance criterion is obtained, again in accordance with the Harris-Luck criterion.
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.
Employing Taylor and Heisenberg subfilter viscosities to simulate turbulent statistics in LES models
NASA Astrophysics Data System (ADS)
Degrazia, G. A.; Rizza, U.; Puhales, F. S.; Welter, G. S.; Acevedo, O. C.; Maldaner, S.
2012-02-01
A turbulent subfilter viscosity for Large Eddy Simulation (LES) based on the Taylor statistical diffusion theory is proposed. This viscosity is described in terms of a velocity variance and a time scale, both associated to the inertial subrange. This new subfilter viscosity contains a cutoff wavenumber kc, presenting an identical form (differing by a constant) to the Heisenberg subfilter viscosity. Therefore, both subfilter viscosities are described in terms of a sharp division between large and small wavenumbers of a turbulent flow and, henceforth, Taylor and Heisenberg subfilter viscosities are in agreement with the sharp Fourier filtering operation, frequently employed in LES models. Turbulent statistics of different orders, generated from atmospheric boundary layer simulations employing both Taylor and Heisenberg subfilter viscosities have been compared with observations and results provided by other simulations. The comparison shows that the LES model utilizing the approaches of Taylor and Heisenberg reproduces these turbulent statistics correctly in different vertical regions of a planetary convective boundary layer (CBL).
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.
Fractional impurity moments in two-dimensional noncollinear magnets.
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.
Solution to the sign problem in a frustrated quantum impurity model
NASA Astrophysics Data System (ADS)
Hann, Connor T.; Huffman, Emilie; Chandrasekharan, Shailesh
2017-01-01
In this work we solve the sign problem of a frustrated quantum impurity model consisting of three quantum spin-half chains interacting through an anti-ferromagnetic Heisenberg interaction at one end. We first map the model into a repulsive Hubbard model of spin-half fermions hopping on three independent one dimensional chains that interact through a triangular hopping at one end. We then convert the fermion model into an inhomogeneous one dimensional model and express the partition function as a weighted sum over fermion worldline configurations. By imposing a pairing of fermion worldlines in half the space we show that all negative weight configurations can be eliminated. This pairing naturally leads to the original frustrated quantum spin model at half filling and thus solves its sign problem.
Zyubin, M V; Kashurnikov, V A
2004-03-01
We propose a universal stochastic series expansion (SSE) method for the simulation of the Heisenberg model with arbitrary spin and the Bose-Hubbard model with interaction. We report the calculations involving soft-core bosons with interaction by the SSE method. Moreover, we develop a simple procedure for increased efficiency of the algorithm. From calculation of integrated autocorrelation times we conclude that the method is efficient for both models and essentially eliminates the critical slowing down problem.
NASA Astrophysics Data System (ADS)
Verkholyak, Taras; Strečka, Jozef
2016-10-01
The spin-1/2 Heisenberg orthogonal-dimer chain is considered within the perturbative strong-coupling approach, which is developed from the exactly solved spin-1/2 Ising-Heisenberg orthogonal-dimer chain with the Heisenberg intradimer and the Ising interdimer couplings. Although the spin-1/2 Ising-Heisenberg orthogonal-dimer chain exhibits just intermediate plateaus at zero, one-quarter, and one-half of the saturation magnetization, the perturbative treatment up to second order stemming from this exactly solvable model additionally corroborates the fractional one-third plateau as well as the gapless Luttinger spin-liquid phase. It is evidenced that the approximate results obtained from the strong-coupling approach are in an excellent agreement with the state-of-the-art numerical data obtained for the spin-1/2 Heisenberg orthogonal-dimer chain within the exact diagonalization and density-matrix renormalization group method. The nature of individual quantum ground states is comprehensively studied within the developed perturbation theory.
Quantum phase diagrams and phase transitions in frustrated two-dimensional Heisenberg models
NASA Astrophysics Data System (ADS)
Sheng, Donna
2014-03-01
The quantum spin liquid is an emergent state of matter, which has attracted a lot of recent attention. I will review recent numerical progress based on the density matrix renormalization calculations in identifying gapped spin liquid in two-dimensional frustrated spin systems. I will first focus on extended model with Heisenberg exchange couplings on kagome lattice and demonstrate a topological state with fractionalized spinon and emergent gauge field clearly shown in numerical simulations. I will present concrete results on the quantum phase diagram of the extended kagome Heisenberg model, and compare that with the phase diagrams of the square and honeycomb lattice models with the dominant plaquette valence bond phase in nonmagnetic region. I will discuss numerical effort and theoretical challenge in fully pinning down the nature of the gapped topological phase, and also the nature of the quantum phase transitions in these Heisenberg systems. The research was supported by the National Science Foundation grant DMR-0906816.
High-temperature series expansion for spin-1/2 Heisenberg models
NASA Astrophysics Data System (ADS)
Hehn, Andreas; van Well, Natalija; Troyer, Matthias
2017-03-01
We present a high-temperature series expansion code for spin-1/2 Heisenberg models on arbitrary lattices. As an example we demonstrate how to use the application for an anisotropic triangular lattice with two independent couplings J1 and J2 and calculate the high-temperature series of the magnetic susceptibility and the static structure factor up to 12th and 10th order, respectively. We show how to extract effective coupling constants for the triangular Heisenberg model from experimental data on Cs2CuBr4.
Yao, Xiaoyan; Dong, Shuai
2016-05-27
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.
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
Monte Carlo simulation of Prussian blue analogs described by Heisenberg ternary alloy model
NASA Astrophysics Data System (ADS)
Yüksel, Yusuf
2015-11-01
Within the framework of Monte Carlo simulation technique, we simulate magnetic behavior of Prussian blue analogs based on Heisenberg ternary alloy model. We present phase diagrams in various parameter spaces, and we compare some of our results with those based on Ising counterparts. We clarify the variations of transition temperature and compensation phenomenon with mixing ratio of magnetic ions, exchange interactions, and exchange anisotropy in the present ferro-ferrimagnetic Heisenberg system. According to our results, thermal variation of the total magnetization curves may exhibit N, L, P, Q, R type behaviors based on the Néel classification scheme.
Modeling of impurity transport in the core plasma
Hulse, R.A.
1992-12-31
This paper presents a brief overview of computer modeling of impurity transport in the core region of controlled thermonuclear fusion plasmas. The atomic processes of importance in these high temperature plasmas and the numerical formulation of the model are described. Selected modeling examples are then used to highlight some features of the physics of impurity behavior in large tokamak fusion devices, with an emphasis on demonstrating the sensitivity of such modeling to uncertainties in the rate coefficients used for the atomic processes. This leads to a discussion of current requirements and opportunities for generating the improved sets of comprehensive atomic data needed to support present and future fusion impurity modeling studies.
Modeling of impurity transport in the core plasma
Hulse, R.A.
1992-01-01
This paper presents a brief overview of computer modeling of impurity transport in the core region of controlled thermonuclear fusion plasmas. The atomic processes of importance in these high temperature plasmas and the numerical formulation of the model are described. Selected modeling examples are then used to highlight some features of the physics of impurity behavior in large tokamak fusion devices, with an emphasis on demonstrating the sensitivity of such modeling to uncertainties in the rate coefficients used for the atomic processes. This leads to a discussion of current requirements and opportunities for generating the improved sets of comprehensive atomic data needed to support present and future fusion impurity modeling studies.
Viet, Dao Xuan; Kawamura, Hikaru
2009-01-16
Ordering of the three-dimensional Heisenberg spin glass with Gaussian coupling is studied by extensive Monte Carlo simulations. The model undergoes successive chiral-glass and spin-glass transitions at nonzero temperatures T_{CG}>T_{SG}>0, exhibiting spin-chirality decoupling.
Kinetic model of impurity poisoning during growth of calcite
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.
Masuda, Hiroshi; Okubo, Tsuyoshi; Kawamura, Hikaru
2012-08-03
Motivated by the recent experiment on kagome-lattice antiferromagnets, we study the zero-field ordering behavior of the antiferromagnetic classical Heisenberg model on a uniaxially distorted kagome lattice by Monte Carlo simulations. A first-order transition, which has no counterpart in the corresponding undistorted model, takes place at a very low temperature. The origin of the transition is ascribed to a cooperative proliferation of topological excitations inherent to the model.
Casola, F; Shiroka, T; Wang, S; Conder, K; Pomjakushina, E; Mesot, J; Ott, H-R
2010-08-06
Nuclear magnetic resonance and magnetization measurements were used to probe the magnetic features of single-crystalline Bi(Cu(1-x)Zn(x))(2)PO(6) with 0
Matrix model for strings beyond the c =1 barrier: The spin-s Heisenberg model on random surfaces
NASA Astrophysics Data System (ADS)
Ambjørn, J.; Khachatryan, Sh.; Sedrakyan, A.
2015-07-01
We consider a spin-s Heisenberg model coupled to two-dimensional quantum gravity. We quantize the model using the Feynman path integral, summing over all possible two-dimensional geometries and spin configurations. We regularize this path integral by starting with the R-matrices defining the spin-s Heisenberg model on a regular 2d Manhattan lattice. Two-dimensional quantum gravity is included by defining the R-matrices on random Manhattan lattices and summing over these, in the same way as one sums over 2d geometries using random triangulations in noncritical string theory. We formulate a random matrix model where the partition function reproduces the annealed average of the spin-s Heisenberg model over all random Manhattan lattices. A technique is presented which reduces the random matrix integration in the partition function to an integration over their eigenvalues.
Wenzel, Sandro; Bogacz, Leszek; Janke, Wolfhard
2008-09-19
The two-dimensional J-J' dimerized quantum Heisenberg model is studied on the square lattice by means of (stochastic series expansion) quantum Monte Carlo simulations as a function of the coupling ratio alpha=J'/J. The critical point of the order-disorder quantum phase transition in the J-J' model is determined as alpha_c=2.5196(2) by finite-size scaling for up to approximately 10 000 quantum spins. By comparing six dimerized models we show, contrary to the current belief, that the critical exponents of the J-J' model are not in agreement with the three-dimensional classical Heisenberg universality class. This lends support to the notion of nontrivial critical excitations at the quantum critical point.
Diagram theory for the twofold-degenerate Anderson impurity model
NASA Astrophysics Data System (ADS)
Moskalenko, V. A.; Dohotaru, L. A.; Digor, D. F.; Cebotari, I. D.
2014-02-01
We develop a diagram technique for investigating the twofold-degenerate Anderson impurity model in the normal state with the strong electronic correlations of d electrons of the impurity ion taken into account. We discuss the properties of the Slater-Kanamori model of d electrons. After finding the eigenfunctions and eigenvalues of all 16 local states, we determine the local one-particle propagator. We construct the perturbation theory around the atomic limit of the impurity ion and obtain a Dyson-type equation establishing the relation between the impurity electron propagator and the normal correlation function. As a result of summing infinite series of ladder diagrams, we obtain an approximation for the correlation function.
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.
Albers, Robert C; Julien, Jean P
2008-01-01
We have developed a new efficient and accurate impurity solver for the single impurity Anderson model (SIAM), which is based on a non-perturbative recursion technique in a space of operators and involves expanding the self-energy as a continued fraction. The method has no special occupation number or temperature restrictions; the only approximation is the number of levels of the continued fraction retained in the expansion. We also show how this approach can be used as a new approach to Dynamical Mean Field Theory (DMTF) and illustrate this with the Hubbard model. The three lowest orders of recursion give the Hartree-Fock, Hubbard I, and Hubbard III approximations. A higher level of recursion is able to reproduce the expected 3-peak structure in the spectral function and Fermi liquid behavior.
The Entangled Quantum Heat Engine in the Various Heisenberg Models for a Two-Qubit System
NASA Astrophysics Data System (ADS)
Albayrak, Erhan
2013-05-01
The four-level entangled quantum heat engine (QHE) is analyzed in the various Heisenberg models for a two-qubit. The QHE is examined for the XX, XXX and XXZ Heisenberg models by introducing a parameter x which controls the strength of the exchange parameter Jz = xJ along the z-axis with respect to the ones along the x- and y-axes, i.e. Jx = Jy = J, respectively. It is assumed that the two-qubit is entangled and in contact with two heat reservoirs at different temperatures and under the effect of a constant magnetic field. The concurrences (C) are used as a measure of entanglement and then the expressions for the amount of heat transferred, the work performed and the efficiency of the QHE are derived. The contour, i.e. the isoline maps, and some two-dimensional plots of the above mentioned thermodynamic quantities are calculated and some interesting features are found.
Triplet FFLO superconductivity in the doped Kitaev-Heisenberg honeycomb model
NASA Astrophysics Data System (ADS)
Liu, Tianhan; Repellin, Cécile; Douçot, Benoît; Regnault, Nicolas; Le Hur, Karyn
2016-11-01
We provide analytical and numerical evidence of spin-triplet Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) superconductivity in the itinerant Kitaev-Heisenberg model (antiferromagnetic Kitaev coupling and ferromagnetic Heisenberg coupling) on the honeycomb lattice around quarter filling. The strong spin-orbit coupling in our model leads to the emergence of six inversion symmetry centers for the Fermi surface at nonzero momenta in the first Brillouin zone. We show how the Cooper pairs condense into these nontrivial momenta, causing spatial modulation of the superconducting order parameter. Applying a Ginzburg-Landau expansion analysis, we find that the superconductivity has three separated degenerate ground states with three different spin-triplet pairings. Exact diagonalizations on finite clusters support this picture while ruling out a spin (charge) density wave.
Spiral versus modulated collinear phases in the quantum axial next-nearest-neighbor Heisenberg model
NASA Astrophysics Data System (ADS)
Oitmaa, J.; Singh, R. R. P.
2016-12-01
Motivated by the discovery of spiral and modulated collinear phases in several magnetic materials, we investigate the magnetic properties of Heisenberg spin S =1 /2 antiferromagnets in two and three dimensions, with frustration arising from second-neighbor couplings in one axial direction [the axial next-nearest-neighbor Heisenberg (ANNNH) model]. Our results clearly demonstrate the presence of an incommensurate spiral phase at T =0 in two dimensions, extending to finite temperatures in three dimensions. The crossover between Néel and spiral order occurs at a value of the frustration parameter considerably above the classical value 0.25, a sign of substantial quantum fluctuations. We also investigate a possible modulated collinear phase with a wavelength of four lattice spacings and find that it has substantially higher energy and hence is not realized in the model.
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 .
Bicritical universality of the anisotropic Heisenberg model in a crystal field.
Freire, R T S; Plascak, J A
2015-03-01
The bicritical properties of the three-dimensional classical anisotropic Heisenberg model in a crystal field are investigated through extensive Monte Carlo simulations on a simple cubic lattice, using Metropolis and Wolff algorithms. Field-mixing and multidimensional histogram techniques were employed in order to compute the probability distribution function of the extensive conjugate variables of interest and, using finite-size scaling analysis, the first-order transition line of the model was precisely located. The fourth-order cumulant of the order parameter was then calculated along this line and the bicritical point located with good precision from the cumulant crossings. The bicritical properties of this point were further investigated through the measurement of the universal probability distribution function of the order parameter. The results lead us to conclude that the studied bicritical point belongs in fact to the three-dimensional Heisenberg universality class.
Zigzag order and phase competition in expanded Kitaev-Heisenberg model on honeycomb lattice
NASA Astrophysics Data System (ADS)
Yao, Xiaoyan
2015-07-01
The Kitaev-Heisenberg model on the honeycomb lattice is investigated in two cases: (I) with the Kitaev interaction between the nearest neighbors, and (II) with the Kitaev interaction between the next nearest neighbors. In the full parameter range, the ground states are searched by Monte Carlo simulation and identified by evaluating the correlation functions. The energies of different phases are calculated and compared with the simulated result to show the phase competition. It is observed from both energy calculation and the density of states that the zigzag order shows a symmetric behavior to the stripy phase in the pure Kitaev-Heisenberg model. By considering more interactions in both cases, the energy of zigzag order can be reduced lower than the energies of other states. Thus the zigzag phase may be stabilized in more parameter region and even extended to the whole parameter range.
Fractionalized Z_{2} Classical Heisenberg Spin Liquids.
Rehn, J; Sen, Arnab; Moessner, R
2017-01-27
Quantum spin systems are by now known to exhibit a large number of different classes of spin liquid phases. By contrast, for classical Heisenberg models, only one kind of fractionalized spin liquid phase, the so-called Coulomb or U(1) spin liquid, has until recently been identified: This exhibits algebraic spin correlations and impurity moments, "orphan spins," whose size is a fraction of that of the underlying microscopic degrees of freedom. Here, we present two Heisenberg models exhibiting fractionalization in combination with exponentially decaying correlations. These can be thought of as a classical continuous spin version of a Z_{2} spin liquid. Our work suggests a systematic search and classification of classical spin liquids as a worthwhile endeavor.
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.
Liao, Haijun; Li, Tao
2011-11-30
We study the ground state phase diagram of the bilayer Heisenberg model on a square lattice with a bosonic resonating valence bond (RVB) wavefunction. The wavefunction has the form of a Gutzwiller projected Schwinger boson mean-field ground state and involves two variational parameters. We find the wavefunction provides an accurate description of the system on both sides of the quantum phase transition. In particular, through the analysis of the spin structure factor, ground state fidelity susceptibility and the Binder moment ratio Q(2), a continuous transition from the antiferromagnetic ordered state to the quantum disordered state is found at the critical coupling of α(c) = J(⊥)/J(∥) ≈ 2.62, in good agreement with the result of quantum Monte Carlo simulation. The critical exponent estimated from the finite size scaling analysis (1/ν ≈ 1.4) is consistent with that of the classical 3D Heisenberg universality class.
Critical quasiparticles in single-impurity and lattice Kondo models
NASA Astrophysics Data System (ADS)
Vojta, M.; Bulla, R.; Wölfle, P.
2015-07-01
Quantum criticality in systems of local moments interacting with itinerant electrons has become an important and diverse field of research. Here we review recent results which concern (a) quantum phase transitions in single-impurity Kondo and Anderson models and (b) quantum phase transitions in heavy-fermion lattice models which involve critical quasiparticles. For (a) the focus will be on impurity models with a pseudogapped host density of states and their applications, e.g., in graphene and other Dirac materials, while (b) is devoted to strong-coupling behavior near antiferromagnetic quantum phase transitions, with potential applications in a variety of heavy-fermion metals.
Quantum spin liquid ground states of the Heisenberg-Kitaev model on the triangular lattice
NASA Astrophysics Data System (ADS)
Kos, Pavel; Punk, Matthias
2017-01-01
We study quantum disordered ground states of the two-dimensional Heisenberg-Kitaev model on the triangular lattice using a Schwinger boson approach. Our aim is to identify and characterize potential gapped quantum spin liquid phases that are stabilized by anisotropic Kitaev interactions. For antiferromagnetic Heisenberg and Kitaev couplings and sufficiently small spin S , we find three different symmetric Z2 spin liquid phases, separated by two continuous quantum phase transitions. Interestingly, the gap of elementary excitations remains finite throughout the transitions. The first spin liquid phase corresponds to the well-known zero-flux state in the Heisenberg limit, which is stable with respect to small Kitaev couplings and develops 120∘ order in the semiclassical limit at large S . In the opposite Kitaev limit, we find a different spin liquid ground state, which is a quantum disordered version of a magnetically ordered state with antiferromagnetic chains, in accordance with results in the classical limit. Finally, at intermediate couplings, we find a spin liquid state with unusual spin correlations. Upon spinon condensation, this state develops Bragg peaks at incommensurate momenta in close analogy to the magnetically ordered Z2 vortex crystal phase, which has been analyzed in recent theoretical works.
Modeling Electronegative Impurity Concentrations in Liquid Argon Detectors
NASA Astrophysics Data System (ADS)
Tang, Wei; Li, Yichen; Thorn, Craig; Qian, Xin
2017-01-01
Achieving long electron lifetime is crucial to reach the high performance of large Liquid Argon Time Projection Chamber (LArTPC) envisioned for next generation neutrino experiments. We have built up a quantitative model to describe the impurity distribution and transportation in a cryostat. Henrys constants of Oxygen and water, which describe the partition of impurities between gas argon and liquid argon, have been deduced through this model with the measurements in BNL 20-L LAr test stand. These results indicate the importance of the gas purification system and prospects on large LArTPC detectors will be discussed.
NASA Astrophysics Data System (ADS)
De La Rosa Gomez, Alejandro; MacKay, Niall; Regelskis, Vidas
2017-04-01
We present a general method of folding an integrable spin chain, defined on a line, to obtain an integrable open spin chain, defined on a half-line. We illustrate our method through two fundamental models with sl2 Lie algebra symmetry: the Heisenberg XXX and the Inozemtsev hyperbolic spin chains. We obtain new long-range boundary Hamiltonians and demonstrate that they exhibit Yangian symmetries, thus ensuring integrability of the models we obtain. The method presented provides a ;bottom-up; approach for constructing integrable boundaries and can be applied to any spin chain model.
a Matrix Model Representation of the Integrable Xxz Heisenberg Chain on Random Surfaces
NASA Astrophysics Data System (ADS)
Ambjørn, J.; Sedrakyan, A.
2013-11-01
We consider integrable models, i.e. models defined by R-matrices, on random Manhattan lattices (RML). The set of random Manhattan lattices is defined as the set dual to the lattice random surfaces embedded on a regular d-dimensional lattice. As an example we formulate a random matrix model where the partition function reproduces annealed average of the XXZ Heisenberg chain over all RML. A technique is presented which reduces the random matrix integration in partition function to an integration over their eigenvalues.
Magnetic order and spin excitations in the Kitaev–Heisenberg model on a honeycomb lattice
Vladimirov, A. A.; Ihle, D.; Plakida, N. M.
2016-06-15
We consider the quasi-two-dimensional pseudo-spin-1/2 Kitaev–Heisenberg model proposed for A{sub 2}IrO{sub 3} (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 Na{sub 2}IrO{sub 3}.
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.
Emergent Haldane phase in the S =1 bilinear-biquadratic Heisenberg model on the square lattice
NASA Astrophysics Data System (ADS)
Niesen, Ido; Corboz, Philippe
2017-05-01
Infinite projected entangled pair states simulations of the S =1 bilinear-biquadratic Heisenberg model on the square lattice reveal an emergent Haldane phase in between the previously predicted antiferromagnetic and three-sublattice 120∘ magnetically ordered phases. This intermediate phase preserves SU(2) spin and translational symmetry but breaks lattice rotational symmetry, and it can be adiabatically connected to the Haldane phase of decoupled S =1 chains. Our results contradict previous studies which found a direct transition between the two magnetically ordered states.
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.
J1x-J1y-J2 square-lattice anisotropic Heisenberg model
NASA Astrophysics Data System (ADS)
Pires, A. S. T.
2017-08-01
The spin one Heisenberg model with an easy-plane single-ion anisotropy and spatially anisotropic nearest-neighbor coupling, frustrated by a next-nearest neighbor interaction, is studied at zero temperature using a SU(3) Schwinger boson formalism (sometimes also referred to as flavor wave theory) in a mean field approximation. The local constraint is enforced by introducing a Lagrange multiplier. The enlarged Hilbert space of S = 1 spins lead to a nematic phase that is ubiquitous to S = 1 spins with single ion anisotropy. The phase diagram shows two magnetically ordered phase, separated by a quantum paramagnetic (nematic) phase.
Event-chain algorithm for the Heisenberg model: Evidence for z ≃1 dynamic scaling
NASA Astrophysics Data System (ADS)
Nishikawa, Yoshihiko; Michel, Manon; Krauth, Werner; Hukushima, Koji
2015-12-01
We apply the event-chain Monte Carlo algorithm to the three-dimensional ferromagnetic Heisenberg model. The algorithm is rejection-free and also realizes an irreversible Markov chain that satisfies global balance. The autocorrelation functions of the magnetic susceptibility and the energy indicate a dynamical critical exponent z ≈1 at the critical temperature, while that of the magnetization does not measure the performance of the algorithm. We show that the event-chain Monte Carlo algorithm substantially reduces the dynamical critical exponent from the conventional value of z ≃2 .
Event-chain algorithm for the Heisenberg model: Evidence for z≃1 dynamic scaling.
Nishikawa, Yoshihiko; Michel, Manon; Krauth, Werner; Hukushima, Koji
2015-12-01
We apply the event-chain Monte Carlo algorithm to the three-dimensional ferromagnetic Heisenberg model. The algorithm is rejection-free and also realizes an irreversible Markov chain that satisfies global balance. The autocorrelation functions of the magnetic susceptibility and the energy indicate a dynamical critical exponent z≈1 at the critical temperature, while that of the magnetization does not measure the performance of the algorithm. We show that the event-chain Monte Carlo algorithm substantially reduces the dynamical critical exponent from the conventional value of z≃2.
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.
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.
Phase diagram and spin correlations of the Kitaev-Heisenberg model: Importance of quantum effects
NASA Astrophysics Data System (ADS)
Gotfryd, Dorota; Rusnačko, Juraj; Wohlfeld, Krzysztof; Jackeli, George; Chaloupka, Jiří; Oleś, Andrzej M.
2017-01-01
We explore the phase diagram of the Kitaev-Heisenberg model with nearest neighbor interactions on the honeycomb lattice using the exact diagonalization of finite systems combined with the cluster mean field approximation, and supplemented by the insights from analytic approaches: the linear spin-wave and second-order perturbation theories. This study confirms that by varying the balance between the Heisenberg and Kitaev term, frustrated exchange interactions stabilize in this model either one of four phases with magnetic long range order: Néel phase, ferromagnetic phase, and two other phases with coexisting antiferromagnetic and ferromagnetic bonds, zigzag and stripy phase, or one of two distinct spin-liquid phases. Out of these latter disordered phases, the one with ferromagnetic Kitaev interactions has a substantially broader range of stability as the neighboring competing ordered phases, ferromagnetic and stripy, have very weak quantum fluctuations. Focusing on the quantum spin-liquid phases, we study spatial spin correlations and dynamic spin structure factor of the model by the exact diagonalization technique, and discuss the evolution of gapped low-energy spin response across the quantum phase transitions between the disordered spin liquid and phases with long range magnetic order.
Spin glass behavior of the antiferromagnetic Heisenberg model on scale free network
NASA Astrophysics Data System (ADS)
Surungan, Tasrief; Zen, Freddy P.; Williams, Anthony G.
2015-09-01
Randomness and frustration are considered to be the key ingredients for the existence of spin glass (SG) phase. In a canonical system, these ingredients are realized by the random mixture of ferromagnetic (FM) and antiferromagnetic (AF) couplings. The study by Bartolozzi et al. [Phys. Rev. B73, 224419 (2006)] who observed the presence of SG phase on the AF Ising model on scale free network (SFN) is stimulating. It is a new type of SG system where randomness and frustration are not caused by the presence of FM and AF couplings. To further elaborate this type of system, here we study Heisenberg model on AF SFN and search for the SG phase. The canonical SG Heisenberg model is not observed in d-dimensional regular lattices for (d ≤ 3). We can make an analogy for the connectivity density (m) of SFN with the dimensionality of the regular lattice. It should be plausible to find the critical value of m for the existence of SG behaviour, analogous to the lower critical dimension (dl) for the canonical SG systems. Here we study system with m = 2, 3, 4 and 5. We used Replica Exchange algorithm of Monte Carlo Method and calculated the SG order parameter. We observed SG phase for each value of m and estimated its corersponding critical temperature.
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.
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.
Stapp`s quantum dualism: The James/Heisenberg model of consciousness
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.
Carvalho, D C; Plascak, J A; Castro, L M
2013-09-01
A variational approach based on Bogoliubov inequality for the free energy is employed in order to treat the quantum spin-1 anisotropic ferromagnetic Heisenberg model in the presence of a crystal field. Within the Bogoliubov scheme an improved pair approximation has been used. The temperature-dependent thermodynamic functions have been obtained and provide much better results than the previous simple mean-field scheme. In one dimension, which is still nonintegrable for quantum spin-1, we get the exact results in the classical limit, or near-exact results in the quantum case, for the free energy, magnetization, and quadrupole moment, as well for the transition temperature. In two and three dimensions the corresponding global phase diagrams have been obtained as a function of the parameters of the Hamiltonian. First-order transition lines, second-order transition lines, tricritical and tetracritical points, and critical endpoints have been located through the analysis of the minimum of the Helmholtz free energy and a Landau-like expansion in the approximated free energy. Only first-order quantum transitions have been found at zero temperature. Limiting cases, such as isotropic Heisenberg, Blume-Capel, and Ising models, have been analyzed and compared to previous results obtained from other analytical approaches as well as from Monte Carlo simulations.
Emergent Chiral Spin Liquid: Fractional Quantum Hall Effect in a Kagome Heisenberg Model
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
Spontaneous plaquette dimerization in the J_1-J2 Heisenberg model
NASA Astrophysics Data System (ADS)
Capriotti, Luca; Sorella, Sandro
2000-03-01
The nature of the non magnetic phases of a quantum antiferromagnet is a topic of great interest and has been a subject of intense theoretical investigation since Anderson's suggestion [1] about the possible connections with the mechanism of high-Tc superconductivity. Within the Heisenberg model the simplest way in which the antiferromagnetism can be destabilized is by introducing a next-nearest-neighbor frustrating interaction leading to the so called J_1-J2 Hamiltonian. We have investigated the zero temperature properties the spin-half J_1-J2 Heisenberg antiferromagnet on the square lattice using exact diagonalization and the recently developed Green Function Monte Carlo with Stochastic Reconfiguration technique [2]. The spin gap and the susceptibilities for the most important crystal symmetry breaking operators have been computed. A genuine and somehow unexpected ``plaquette RVB'', with spontaneously broken translation symmetry and no broken rotation symmetry, comes out from our numerical simulations as the most plausible ground state for J_2/J1 ~= 0.5 [3]. ^1 P. W. Anderson, Science 235, 1196 (1987). ^2 S. Sorella, Phys. Rev. Lett. 80, 4558 (1998); S. Sorella and L. Capriotti, Phys. Rev. B (in press). ^3 L. Capriotti and S. Sorella, cond-mat/9911161
Multi-level Algorithm for the Anderson Impurity Model
NASA Astrophysics Data System (ADS)
Chandrasekharan, S.; Yoo, J.; Baranger, H. U.
2004-03-01
We develop a new quantum Monte Carlo algorithm to solve the Anderson impurity model. Instead of integrating out the Fermions, we work in the Fermion occupation number basis and thus have direct access to the Fermionic physics. The sign problem that arises in this formulation can be solved by a multi-level technique developed by Luscher and Weisz in the context of lattice QCD [JHEP, 0109 (2001) 010]. We use the directed-loop algorithm to update the degrees of freedom. Further, this algorithm allows us to work directly in the Euclidean time continuum limit for arbitrary values of the interaction strength thus avoiding time discretization errors. We present results for the impurity susceptibility and the properties of the screening cloud obtained using the algorithm.
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.
Multicanonical Monte Carlo simulations of anisotropic SU(3) and SU(4) Heisenberg models
NASA Astrophysics Data System (ADS)
Harada, Kenji; Kawashima, Naoki; Troyer, Matthias
2009-03-01
We present the results of multicanonical Monte Carlo simulations on two-dimensional anisotropic SU(3) and SU(4) Heisenberg models. In our previous study [K. Harada, et al., J. Phys. Soc. Jpn. 76, 013703 (2007)], we found evidence for a direct quantum phase transition from the valence-bond-solid(VBS) phase to the SU(3) symmetry breaking phase on the SU(3) model and we proposed the possibility of deconfined critical phenomena (DCP) [T. Senthil, et al., Science 303, 1490 (2004); T. Grover and T. Senthil, Phys. Rev. Lett. 98, 247202 (2007)]. Here we will present new results with an improved algorithm, using a multicanonical Monte Carlo algorithm. Using a flow method-like technique [A.B. Kuklov, et al., Annals of Physics 321, 1602 (2006)], we discuss the possibility of DCP in both models.
Signatures of Dirac Cones in a DMRG Study of the Kagome Heisenberg Model
NASA Astrophysics Data System (ADS)
He, Yin-Chen; Zaletel, Michael P.; Oshikawa, Masaki; Pollmann, Frank
2017-07-01
The antiferromagnetic spin-1 /2 Heisenberg model on a kagome lattice is one of the most paradigmatic models in the context of spin liquids, yet the precise nature of its ground state is not understood. We use large-scale density matrix renormalization group simulations (DMRG) on infinitely long cylinders and find indications for the formation of a gapless Dirac spin liquid. First, we use adiabatic flux insertion to demonstrate that the spin gap is much smaller than estimated from previous DMRG simulation. Second, we find that the momentum-dependent excitation spectrum, as extracted from the DMRG transfer matrix, exhibits Dirac cones that match those of a π -flux free-fermion model [the parton mean-field ansatz of a U (1 ) Dirac spin liquid].
Exact ground state properties of the classical Heisenberg model for giant magnetic molecules
Axenovich, Maria; Luban, Marshall
2001-03-01
We find the exact ground state energy and magnetic moment for an arbitrary magnetic field H of the classical Heisenberg model of spins on the vertices of an icosidodecahedron. This model provides an accurate description of the magnetic properties of the giant paramagnetic molecule {l_brace}Mo{sub 72}Fe{sub 30}{r_brace} in which 30 Fe{sup 3+} ions are coupled via antiferromagnetic exchange. The strong frustration of the magnetic interaction in the molecule is relaxed when the angle between nearest-neighbor spins is 120{sup o}. We predict that the magnetic moment is linear with H until saturating at a critical field H{sub c}, and this is consistent with the results of a recent experiment at 0.46 K. We derive our results using a graph-theoretical construction and a special property, three-colorability, of the icosidodecahedron. We also consider spins on the vertices of an octahedron, icosahedron, and dodecahedron.
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.
Enhancing the Trace Norm and Bures Norm Measurement-Induced Nonlocality in the Heisenberg XYZ Model
NASA Astrophysics Data System (ADS)
Xie, Yu-Xia; Liu, Jing; Ma, Hong
2016-11-01
Nonlocality is one unique characteristic of quantum mechanics and an essential resource for quantum communication and computation. We investigate two measures of the well-defined geometric measurement-induced nonlocality (MIN) in the Heisenberg XYZ model, and found that considerable enhancement of the MINs can be achieved by tuning strength of the anisotropic parameter, the J z coupling, and the Dzyaloshinsky-Moriya (DM) interaction of the model. Particularly, the maxima of the two MINs can be obtained when the strength of the J z coupling or the DM interaction approaches infinity. We have also demonstrated the singular behaviors of the two MINs such as the nonunique states ordering and the sudden change behaviors.
Pasrija, Kanika Kumar, Sanjeev
2016-05-06
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.
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.
The replica symmetric solution for orthogonally constrained Heisenberg model on Bethe lattice
NASA Astrophysics Data System (ADS)
Concetti, Francesco
2017-02-01
In this paper, we study the thermodynamic properties of a system of D-components classical Heisenberg spins lying on the vertices of a random regular graph, with an unconventional first neighbor non-random interaction J{{≤ft({{\\mathbf{S}}i}\\centerdot {{\\mathbf{S}}k}\\right)}2} . We can consider this model as a continuum version of anti-ferromagnetic D-states Potts model. We compute the paramagnetic free energy, using a new approach, presented in this paper for the first time, based on the replica method. Through the linear stability analysis, we obtain an instability line on the temperature-connectivity plane that provides a bound to the appearance of a phase transition. We also argue about the character of the instability observed.
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.
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.
Magnetic quantum phase transitions of the two-dimensional antiferromagnetic J1-J2 Heisenberg model
NASA Astrophysics Data System (ADS)
Cysne, T. P.; Silva Neto, M. B.
2015-11-01
We obtain the complete magnetic phase diagram of the two-dimensional antiferromagnetic J1\\text-J2 Heisenberg model, 0≤ α=J_2/J1≤1 , within the framework of the O(N) nonlinear sigma model. We find two magnetically ordered phases, one with Néel order, for α ≤ 0.4 , and another with collinear order, for α≥ 0.6 , separated by a nonmagnetic region, for 0.4≤ α ≤ 0.6 , where a gapped spin liquid is found. The transition at α=0.4 is of the second order while the one at α=0.6 is of the first order and the spin gaps cross at α=0.5 . Our results are exact at N → ∞ and agree with numerical results from different methods.
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.
Gyrokinetic modelling of stationary electron and impurity profiles in tokamaks
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.
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.
Thesberg, Mischa; Sørensen, Erik S
2014-10-22
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°, 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.
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.
Effect of quantum phase transition on spin transport in the spatially frustrated Heisenberg model
NASA Astrophysics Data System (ADS)
Lima, L. S.
2017-03-01
We have used the Schwinger's boson theory to study the spin transport in the anisotropic two-dimensional spatially frustrated Heisenberg antiferromagnetic model in the square lattice. Our results show a sudden change in the AC spin conductivity σreg (ω) in the quantum phase transition point, where we have the gap of the system going to zero at critical point Dc=0. We have found a sudden change for a superconductor state in the DC limit ω → 0 independent of the value of the Drude's weight found in the quantum phase transition point. Away from it, we have obtained that the behavior of the spin conductivity changes for single peak at ω =ωp and in this case, σreg (ω) goes to zero in small ω and large ω limits.
Scaling of Entanglement Entropy for the Heisenberg Model on Clusters Joined by Point Contacts
NASA Astrophysics Data System (ADS)
Friedman, B. A.; Levine, G. C.
2016-11-01
The scaling of entanglement entropy for the nearest neighbor antiferromagnetic Heisenberg spin model is studied computationally for clusters joined by a single bond. Bisecting the balanced three legged Bethe cluster, gives a second Renyi entropy and the valence bond entropy which scales as the number of sites in the cluster. For the analogous situation with square clusters, i.e. two L × L clusters joined by a single bond, numerical results suggest that the second Renyi entropy and the valence bond entropy scales as L. For both systems, the environment and the system are connected by the single bond and interaction is short range. The entropy is not constant with system size as suggested by the area law.
Exploring entropic uncertainty relation in the Heisenberg XX model with inhomogeneous magnetic field
NASA Astrophysics Data System (ADS)
Huang, Ai-Jun; Wang, Dong; Wang, Jia-Ming; Shi, Jia-Dong; Sun, Wen-Yang; Ye, Liu
2017-08-01
In this work, we investigate the quantum-memory-assisted entropic uncertainty relation in a two-qubit Heisenberg XX model with inhomogeneous magnetic field. It has been found that larger coupling strength J between the two spin-chain qubits can effectively reduce the entropic uncertainty. Besides, we observe the mechanics of how the inhomogeneous field influences the uncertainty, and find out that when the inhomogeneous field parameter b<1, the uncertainty will decrease with the decrease of the inhomogeneous field parameter b, conversely, the uncertainty will increase with decreasing b under the condition that b>1. Intriguingly, the entropic uncertainty can shrink to zero when the coupling coefficients are relatively large, while the entropic uncertainty only reduces to 1 with the increase of the homogeneous magnetic field. Additionally, we observe the purity of the state and Bell non-locality and obtain that the entropic uncertainty is anticorrelated with both the purity and Bell non-locality of the evolution state.
NASA Astrophysics Data System (ADS)
Vladimirov, Artem A.; Ihle, Dieter; Plakida, Nikolay M.
2017-03-01
We present a spin-rotation-invariant Green-function theory for the dynamic spin susceptibility in the spin-1/2 antiferromagnetic Heisenberg model on a stacked honeycomb lattice. Employing a generalized mean-field approximation for arbitrary temperatures, the thermodynamic quantities (two-spin correlation functions, internal energy, magnetic susceptibility, staggered magnetization, Néel temperature, correlation length) and the spin-excitation spectrum are calculated by solving a coupled system of self-consistency equations for the correlation functions. The temperature dependence of the magnetic (uniform static) susceptibility is ascribed to antiferromagnetic short-range order. The Néel temperature is calculated for arbitrary interlayer couplings. Our results are in a good agreement with numerical computations for finite clusters and with available experimental data on the β-Cu2V2O2 compound.
Phase diagram of the classical Heisenberg model in a trimodal random field distribution
NASA Astrophysics Data System (ADS)
Santos-Filho, A.; Albuquerque, D. F. de; Santos-Filho, J. B.; Batista, T. S. Araujo
2016-11-01
The classical spin 1 / 2 Heisenberg model on a simple cubic lattice, with fluctuating bond interactions between nearest neighbors and in the presence of a random magnetic field, is investigated by effective field theory based on two-spin cluster. The random field is drawn from the asymmetric and anisotropic trimodal probability distribution. The fluctuating bond is extracted from the symmetric and anisotropic bimodal probability. We estimate the transition temperatures, and the phase diagram in the Tc- h, Tc- p and Tc - α planes. We observe that the temperature of the tricritical point decreases with the increase of disorder in exchange interactions until the system ceases to display tricritical behavior. The disorder of the interactions and reentrant phenomena depends on the trimodal distribution of the random field.
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.
EuCo2P2: A Model Molecular-Field Helical Heisenberg Antiferromagnet
Sangeetha, N. S.; Cuervo-Reyes, Eduardo; Pandey, Abhishek; ...
2016-07-19
The metallic compound EuCo2P2 with the body-centered tetragonal ThCr2Si2 structure containing Eu spins-7/2 was previously shown from single-crystal neutron diffraction measurements to exhibit a helical antiferromagnetic (AFM) structure below TN=66.5 K with the helix axis along the c axis and with the ordered moments aligned within the ab plane. Here we report crystallography, electrical resistivity, heat capacity, magnetization, and magnetic susceptibility measurements on single crystals of this compound. We demonstrate that EuCo2P2 is a model molecular-field helical Heisenberg antiferromagnet from comparisons of the anisotropic magnetic susceptibility χ, high-field magnetization, and magnetic heat capacity of EuCo2P2 single crystals at temperature T≤TNmore » with the predictions of our recent formulation of molecular-field theory. Values of the Heisenberg exchange interactions between the Eu spins are derived from the data. The low-T magnetic heat capacity ~T3 arising from spin-wave excitations with no anisotropy gap is calculated and found to be comparable to the lattice heat capacity. The density of states at the Fermi energy of EuCo2P2 and the related compound BaCo2P2 are found from the heat capacity data to be large, 10 and 16 states/eV per formula unit for EuCo2P2 and BaCo2P2, respectively. These values are enhanced by a factor of ~2.5 above those found from DFT electronic structure calculations for the two compounds. Additionally, the calculations also find ferromagnetic Eu–Eu exchange interactions within the ab plane and AFM interactions between Eu spins in nearest- and next-nearest planes, in agreement with the MFT analysis of χab(T≤TN).« less
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) .
Multi-Zone Modeling of Ion-Implanted Impurity Redistribution.
NASA Astrophysics Data System (ADS)
Araujo, Carlos Alberto Paz De.
Implanted impurity redistribution has been observed during the annealing step of many ion-implanted materials. Throughout the ion-implantation literature, experimental evidence suggests some position dependence in the redistribution process. Specifically, the tail region of ion-implanted impurity profiles usually exhibit fast diffusion during annealing whereas the near-surface region shows slow diffusion. To date, redistribution models have failed to include this spacial dependence in the diffusion coefficient of ion -implanted impurities. Analytical expressions for the post -annealing profile are usually found from oversimplified redistribution models that employ Fick's second law with a reflecting surface boundary condition and a homogeneous semi-infinite medium. This modeling scheme is not capable to accommodate regions of high or low redistribution because of the restriction of a single diffusion constant. In general the ideal gaussian LSS profile is assumed as the initial condition rendering an analytic solution to the simple diffusion model that is capable of modeling only gaussian broadening. The approach taken in the present work is to model the ion-implanted substrate as a stratified medium with zones where a local diffusion equation is obeyed. An effective diffusion coefficient is defined within each zone with the intent to lump local disturbances such as defects and precipitates. Thus, regions of low or high redistribution are modeled by zones of large or small effective diffusion coefficients. Because it is not always possible to have an analytical expression for the pre-annealing profile the multi-zone modeling scheme developed in this work accepts any type of initial condition. In order to accomplish this level of generality the Crank-Nicolson numerical formula is used to solve the multi-zone equations. Also, the Crout-Doolittle matrix reduction algorithm is utilized to reduce the computation time. The multi-zone modeling scheme is tested for the case
Quantum phase transitions in the bosonic single-impurity Anderson model
NASA Astrophysics Data System (ADS)
Lee, H.-J.; Bulla, R.
2007-04-01
We consider a quantum impurity model in which a bosonic impurity level is coupled to a non-interacting bosonic bath, with the bosons at the impurity site subject to a local Coulomb repulsion U. Numerical renormalization group calculations for this bosonic single-impurity Anderson model reveal a zero-temperature phase diagram where Mott phases with reduced charge fluctuations are separated from a Bose-Einstein condensed phase by lines of quantum critical points. We discuss possible realizations of this model, such as atomic quantum dots in optical lattices. Furthermore, the bosonic single-impurity Anderson model appears as an effective impurity model in a dynamical mean-field theory of the Bose-Hubbard model.
NASA Astrophysics Data System (ADS)
Janssen, Lukas; Andrade, Eric C.; Vojta, Matthias
2016-12-01
The Heisenberg-Kitaev model is a paradigmatic model to describe the magnetism in honeycomb-lattice Mott insulators with strong spin-orbit coupling, such as A2IrO3 (A =Na , Li ) and α -RuCl3 . Here, we study in detail the physics of the Heisenberg-Kitaev model in an external magnetic field. Using a combination of Monte Carlo simulations and spin-wave theory, we map out the classical phase diagram for different directions of the magnetic field. Broken SU(2) spin symmetry renders the magnetization process rather complex, with sequences of phases and metamagnetic transitions. In particular, we find various large-unit-cell and multi-Q phases including a vortex-crystal phase for a field in the [111 ] direction. We also discuss quantum corrections in the high-field phase.
Janssen, Lukas; Andrade, Eric C; Vojta, Matthias
2016-12-30
The Heisenberg-Kitaev model is a paradigmatic model to describe the magnetism in honeycomb-lattice Mott insulators with strong spin-orbit coupling, such as A_{2}IrO_{3} (A=Na, Li) and α-RuCl_{3}. Here, we study in detail the physics of the Heisenberg-Kitaev model in an external magnetic field. Using a combination of Monte Carlo simulations and spin-wave theory, we map out the classical phase diagram for different directions of the magnetic field. Broken SU(2) spin symmetry renders the magnetization process rather complex, with sequences of phases and metamagnetic transitions. In particular, we find various large-unit-cell and multi-Q phases including a vortex-crystal phase for a field in the [111] direction. We also discuss quantum corrections in the high-field phase.
Gomes, N; Clay, R T; Mazumdar, S
2013-09-25
A frustrated, effective ½-filled band Hubbard-Heisenberg model has been proposed for describing the strongly dimerized charge-transfer solid families κ-(ET)2X and Z[Pd(dmit)2]2. In addition to showing unconventional superconductivity, these materials also exhibit antiferromagnetism, candidate spin-liquid phases, and, in the case of Z=EtMe3P, a spin-gapped phase that has sometimes been referred to as a valence bond solid. We show that neither superconductivity nor the valence bond order phase occurs within the Hubbard-Heisenberg model. We suggest that a description based on ¼-filling, that is reached when the carrier concentration per molecule instead of per dimer is considered, thus may be appropriate.
Kitaev-Heisenberg model on a honeycomb lattice: possible exotic phases in iridium oxides A2IrO3.
Chaloupka, Jirí; Jackeli, George; Khaliullin, Giniyat
2010-07-09
We derive and study a spin one-half Hamiltonian on a honeycomb lattice describing the exchange interactions between Ir4+ ions in a family of layered iridates A2IrO3 (A=Li,Na). Depending on the microscopic parameters, the Hamiltonian interpolates between the Heisenberg and exactly solvable Kitaev models. Exact diagonalization and a complementary spin-wave analysis reveal the presence of an extended spin-liquid phase near the Kitaev limit and a conventional Néel state close to the Heisenberg limit. The two phases are separated by an unusual stripy antiferromagnetic state, which is the exact ground state of the model at the midpoint between two limits.
NASA Astrophysics Data System (ADS)
Song, Chuang-Chuang; Chen, Yuan; Liu, Ming-Wei
2010-01-01
The magnetic properties of the one-dimensional spin-1 ferromagnetic Heisenberg model are investigated by Green's function method. The magnetic properties of the system are treated by the random phase approximation for the exchange interaction term, and the Anderson-Callen approximation for the single-ion anisotropy term. The critical temperature, magnetization, and susceptibility are found to be dependent of the anisotropies. Our results are in agreement with the other theoretical results.
Quantum entanglement and criticality of the antiferromagnetic Heisenberg model in an external field.
Liu, Guang-Hua; Li, Ruo-Yan; Tian, Guang-Shan
2012-06-27
By Lanczos exact diagonalization and the infinite time-evolving block decimation (iTEBD) technique, the two-site entanglement as well as the bipartite entanglement, the ground state energy, the nearest-neighbor correlations, and the magnetization in the antiferromagnetic Heisenberg (AFH) model under an external field are investigated. With increasing external field, the small size system shows some distinct upward magnetization stairsteps, accompanied synchronously with some downward two-site entanglement stairsteps. In the thermodynamic limit, the two-site entanglement, as well as the bipartite entanglement, the ground state energy, the nearest-neighbor correlations, and the magnetization are calculated, and the critical magnetic field h(c) = 2.0 is determined exactly. Our numerical results show that the quantum entanglement is sensitive to the subtle changing of the ground state, and can be used to describe the magnetization and quantum phase transition. Based on the discontinuous behavior of the first-order derivative of the entanglement entropy and fidelity per site, we think that the quantum phase transition in this model should belong to the second-order category. Furthermore, in the magnon existence region (h < 2.0), a logarithmically divergent behavior of block entanglement which can be described by a free bosonic field theory is observed, and the central charge c is determined to be 1.
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.
Abu-Labdeh, A M; MacIsaac, A B; De'Bell, K
2011-07-27
The effects of a uniform magnetic field on the phase diagram of the dipolar Heisenberg model with a dominant antiferromagnetic exchange interaction have been investigated. The model consists of a square lattice of classical spin vectors, where the spins interact through an antiferromagnetic exchange interaction of strength J and a dipole-dipole interaction of strength g. The spins couple to a magnetic surface anisotropy of strength κ and to an applied external magnetic field of strength H. The external field is applied perpendicular to the plane of the lattice. From extensive Monte Carlo simulations, representative magnetic phase diagrams have been determined as a function of the ratios κ/g and T/g, where T is temperature, and at three different ratios of H/g (H/g = 10, 20, 27). These results are compared to the previously investigated case of H/g = 0 and to analytic calculations for the ground state energies. The nature of the equilibrium phases and order of the phase boundaries separating them are considered and changes due to the strength of the applied field are highlighted.
NASA Astrophysics Data System (ADS)
Merker, L.; Weichselbaum, A.; Costi, T. A.
2012-08-01
Recent developments in the numerical renormalization group (NRG) allow the construction of the full density matrix (FDM) of quantum impurity models [see A. Weichselbaum and J. von Delft, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.99.076402 99, 076402 (2007)] by using the completeness of the eliminated states introduced by F. B. Anders and A. Schiller [F. B. Anders and A. Schiller, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.95.196801 95, 196801 (2005)]. While these developments prove particularly useful in the calculation of transient response and finite-temperature Green's functions of quantum impurity models, they may also be used to calculate thermodynamic properties. In this paper, we assess the FDM approach to thermodynamic properties by applying it to the Anderson impurity model. We compare the results for the susceptibility and specific heat to both the conventional approach within NRG and to exact Bethe ansatz results. We also point out a subtlety in the calculation of the susceptibility (in a uniform field) within the FDM approach. Finally, we show numerically that for the Anderson model, the susceptibilities in response to a local and a uniform magnetic field coincide in the wide-band limit, in accordance with the Clogston-Anderson compensation theorem.
Thermal entanglement of a spin-1/2 Ising-Heisenberg model on a symmetrical diamond chain.
Ananikian, N S; Ananikyan, L N; Chakhmakhchyan, L A; Rojas, Onofre
2012-06-27
The entanglement quantum properties of a spin-1/2 Ising-Heisenberg model on a symmetrical diamond chain were analyzed. Due to the separable nature of the Ising-type exchange interactions between neighboring Heisenberg dimers, calculation of the entanglement can be performed exactly for each individual dimer. Pairwise thermal entanglement was studied in terms of the isotropic Ising-Heisenberg model and analytical expressions for the concurrence (as a measure of bipartite entanglement) were obtained. The effects of external magnetic field H and next-nearest neighbor interaction J(m) between nodal Ising sites were considered. The ground state structure and entanglement properties of the system were studied in a wide range of coupling constant values. Various regimes with different values of ground state entanglement were revealed, depending on the relation between competing interaction strengths. Finally, some novel effects, such as the two-peak behavior of concurrence versus temperature and coexistence of phases with different values of magnetic entanglement, were observed.
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).
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).
NASA Astrophysics Data System (ADS)
Liu, Yu; Zhang, Guang-Ming; Yu, Lu
2014-08-01
In the two-dimensional Kondo—Heisenberg lattice model away from half-filled, the local antiferromagnetic exchange coupling can provide the pairing mechanism of quasiparticles via the Kondo screening effect, leading to the heavy fermion superconductivity. We find that the pairing symmetry strongly depends on the Fermi surface (FS) structure in the normal metallic state. When JH/JK is very small, the FS is a small hole-like circle around the corner of the Brillouin zone, and the s-wave pairing symmetry has a lower ground state energy. For the intermediate coupling values of JH/JK, the extended s-wave pairing symmetry gives the favored ground state. However, when JH/JK is larger than a critical value, the FS transforms into four small hole pockets crossing the boundary of the magnetic Brillouin zone, and the d-wave pairing symmetry becomes more favorable. In that regime, the resulting superconducting state is characterized by either a nodal d-wave or nodeless d-wave state, depending on the conduction electron filling factor as well. A continuous phase transition exists between these two states. This result may be related to the phase transition of the nodal d-wave state to a fully gapped state, which has recently been observed in Yb-doped CeCoIn5.
Dynamical structure factors and excitation modes of the bilayer Heisenberg model
NASA Astrophysics Data System (ADS)
Lohöfer, M.; Coletta, T.; Joshi, D. G.; Assaad, F. F.; Vojta, M.; Wessel, S.; Mila, F.
2015-12-01
Using quantum Monte Carlo simulations along with higher-order spin-wave theory, bond-operator and strong-coupling expansions, we analyze the dynamical spin structure factor of the spin-half Heisenberg model on the square-lattice bilayer. We identify distinct contributions from the low-energy Goldstone modes in the magnetically ordered phase and the gapped triplon modes in the quantum disordered phase. In the antisymmetric (with respect to layer inversion) channel, the dynamical spin structure factor exhibits a continuous evolution of spectral features across the quantum phase transition, connecting the two types of modes. Instead, in the symmetric channel, we find a depletion of the spectral weight when moving from the ordered to the disordered phase. While the dynamical spin structure factor does not exhibit a well-defined distinct contribution from the amplitude (or Higgs) mode in the ordered phase, we identify an only marginally damped amplitude mode in the dynamical singlet structure factor, obtained from interlayer bond correlations, in the vicinity of the quantum critical point. These findings provide quantitative information in direct relation to possible neutron or light scattering experiments in a fundamental two-dimensional quantum-critical spin system.
Investigations of the Quantum Correlation in Two-Qubit Heisenberg XYZ Model with Decoherence
NASA Astrophysics Data System (ADS)
Guo-Hui, Yang
2017-03-01
Quantum correlation dynamics in an anisotropic Heisenberg XYZ model under decoherence is investigated with the use of concurrence C and quantum discord (QD). With the Werner state as the initial state, we discuss the influence of mixture degree r on the dynamics. There are some difference between the time evolution behaviors of these two correlation measures with different value of r. For 0 ≤ r ≤ 1/3, there exists quantum discord but no entanglement; For 1/3< r<1, there is a "entanglement sudden death and birth" phenomenon in the concurrence but not in the QD; For r=1, there is one interesting thing that the concurrence decays from 1 to a minimum value close to 0 but the QD vanish. In addition, we have investigated the influence of different parameters on the two correlation measures. It has been found that, the concurrence and QD both exhibit osillatory behaviors with the time evolution, which is independent on the magnetic field B and the coupling coefficient J z . However, the Dzyaloshinskii-Moriya interaction (D) and coupling coefficient J have strong influence on concurrence and QD. With the increasing of the D or J, the frequency of the oscillation getting larger. When time is fixed, with the increasing of D or J, the concurrence and QD change periodically.
Zero-temperature phase diagram of the classical Kane-Mele-Heisenberg model
NASA Astrophysics Data System (ADS)
Zare, Mohammad H.; Fazileh, Farhad; Shahbazi, Farhad
2013-06-01
The classical phase diagram of the Kane-Mele-Heisenberg model is obtained using three complementary methods: Luttinger-Tisza, variational minimization, and the iterative minimization method. Six distinct phases were obtained in the space of the couplings. Three phases are commensurate with long-range ordering: planar Néel states in horizontal plane (phase I), planar states in the plane vertical to the horizontal plane (phase VI), and collinear states normal to the horizontal plane (phase II). However, the other three are infinitely degenerate due to the frustrating competition between the couplings, and they are characterized by a manifold of incommensurate wave vectors. These phases are planar helical states in a horizontal plane (phase III), planar helical states in a vertical plane (phase IV), and non-coplanar states (phase V). Employing the linear spin-wave analysis, it is found that the quantum fluctuations select a set of symmetrically equivalent states in phase III through the quantum order-by-disorder mechanism. Based on some heuristic arguments, it is argued that the same scenario may also occur in the other two frustrated phases VI and V.
NASA Astrophysics Data System (ADS)
Yarmohammadi, Mohsen
2016-12-01
Using the Harrison model and Green's function technique, impurity doping effects on the orbital density of states (DOS), electronic heat capacity (EHC) and magnetic susceptibility (MS) of a monolayer hydrogenated graphene, chair-like graphane, are investigated. The effect of scattering between electrons and dilute charged impurities is discussed in terms of the self-consistent Born approximation. Our results show that the graphane is a semiconductor and its band gap decreases with impurity. As a remarkable point, comparatively EHC reaches almost linearly to Schottky anomaly and does not change at low temperatures in the presence of impurity. Generally, EHC and MS increases with impurity doping. Surprisingly, impurity doping only affects the salient behavior of py orbital contribution of carbon atoms due to the symmetry breaking.
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).
Modeling of the Microchemistry for Diffusion of Selected Impurities in Uranium
Kirkpatrick, J. R.; Bullock, J.S. IV
2001-09-01
Unalloyed metallic uranium used in some work done at Y-12 contains small quantities of impurities, the three most significant of which are carbon, iron, and silicon. During metallurgical processing, as the metal cools from a molten condition towards room temperature, the metallic matrix solution becomes supersaturated in each of the impurities whose concentration exceeds the solubility limit. Many impurity atoms form compounds with uranium that precipitate out of the solution, thus creating and growing inclusions. The objective of the present work is to study the distribution of impurity atoms about some of the inclusions, with a view toward examining the effect of the interaction between inclusions on the impurity atom distribution. The method used is time-dependent mass diffusion from the supersaturated solution to the surfaces of the inclusions. Micrographs of metal samples suggest that the inclusions form in successive stages. After each inclusion forms, it begins to draw impurity atoms from its immediate vicinity, thus altering the amounts and distributions of impurity atoms available for formation and growth of later inclusions. In the present work, a one-dimensional spherical approximation was used to simulate inclusions and their regions of influence. A first set of calculations was run to simulate the distribution of impurity atoms about the largest inclusions. Then, a second set of calculations was run to see how the loss of impurity atoms to the largest inclusions might affect the distribution of impurity atoms around the next stage of inclusions. Plots are shown for the estimated distributions of impurity atoms in the region of influence about the inclusions for the three impurities studied. The authors believe that these distributions are qualitatively correct. However, there is enough uncertainty about precisely when inclusions nucleate and begin to grow that one should not put too much reliance on the quantitative results. This work does provide a
Two-Step Inverse Modeling for Estimation of Channel Impurity Pile-up
NASA Astrophysics Data System (ADS)
Nagumo, Toshiharu; Takeuchi, Kiyoshi; Akiyama, Yutaka; Hane, Masami
2008-04-01
A scheme for estimating the amount of channel impurity pile-up using inverse modeling assuming a simplified effective impurity profile is proposed. Impurity profile is divided into deep and surface regions, and they are evaluated in two steps. In the first step, the impurity profile in the deep region is determined using the shift of threshold voltage, and then in the second step, the impurity profile in the surface region is determined using the threshold voltage. By taking drain-induced barrier lowering (DIBL) into account, this scheme can be used to estimate the effective impurity profile in short-channel devices, and thus, can be used to evaluate the gate length dependence of the channel impurity pile-up. Evaluated results on n-type metal-oxide-semiconductor field-effect transistors (MOSFETs) indicate that the impurity pile-up is strong and gate-length-dependent in spike-annealed MOSFETs, whereas laser-annealed MOSFETs show almost no impurity pile-up. The proposed scheme can be used to clearly detect such process condition dependence, and therefore, is helpful for process optimization.
The spin-1 J1-J3 Heisenberg model on a triangular lattice
NASA Astrophysics Data System (ADS)
Rubin, P.; Sherman, A.
2017-05-01
Motivated by the experimental data for NiGa2S4, the spin-1 Heisenberg model on a triangular lattice with the ferromagnetic nearest- and antiferromagnetic third-nearest-neighbor exchange interactions, J1 = -(1 - p)J and J3 = pJ, J > 0, is studied in the range 0 ≤ p ≤ 1. Mori’s projection operator technique and the Lanczos exact diagonalization are used. Mori’s method retains the rotation symmetry of spin components and does not anticipate any magnetic ordering. For zero temperature several phase transitions are observed. At pcr ≈ 0.2 the ground state is transformed from the ferromagnetic spin structure into a disordered state, which in its turn is changed to an antiferromagnetic long-range ordered state with the incommensurate ordering vector Q‧ ≈ (1.16, 0) at p ≈ 0.31. With growing p the ordering vector moves along the X axis to the commensurate point Qc = (2π/3, 0) which is reached at p = 1. The final state with an antiferromagnetic long-range order can be conceived as four interpenetrating sublattices with the 120° spin structure on each of them. The model is able to describe the state with the incommensurate short-range order observed in NiGa2S4. To verify the used approach the ground state energy and corresponding spin-spin correlations are compared with exact-diagonalization results obtained with the SPINPACK code (the Lanczos exact diagonalization). Results of the two methods are in qualitative agreement.
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.
Leblanc, M D; Whitehead, J P; Plumer, M L
2013-05-15
A combination of Metropolis and modified Wolff cluster algorithms is used to examine the impact of uniaxial single-ion anisotropy on the phase transition to ferromagnetic order of Heisenberg macrospins on a 2D square lattice. This forms the basis of a model for granular perpendicular recording media where macrospins represent the magnetic moment of grains. The focus of this work is on the interplay between anisotropy D, intragrain exchange J' and intergrain exchange J on the ordering temperature T(C) and extends our previous reported analysis of the granular Ising model. The role of intragrain degrees of freedom in heat assisted magnetic recording is discussed.
NASA Astrophysics Data System (ADS)
Leblanc, M. D.; Whitehead, J. P.; Plumer, M. L.
2013-05-01
A combination of Metropolis and modified Wolff cluster algorithms is used to examine the impact of uniaxial single-ion anisotropy on the phase transition to ferromagnetic order of Heisenberg macrospins on a 2D square lattice. This forms the basis of a model for granular perpendicular recording media where macrospins represent the magnetic moment of grains. The focus of this work is on the interplay between anisotropy D, intragrain exchange J‧ and intergrain exchange J on the ordering temperature TC and extends our previous reported analysis of the granular Ising model. The role of intragrain degrees of freedom in heat assisted magnetic recording is discussed.
Toward understanding and modeling of impurity gettering in silicon
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.
The completeness problem in the impurity Anderson model
NASA Astrophysics Data System (ADS)
Lobo, T.; Figueira, M. S.; Franco, R.; Silva-Valencia, J.; Foglio, M. E.
2007-09-01
With the recent development of the nanoscopic technology, the impurity Anderson model (AIM) was experimentally realized in quantum dot devices, and there is renewed interest in the study of the Kondo physics of the AIM. Several Green's functions approximations by the equation of motion method (EOM), that incorporates the Kondo effect through a digamma function, have been presented in the literature as an adequate tool to describe, at least qualitatively, the Kondo effect. However, these approximations present several drawbacks: they are no longer valid as the temperature decreases below the Kondo temperature, because the logarithmic divergence of the digamma function makes the spectral density at the chemical potential to vanish, and the Friedel sum rule and the completeness in the occupation numbers are not fulfilled. In this work we present a critical discussion comparing the results of digamma approximations GF with the atomic approach, recently developed by some of us, that satisfy the completeness and the Friedel sum rule. We present results for the density of states, the Friedel sum rule and the completeness.
NASA Astrophysics Data System (ADS)
Yamaguchi, K.; Okumura, M.; Mori, W.; Maki, J.; Takada, K.; Noro, T.; Tanaka, K.
1993-07-01
Spin-restricted and unrestricted post-Hartree—Fock calculations were carried out for clusters of triplet methylene and nitroxide radicals. The UHF-based methods such as UMP and QCISD followed by approximate spin projection provide reasonable energy differences between the high-and low-spin states of these species. They are close to the corresponding values from spin-restricted multi-reference (MR) approaches such as CASSCF and second-order (SO) CI. Implications of SOCI and MRSDCI results are discussed in relation to the size inconsistency erros involved in ab initio calculations of weak interaction energies, such as the effective exchange integrals in Ising and Heisenberg models.
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.
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
NASA Astrophysics Data System (ADS)
Ananikian, N.; Hovhannisyan, V.
2013-05-01
The exactly solvable spin-{1}/{2} Ising-Heisenberg model on a diamond chain has been considered. We have found the exact results for the magnetization using the recursion relation method. The existence of the magnetization plateau has been observed at one third of the saturation magnetization in the antiferromagnetic case. Some ground-state properties of the model are examined. At low temperatures, the system has two ferrimagnetic (FRI1 and FRI2) phases and one paramagnetic (PRM) phase. Lyapunov exponents for the various values of the exchange parameters and temperatures have been analyzed. It has also been shown that the maximal Lyapunov exponent exhibits plateau. Lyapunov exponents exhibit different behavior for two ferrimagnetic phases. We have found the existence of the supercritical point for the multi-dimensional rational mapping of the spin-{1}/{2} Ising-Heisenberg model on a diamond chain for the first time in the absence of the external magnetic field and T→0 in the antiferromagnetic case.
Modified Heisenberg model for the zig-zag structure in multiferroic RMn{sub 2}O{sub 5}
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.
Monte Carlo study of phase transitions and magnetic properties of LaMnO3: Heisenberg model
NASA Astrophysics Data System (ADS)
Naji, S.; Benyoussef, A.; El Kenz, A.; Ez-Zahraouy, H.; Loulidi, M.
2012-08-01
On the basis of ab initio calculations (FPLO) and Monte Carlo Simulations (MCS) the phase diagrams and magnetic properties of the bulk perovskite LaMnO3 have been studied, using the Heisenberg model. It is shown, using ab initio calculations in the scalar relativistic scheme, that the stable phase is the antiferromagnetic A-type, which corresponds to ferromagnetic order of the manganese ions in the basal planes (a,b) and antiferromagnetic order of these ions between these planes along the c axis. Using the full four-component relativistic scheme, in order to calculate the magnetic anisotropy energy and constants, it is found that the favorable magnetic direction is the (010) b axis. The transition temperatures and the critical exponents are obtained in the framework of Monte Carlo simulations. The magnetic anisotropy and the exchange couplings of the Heisenberg model are deduced from ab initio calculations. They lead, by using Monte Carlo simulations, to a quantitative agreement with the experimental transition temperatures.
NASA Astrophysics Data System (ADS)
Takayama, Tomohiro; Matsumoto, Akiyo; Jackeli, George; Takagi, Hidenori
2016-12-01
We report the analysis of magnetic susceptibility χ (T ) of Sr2IrO4 single crystal in the paramagnetic phase. We formulate the theoretical susceptibility based on isotropic Heisenberg antiferromagnetism incorporating the Dzyaloshinsky-Moriya interaction exactly, and include the interlayer couplings in a mean-field approximation. χ (T ) above TN was found to be well described by the model, indicating the predominant Heisenberg exchange consistent with the microscopic theory. The analysis points to a competition of nearest and next-nearest-neighbor interlayer couplings, which results in the up-up-down-down configuration of the in-plane canting moments identified by the diffraction experiments.
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.
Anomalous spin excitation spectrum of the Heisenberg model in a magnetic field.
Syljuåsen, Olav F; Lee, Patrick A
2002-05-20
Making the assumption that high-energy fermions exist in the two dimensional spin- 1/2 Heisenberg antiferromagnet, we present predictions based on the pi-flux ansatz for the dynamic structure factor when the antiferromagnet is subject to a uniform magnetic field. The main result is the presence of gapped excitations in a momentum region near (pi,pi) with energy lower than that at (pi,pi). This is qualitatively different from spin-wave theory predictions and may be tested by experiments or by quantum Monte Carlo.
Spontaneous plaquette dimerization in the J1-J2 heisenberg model
Capriotti; Sorella
2000-04-03
We investigate the nonmagnetic phase of the spin-half frustrated Heisenberg antiferromagnet on the square lattice using exact diagonalization (up to 36 sites) and quantum Monte Carlo techniques (up to 144 sites). The spin gap and the susceptibilities for the most important crystal symmetry breaking operators are computed. A genuine and somehow unexpected "plaquette resonating valence bond," with spontaneously broken translation symmetry and no broken rotation symmetry, comes out from our numerical simulations as the most plausible ground state for J(2)/J(1) approximately 0.5.
Kinetic model of phase separation in binary mixtures with hard mobile impurities.
Ginzburg, V V; Peng, G; Qiu, F; Jasnow, D; Balazs, A C
1999-10-01
We develop a mean-field rate-equation model for the kinetics of phase separation in binary mixtures with hard mobile impurities. For impurities preferentially wet by one of the components, the phase separation is arrested in the late stage. The "steady-state" domain size depends strongly on both the particle diffusion constant and the particle concentration. We compare theoretical results with the simulation data and find good qualitative agreement.
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.
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 J(1) and antiferromagnetic third nearest-neighbor interaction J(3) in each triangular layer and the ferromagnetic interlayer interaction J([perpendicular]). Frustration comes from the intralayer interactions J(1) and J(3). We focus on the case that the order parameter space is SO(3)×C(3). We find that the model exhibits a first-order phase transition with breaking of the SO(3) and C(3) symmetries at finite temperature. We also discover that the transition temperature increases but the latent heat decreases as J([perpendicular])/J(1) increases, which is opposite to the behavior observed in typical unfrustrated three-dimensional systems.
Model for the catalytic oxidation of CO, including gas-phase impurities and CO desorption.
Buendía, G M; Rikvold, P A
2013-07-01
We present results of kinetic Monte Carlo simulations of a modified Ziff-Gulari-Barshad model for the reaction CO+O → CO(2) on a catalytic surface. Our model includes impurities in the gas phase, CO desorption, and a modification known to eliminate the unphysical O poisoned phase. The impurities can adsorb and desorb on the surface, but otherwise remain inert. In a previous work that did not include CO desorption [Buendía and Rikvold, Phys. Rev. E 85, 031143 (2012)], we found that the impurities have very distinctive effects on the phase diagram and greatly diminish the reactivity of the system. If the impurities do not desorb, once the system reaches a stationary state, the CO(2) production disappears. When the impurities are allowed to desorb, there are regions where the CO(2) reaction window reappears, although greatly reduced. Following experimental evidence that indicates that temperature effects are crucial in many catalytic processes, here we further analyze these effects by including a CO desorption rate. We find that the CO desorption has the effect to smooth the transition between the reactive and the CO rich phase, and most importantly it can counteract the negative effects of the presence of impurities by widening the reactive window such that now the system remains catalytically active in the whole range of CO pressures.
NASA Astrophysics Data System (ADS)
Wietek, Alexander; Läuchli, Andreas M.
2017-01-01
We investigate the J1-J2 Heisenberg model on the triangular lattice with an additional scalar chirality term and show that a chiral spin liquid is stabilized in a sizable region of the phase diagram. This topological phase is situated in between a coplanar 120∘ Néel ordered and a noncoplanar tetrahedrally ordered phase. Furthermore we discuss the nature of the spin-disordered intermediate phase in the J1-J2 model. We compare the ground states from exact diagonalization with a Dirac spin liquid wave function and propose a scenario where this wave function describes the quantum critical point between the 120∘ magnetically ordered phase and a putative Z2 spin liquid.
Spin-anisotropic magnetic impurity in a Fermi gas: Integration of poor man's scaling equations
NASA Astrophysics Data System (ADS)
Kogan, Eugene; Noda, Kazuto; Yunoki, Seiji
2017-04-01
We consider a single magnetic impurity described by the spin-anisotropic s -d (f ) exchange (Kondo) model and formulate a scaling equation for the spin-anisotropic model when the density of states (DOS) of electrons is a power-law function of energy (measured relative to the Fermi energy). We solve this equation containing terms up to the second order in coupling constants in terms of elliptic functions. From the obtained solution we find the phases corresponding to the infinite isotropic antiferromagnetic Heisenberg exchange, to the impurity spin decoupled from the electron environment (only for the pseudogap DOS), and to the infinite Ising exchange (only for the diverging DOS). We analyze the critical surfaces, corresponding to the finite isotropic antiferromagnetic Heisenberg exchange for the pseudogap DOS.
Geometric Quantum Discord in the Heisenberg XX Model with Three-Spin Interactions
NASA Astrophysics Data System (ADS)
Xie, Yu-Xia; Liu, Jing; Sun, Yu-Hang
2017-02-01
Quantum discord is a resource for quantum information processing tasks, and seeking flexible ways to control it is of practical significance. We investigate the trace distance, Bures distance, and Hellinger distance geometric quantum discords (GQDs) for thermal states of the Heisenberg XX chain with three-spin interactions. The results show that both the XZX + YZY and XZY - YZX types of three-spin interactions can be used to enhance evidently the GQDs for the boundary spins of the chain. The optimal strengths of three-spin interactions for which the maximum enhancement of the GQDs are achieved are strongly dependent on the GQD measures we adopted and the number of spins in the chain.
Rufo, Sabrina; Mendonça, Griffith; Plascak, J A; de Sousa, J Ricardo
2013-09-01
The ground-state properties of the quasi-one-dimensional spin-1/2 antiferromagnetic Heisenberg model is investigated by using a variational method. Spins on chains along the x direction are antiferromagnetically coupled with exchange J>0, while spins between chains in the y direction are coupled either ferromagnetically (J' < 0) or antiferromagnetically (J' > 0). The staggered and the colinear antiferromagnetic magnetizations are computed and their dependence on the anisotropy parameter λ=|J'|/J is analyzed. It is found that an infinitesimal interchain coupling parameter is sufficient to stabilize a long-range order with either a staggered magnetization m_{s} (J' > 0) or a colinear antiferromagnetic magnetization m_{caf} (J' < 0), both behaving as ≃λ¹/² for λ → 0.
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.
NASA Astrophysics Data System (ADS)
Liu, Ming-Wei; Chen, Yuan; Song, Chuang-Chuang; Wu, You; Ding, Hai-Ling
2011-03-01
The effect of magnetic field h on the magnetic properties of the one-dimensional spin-1 ferromagnetic Heisenberg model is studied by the double-time Green's function method. The magnetization and susceptibility are obtained within the Callen approximation. The zero-field susceptibility is as a decreasing function of the temperature T. The magnetization m increases in the whole field region, but the susceptibility maximum χ(Tm) decreases. The position Tm of the susceptibility maximum is both solved analytically and fits well to be a power law Tm∼hγ at low fields and to be linear increasing at high fields. The height χ(Tm) decreases as a power law χ(Tm)∼h with h increasing. The exponents (γ,β) obtained in our results agree with the other theoretical results. Our results are roughly in agreement with the results obtained in the experiment of Ni(OH)(NO3)H2O.
NASA Astrophysics Data System (ADS)
Krokhmalskii, Taras; Baliha, Vasyl; Derzhko, Oleg; Schulenburg, Jörg; Richter, Johannes
2017-03-01
We consider the spin-1/2 antiferromagnetic Heisenberg model on a bilayer honeycomb lattice including interlayer frustration in the presence of an external magnetic field. In the vicinity of the saturation field, we map the low-energy states of this quantum system onto the spatial configurations of hard hexagons on a honeycomb lattice. As a result, we can construct effective classical models (lattice-gas as well as Ising models) on the honeycomb lattice to calculate the properties of the frustrated quantum Heisenberg spin system in the low-temperature regime. We perform classical Monte Carlo simulations for a hard-hexagon model and adopt known results for an Ising model to discuss the finite-temperature order-disorder phase transition that is driven by a magnetic field at low temperatures. We also discuss an effective-model description around the ideal frustration case and find indications for a spin-flop-like transition in the considered isotropic spin model.
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.
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.
NASA Astrophysics Data System (ADS)
Homma, Y.; Yamoto, S.; Sawada, Y.; Inoue, H.; Hatayama, A.
2016-03-01
A new kinetic model for neoclassical impurity particle transport simulation has been developed. Our model is able to simulate the following two effects, which have been theoretically predicted, but neglected in most of the existing kinetic impurity transport simulations in the SOL (scrape-off layer)/Divertor plasmas of tokamak; (1) the neoclassical inward pinch (NC IWP) due to the density gradient of background plasmas and (2) the neoclassical temperature screening effect (NC TSE, outward transport) caused by the plasma temperature gradient. The IWP and TSE, both proportional to the impurity charge number Z, become especially important for higher-Z impurities such as tungsten. In this paper we focus on the case where background plasmas are in the Pfirsch-Schlüter regime. The velocity distribution of background plasma ions is modelled by a distorted Maxwellian distribution, which includes the Pfirsch-Schlüter flow velocity and the Pfirsch-Schlüter heat flux density, in order to reproduce the NC IWP and NC TSE. A series of test simulations have been performed for a toroidal magnetic field geometry. Characteristics of the neoclassical transport, such as dependencies on the safety factor and on the impurity charge number, have been confirmed.
Low-energy physics of three-orbital impurity model with Kanamori interaction
NASA Astrophysics Data System (ADS)
Horvat, Alen; Žitko, Rok; Mravlje, Jernej
2016-10-01
We discuss the low-energy physics of the three-orbital Anderson impurity model with the Coulomb interaction term of the Kanamori form which has orbital SO(3) and spin SU(2) symmetry and describes systems with partially occupied t2 g shells. We focus on the case with two electrons in the impurity that is relevant to Hund's metals. Using the Schrieffer-Wolff transformation we derive an effective Kondo model with couplings between the bulk and impurity electrons expressed in terms of spin, orbital, and orbital quadrupole operators. The bare spin-spin Kondo interaction is much smaller than the orbit-orbit and spin-orbital couplings or is even ferromagnetic. Furthermore, the perturbative scaling equations indicate faster renormalization of the couplings related to orbital degrees of freedom compared to spin degrees of freedom. Both mechanisms lead to a slow screening of the local spin moment. The model thus behaves similarly to the related quantum impurity problem with a larger SU(3) orbital symmetry (Dworin-Narath interaction) where this was first observed. We find that the two problems actually describe the same low-energy physics since the SU(3) symmetry is dynamically established through the renormalization of the splittings between the orbital and quadrupole coupling constants to zero. The perturbative renormalization group results are corroborated with the numerical-renormalization group (NRG) calculations. The dependence of spin Kondo temperatures and orbital Kondo temperatures as a function of interaction parameters, the hybridization, and the impurity occupancy is calculated and discussed.
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.
NASA Astrophysics Data System (ADS)
Altenberend, J.; Delannoy, Y.; Nehari, A.; Chichignoud, G.; Zaidat, K.
2017-01-01
During crystal growth, the fluid flow plays an important role on the quantity and distribution of impurities in the crystal. This study examines with modelling and experiments the removal of impurities from the solidification front for the case where a turbulent fluid flow increases the effective diffusivity. The theoretical model is based on the properties of turbulent boundary layers. It predicts a transition between the diffusive regime (no segregation) and the convective regime (efficient segregation) when the stirring velocity is higher than a threshold depending on the solidification rate. Efficient segregation is generally obtained when the stirring velocity is 105 times higher than the solidification rate. Silicon solidification experiments in a Taylor-Couette flow showed that concentrations in the crystal are close to the thermodynamic minimum for stirring velocities above the threshold. This result shows that the turbulent fluid flow efficiently removes impurities from the solidification front and validates the theoretical model.
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.
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.
Quantum Dense Coding About a Two-Qubit Heisenberg XYZ Model
NASA Astrophysics Data System (ADS)
Xu, Hui-Yun; Yang, Guo-Hui
2017-09-01
By taking into account the nonuniform magnetic field, the quantum dense coding with thermal entangled states of a two-qubit anisotropic Heisenberg XYZ chain are investigated in detail. We mainly show the different properties about the dense coding capacity ( χ) with the changes of different parameters. It is found that dense coding capacity χ can be enhanced by decreasing the magnetic field B, the degree of inhomogeneity b and temperature T, or increasing the coupling constant along z-axis J z . In addition, we also find χ remains the stable value as the change of the anisotropy of the XY plane Δ in a certain temperature condition. Through studying different parameters effect on χ, it presents that we can properly turn the values of B, b, J z , Δ or adjust the temperature T to obtain a valid dense coding capacity ( χ satisfies χ > 1). Moreover, the temperature plays a key role in adjusting the value of dense coding capacity χ. The valid dense coding capacity could be always obtained in the lower temperature-limit case.
Critical behavior of the site diluted quantum anisotropic Heisenberg model in two dimensions
NASA Astrophysics Data System (ADS)
Lima, L. S.; Pires, A. S. T.; Costa, B. V.
2015-11-01
In this work we use the Self Consistent Harmonic Approximation and Quantum Monte Carlo technique to study the Quantum XY on a two dimensional square lattice in the presence of nonmagnetic impurities. In particular we discuss how site disorder changes the Berezinskii-Kosterlitz-Thouless transition temperature, TBKT. This temperature is determined as a function of the nonmagnetic density. Our results are consistent with an anomalous behavior of TBKT at a concentration close to the site percolation threshold. We interpret the results as due to a competition between the confining of vortices and quantum fluctuations, or due to finite size effects.
Goldenbaum, G.C.; Granneman, E.H.A.; Hartman, C.W.; Prono, D.S.; Taska, J.; Turner, W.C.
1982-08-10
Several types of radiation measurements were performed on the Beta II compact forms experiment. Among these are time integrated spectra ranging in wavelength from the vuv to the uv, time resolved bolometer measurements of radiation from the x-ray to the infrared, and time and wavelength resolved measurements of certain spectral lines. It is difficult to relate any one of these measurements to plasma parameters of interest such as temperature, density, or impurity content. In this report we compare the results of these, and other measurements with two simple models of the power balance in the plasma in order to estimate the effect of carbon and oxygen impurities on plasma lifetime.
NASA Astrophysics Data System (ADS)
Frahm, Holger; Yu, Nai-Chang; Fowler, Michael
1990-06-01
The construction of an integrable generalization of the antiferromagnetic XXZ Heisenberg model with arbitrary spin and easy plane anisotropy is reconsidered. The fusion procedure which has been used to generate models with spin S > {1}/{2} is shown to give hermitian operators corresponding to the physical conserved quantities only in certain (allowed) regions of the anisotropy γ. The forbidden regions coincide with those where Kirillov and Reshetikhin find restrictions on string locations in a formal Bethe ansatz analysis. In each of the allowed regions for the anisotropy there exists a unique ground-state configuration that does not change with γ. The critical behaviour of the S = 1 and S = 2 spin chains is investigated by numerical solution of their associated Bethe ansatz equations. Our results agree with the known decomposition of the spin model into the semidirect product of a free bosonic (gaussian) and a parafermionic ( ZN) theory with N = 2 S in the region of small anisotropy ( γ < π/2 S). They suggest that a similar decomposition holds in certain regions with γ > π/2 S. Here, however, N is given by the integer part of π/γ.
NASA Astrophysics Data System (ADS)
Čisárová, Jana; Strečka, Jozef
2013-01-01
The spin-(1)/(2) Ising-Heisenberg model on two geometrically related triangles-in-triangles lattices is exactly solved through the generalized star-triangle transformation, which establishes a rigorous mapping correspondence with the effective spin-(1)/(2) Ising model on a triangular lattice. Basic thermodynamic quantities were exactly calculated within this rigorous mapping method along with the ground-state and finite-temperature phase diagrams. Apart from the classical ferromagnetic phase, both investigated models exhibit several unconventional quantum ordered and disordered ground states. A mutual competition between two ferromagnetic interactions of basically different character generically leads to the emergence of a quantum ferromagnetic phase, in which a symmetric quantum superposition of three up-up-down states of the Heisenberg trimers accompanies a perfect alignment of all Ising spins. In the highly frustrated regime, we have either found the disordered quantum paramagnetic phase with a substantial residual entropy or a similar but spontaneously ordered phase with a nontrivial criticality at finite temperatures. The latter quantum ground state exhibits a striking coexistence of imperfect spontaneous order with partial disorder, which is evidenced by a quantum reduction of the spontaneous magnetization of Heisenberg spins that indirectly causes a small reduction of the spontaneous magnetization of otherwise classical Ising spins.
Strong anisotropy within a Heisenberg model in the Jeff=1/2 insulating state of Sr2Ir0.8Ru0.2O4
NASA Astrophysics Data System (ADS)
Calder, S.; Kim, J. W.; Taylor, A. E.; Upton, M. H.; Casa, D.; Cao, Guixin; Mandrus, D.; Lumsden, M. D.; Christianson, A. D.
2016-12-01
The dispersive magnetic excitations in Sr2IrO4 have previously been well described within an isospin-1/2 Heisenberg model on a square lattice that revealed parallels with La2CuO4 . Here we investigate the inelastic spectra of Sr2Ir0.8Ru0.2O4 with resonant inelastic x-ray scattering (RIXS) at the Ir L3 edge. The results are well described using linear spin-wave theory within a similar Heisenberg model applicable to Sr2IrO4 ; however, the disorder induced by the substitution of 20 %Ir4 + ions for Ru4 + removes longer range exchange interactions. A large spin gap (40 meV) is measured indicating strong anisotropy from spin-orbit coupling that is manifest due to the altered magnetic structure in Sr2Ir0.8Ru0.2O4 with c -axis aligned moments compared to the basal plane moments in the parent. Collectively the results indicate the robustness of a Heisenberg model description even when the magnetic structure is altered and the Jeff=1 /2 moments are diluted.
Strong anisotropy within a Heisenberg model in the Jeff=12 insulating state of Sr2Ir0.8Ru0.2O4
Calder, Stuart A.; Kim, J. W.; Taylor, Alice E.; ...
2016-12-28
The dispersive magnetic excitations in Sr2IrO4 have previously been well described within an isospin-1/2 Heisenberg model on a square lattice that revealed parallels with La2CuO4. In this paper, we investigate the inelastic spectra of Sr2Ir0.8Ru0.2O4 with resonant inelastic x-ray scattering (RIXS) at the Ir L3 edge. The results are well described using linear spin-wave theory within a similar Heisenberg model applicable to Sr2IrO4; however, the disorder induced by the substitution of 20% Ir4+ ions for Ru4+ removes longer range exchange interactions. A large spin gap (40 meV) is measured indicating strong anisotropy from spin-orbit coupling that is manifest due tomore » the altered magnetic structure in Sr2Ir0.8Ru0.2O4 with c-axis aligned moments compared to the basal plane moments in the parent. Finally, collectively the results indicate the robustness of a Heisenberg model description even when the magnetic structure is altered and the Jeff = 1/2 moments are diluted.« less
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.
NASA Astrophysics Data System (ADS)
Butera, P.; Comi, M.; Marchesini, G.
1990-06-01
We present simple tables of integers from which it is possible to reconstruct the high-temperature series coefficients through β14 for the susceptibility, for the second correlation moment, and for the second field derivative of the susceptibility of the O(N) classical Heisenberg model on a simple (hyper)cubic lattice in dimension d=2, 3, and 4 and for any N. To construct the tables we have used the recent extension of the high-temperature series by M. Luscher and P. Weisz and some analytic properties in N that we have derived from the Schwinger-Dyson equations of the O(N) model. We also present a numerical study of these series in the d=2 case. The main results are: (a) the extended series give further support to the Cardy-Hamber-Nienhuis exact formulas for the critical exponents when -2
NASA Astrophysics Data System (ADS)
Brymora, Katarzyna; Calvayrac, Florent
2017-07-01
We performed ab initio computations of the magnetic properties of simple iron oxide clusters and slabs. We considered an iron oxide cluster functionalized by a molecule or glued to a gold cluster of the same size. We also considered a magnetite slab coated by cobalt oxide or a mixture of iron oxide and cobalt oxide. The changes in magnetic behavior were explored using constrained magnetic calculations. A possible value for the surface anisotropy was estimated from the fit of a classical Heisenberg model on ab initio results. The value was found to be compatible with estimations obtained by other means, or inferred from experimental results. The addition of a ligand, coating, or of a metallic nanoparticle to the systems degraded the quality of the description by the Heisenberg Hamiltonian. Proposing a change in the anisotropies allowing for the proportion of each transition atom we could get a much better description of the magnetism of series of hybrid cobalt and iron oxide systems.
EuCo_{2}P_{2}: A Model Molecular-Field Helical Heisenberg Antiferromagnet
Sangeetha, N. S.; Cuervo-Reyes, Eduardo; Pandey, Abhishek; Johnston, D. C.
2016-07-19
The metallic compound EuCo_{2}P_{2} with the body-centered tetragonal ThCr_{2}Si_{2} structure containing Eu spins-7/2 was previously shown from single-crystal neutron diffraction measurements to exhibit a helical antiferromagnetic (AFM) structure below T_{N}=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 EuCo_{2}P_{2} is a model molecular-field helical Heisenberg antiferromagnet from comparisons of the anisotropic magnetic susceptibility χ, high-field magnetization, and magnetic heat capacity of EuCo_{2}P_{2} 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 ~T^{3} 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 EuCo_{2}P_{2} and the related compound BaCo_{2}P_{2} are found from the heat capacity data to be large, 10 and 16 states/eV per formula unit for EuCo_{2}P_{2} and BaCo_{2}P_{2}, respectively. These values are enhanced by a factor of ~2.5 above those found from DFT electronic structure calculations for the two compounds. Additionally, the calculations also find ferromagnetic Eu–Eu exchange interactions within the ab plane and AFM interactions between Eu spins in nearest- and next-nearest planes, in agreement with the MFT analysis of χ_{ab}(T≤TN).
EuCo_{2}P_{2}: A Model Molecular-Field Helical Heisenberg Antiferromagnet
Sangeetha, N. S.; Cuervo-Reyes, Eduardo; Pandey, Abhishek; Johnston, D. C.
2016-07-19
The metallic compound EuCo_{2}P_{2} with the body-centered tetragonal ThCr_{2}Si_{2} structure containing Eu spins-7/2 was previously shown from single-crystal neutron diffraction measurements to exhibit a helical antiferromagnetic (AFM) structure below T_{N}=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 EuCo_{2}P_{2} is a model molecular-field helical Heisenberg antiferromagnet from comparisons of the anisotropic magnetic susceptibility χ, high-field magnetization, and magnetic heat capacity of EuCo_{2}P_{2} 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 ~T^{3} 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 EuCo_{2}P_{2} and the related compound BaCo_{2}P_{2} are found from the heat capacity data to be large, 10 and 16 states/eV per formula unit for EuCo_{2}P_{2} and BaCo_{2}P_{2}, respectively. These values are enhanced by a factor of ~2.5 above those found from DFT electronic structure calculations for the two compounds. Additionally, the calculations also find ferromagnetic Eu–Eu exchange interactions within the ab plane and AFM interactions between Eu spins in nearest- and next-nearest planes, in agreement with the MFT analysis of χ_{ab}(T≤TN).
Magnetic moments of chromium-doped gold clusters: the Anderson impurity model in finite systems.
Hirsch, K; Zamudio-Bayer, V; Langenberg, A; Niemeyer, M; Langbehn, B; Möller, T; Terasaki, A; Issendorff, B V; Lau, J T
2015-02-27
The magnetic moment of a single impurity atom in a finite free electron gas is studied in a combined x-ray magnetic circular dichroism spectroscopy, charge transfer multiplet calculation, and density functional theory study of size-selected free chromium-doped gold clusters. The observed size dependence of the local magnetic moment can be understood as a transition from a local moment to a mixed valence regime. This shows that the Anderson impurity model essentially describes finite systems even though the discrete density of states introduces a significant deviation from a bulk metal, and the free electron gas is only formed by less than 10 electrons. Electronic shell closure in the gold host minimizes the interaction of localized impurity states with the confined free electron gas and preserves the magnetic moment of 5 μ_{B} fully in CrAu_{2}^{+} and almost fully in CrAu_{6}^{+}. Even for open-shell species, large local moments are observed that scale with the energy gap of the gold cluster. This indicates that an energy gap in the free electron gas stabilizes the local magnetic moment of the impurity atom.
NASA Astrophysics Data System (ADS)
Saadatmand, S. N.; McCulloch, I. P.
2017-08-01
We present new numerical tools to analyze symmetry-broken phases in the context of SU (2 ) -symmetric translation-invariant matrix product states (MPS) and density-matrix renormalization-group (DMRG) methods for infinite cylinders, and determine the phase diagram of the geometrically frustrated triangular Heisenberg model with nearest- and next-nearest-neighbor (NN and NNN) interactions. The appearance of Nambu-Goldstone modes in the excitation spectrum is characterized by "tower of states" levels in the momentum-resolved entanglement spectrum. Symmetry-breaking phase transitions are detected by a combination of the correlation lengths and second and fourth cumulants of the magnetic order parameters (which we call the Binder ratio), even though symmetry implies that the order parameter itself is strictly zero. Using this approach, we have identified a 120∘ order, a columnar order, and an algebraic spin liquid (specific to width-6 systems), alongside the previously studied topological spin liquid phase. For the latter, we also demonstrate robustness against chiral perturbations.
NASA Astrophysics Data System (ADS)
Faizi, E.; Eftekhari, H.
2014-10-01
We consider quantum correlations for a S = 1/2 Ising-Heisenberg model of a symmetrical diamond chain. First, we compare concurrence, quantum discord and 1-norm geometric quantum discord of an ideal diamond chain (Jm = 0) in the absence of magnetic field. The results show no simple ordering relations between these quantum correlations, so that quantum discord may be smaller or larger than the 1-norm geometric quantum discord, this observation contradicts the previous result provided by F. M. Paula [1]. Symmetrical behaviour of quantum correlation versus ferromagnetic and anti-ferromagnetic coupling constant J is considerable. The effect of external magnetic field B and temperature dependence is also considered. Furthermore, we study quantum discord and geometric measure of quantum discord with the effect of next nearest neighbour interaction between nodal Ising sites for a generalized diamond chain (Jm ≠ 0), and we observe coexistence of phases with different values of magnetic field for quantum correlations. Moreover, entanglement sudden death occurs while quantum discord, 1-norm geometric quantum discord and geometric measure of quantum discord are immune from sudden death.
Thermodynamic properties of the 2D frustrated Heisenberg model for the entire J1 -J2 circle
NASA Astrophysics Data System (ADS)
Mikheyenkov, A. V.; Shvartsberg, A. V.; Valiulin, V. E.; Barabanov, A. F.
2016-12-01
Using the spherically symmetric self-consistent Green's function method, we consider thermodynamic properties of the S = 1 / 2J1 -J2 Heisenberg model on the 2D square lattice. We calculate the temperature dependence of the spin-spin correlation functions cr = < S0z Srz >, the gaps in the spin excitation spectrum, the energy E and the heat capacity CV for the whole J1-J2-circle, i.e. for arbitrary φ, J1 = cos (φ), J2 = sin (φ). Due to low dimension there is no long-range order at T ≠ 0, but the short-range holds the memory of the parent zero-temperature ordered phase (antiferromagnetic, stripe or ferromagnetic). E(φ) and CV(φ) demonstrate extrema "above" the long-range ordered phases and in the regions of rapid short-range rearranging. Tracts of cr(φ) lines have several nodes leading to nonmonotonic cr(T) dependence. For any fixed φ the heat capacity CV(T) always has maximum, tending to zero at T → 0, in the narrow vicinity of φ = 155 ° it exhibits an additional frustration-induced low-temperature maximum. We have also found the nonmonotonic behaviour of the spin gaps at φ = 270 ° ± 0 and exponentially small antiferromagnetic gap up to (T ≲ 0.5) for φ ≳ 270 °.
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.
NASA Astrophysics Data System (ADS)
Morita, Katsuhiro; Shibata, Naokazu
2016-10-01
We study the ground state of the S =1/2 Heisenberg model on the checkerboard lattice in a magnetic field by the density matrix renormalization group method with the sine-square deformation. We obtain magnetization plateaus at M /Msat=0 ,1/4 ,3/8 ,1/2 , and 3/4 , where Msat is the saturated magnetization. The obtained 3/4 plateau state is consistent with the exact result, and the 1/2 plateau is found to have a four-spin resonating loop structure similar to the six-spin loop structure of the 1/3 plateau of the kagome lattice. Different four-spin loop structures are obtained in the 1/4 and 3/8 plateaus but no corresponding states exist in the kagome lattice. The 3/8 plateau has a unique magnetic structure of three types of four-spin local quantum states in a 4 √{2 }×2 √{2 } magnetic unit cell with a 16-fold degeneracy.
NASA Astrophysics Data System (ADS)
Zad, Hamid Arian; Movahhedian, Hossein
2016-08-01
Heat capacity of a mixed-three-spin (1/2,1,1/2) antiferromagnetic XXX Heisenberg chain is precisely investigated by use of the partition function of the system for which, spins (1,1/2) have coupling constant J1 and spins (1/2,1/2) have coupling constant J2. We verify tripartite entanglement for the model by means of the convex roof extended negativity (CREN) and concurrence as functions of temperature T, homogeneous magnetic field B and the coupling constants J1 and J2. As shown in our previous work, [H. A. Zad, Chin. Phys. B 25 (2016) 030303.] the temperature, the magnetic field and the coupling constants dependences of the heat capacity for such spin system have different behaviors for the entangled and separable states, hence, we did some useful comparisons between this quantity and negativities of its organized bipartite (sub)systems at entangled and separable states. Here, we compare the heat capacity of the mixed-three-spin (1/2,1,1/2) system with the CREN and the tripartite concurrence (as measures of the tripartite entanglement) at low temperature. Ground state phase transitions, and also, transition from ground state to some excited states are explained in detail for this system at zero temperature. Finally, we investigate the heat capacity behavior around those critical points in which these quantum phase transitions occur.
A Cartesian quasi-classical model to nonequilibrium quantum transport: the Anderson impurity model.
Li, Bin; Levy, Tal J; Swenson, David W H; Rabani, Eran; Miller, William H
2013-03-14
We apply the recently proposed quasi-classical approach for a second quantized many-electron Hamiltonian in Cartesian coordinates [B. Li and W. H. Miller, J. Chem. Phys. 137, 154107 (2012)] to correlated nonequilibrium quantum transport. The approach provides accurate results for the resonant level model for a wide range of temperatures, bias, and gate voltages, correcting the flaws of our recently proposed mapping using action-angle variables. When electron-electron interactions are included, a Gaussian function scheme is required to map the two-electron integrals, leading to quantitative results for the Anderson impurity model. In particular, we show that the current mapping is capable of capturing quantitatively the Coulomb blockade effect and the temperature dependence of the current below and above the blockade.
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.
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)
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)
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.
Compass impurity model of Tb substitution in Sr2IrO4
NASA Astrophysics Data System (ADS)
Zhang, Long; Wang, Fa; Lee, Dung-Hai
2016-10-01
We show that upon Tb substitution the interaction between the magnetic moments on the impurity Tb4 + ion and its surrounding Ir4 + ions is described by a "compass" model, i.e., an Ising-like interaction favoring the magnetic moments across each bond to align along the bond direction. Such an interaction nucleates quenched magnetic vortices near the impurities and drives a reentrant transition out of the antiferromagnetic ordered phase at low temperatures, hence quickly suppressing the Néel temperature, consistent with the experiment [J. C. Wang et al., Phys. Rev. B 92, 214411 (2015), 10.1103/PhysRevB.92.214411]. As a by-product, we propose that the compass model can be realized in ordered double perovskites composed of spin-orbital-coupled d5 ions and half-closed-shell f7 ions.
NASA Astrophysics Data System (ADS)
Horvat, Alen; Žitko, Rok; Mravlje, Jernej
2017-08-01
We investigate the effects of spin-orbit coupling (SOC) in a three-orbital impurity model with a Kanamori interaction using the numerical renormalization group method. We focus on the impurity occupancy Nd=2 relevant to the dynamical mean-field theory studies of Hund's metals. Depending on the strength of SOC λ , we identify three regimes: the usual Hund's impurity for |λ |< λc , the van Vleck nonmagnetic impurity for λ >λc , and a J =2 impurity for λ <-λc . They all correspond to a Fermi liquid but with very different quasiparticle phase shifts and different physical properties. The crossover between these regimes is controlled by an emergent scale, the orbital Kondo temperature λc=TKorb , that drops with increasing interaction strength. This implies that oxides with strong electronic correlations are more prone to the effects of spin-orbit coupling.
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.
Non-Fermi-liquid behavior in quantum impurity models with superconducting channels
NASA Astrophysics Data System (ADS)
Žitko, Rok; Fabrizio, Michele
2017-02-01
We study how the non-Fermi-liquid nature of the overscreened multichannel Kondo impurity model affects the response to a BCS pairing term that, in the absence of the impurity, opens a gap Δ . We find that the low-energy spectrum in the limit Δ →0 actually does not correspond to the spectrum strictly at Δ =0 . In particular, in the two-channel Kondo model, the Δ →0 ground state is an orbitally degenerate spin singlet, while it is an orbital singlet with a residual spin degeneracy at Δ =0 . In addition, there are fractionalized spin-1/2 subgap excitations whose energy in units of Δ tends toward a finite and universal value when Δ →0 , as if the universality of the anomalous power-law exponents that characterize the overscreened Kondo effect turned into universal energy ratios when the scale invariance is broken by Δ ≠0 . This intriguing phenomenon can be explained by the renormalization flow toward the overscreened fixed point and the gap cutting off the orthogonality catastrophe singularities. We also find other non-Fermi-liquid features at finite Δ : the local density of states lacks coherence peaks, the states in the continuum above the gap are unconventional, and the boundary entropy is a nonmonotonic function of temperature. The persistent subgap excitations are characteristic of the non-Fermi-liquid fixed point of the model, and thus depend on the impurity spin and the number of screening channels.
Néel to spin-Peierls transition in a quasi-one-dimensional Heisenberg model coupled to bond phonons
NASA Astrophysics Data System (ADS)
Pillay, Jason Cornelius; Wierschem, Keola; Sengupta, Pinaki
2013-08-01
The zero and finite temperature spin-Peierls transitions in a quasi-one-dimensional spin-(1)/(2) Heisenberg model coupled to adiabatic bond phonons is investigated using the stochastic series expansion (SSE) quantum Monte Carlo (QMC) method. The quantum phase transition from a gapless Néel state to a spin-gapped Peierls state is studied in the parameter space spanned by spatial anisotropy, interchain coupling strength, and spin-lattice coupling strength. It is found that for any finite interchain coupling, the transition to a dimerized Peierls ground state only occurs when the spin-lattice coupling exceeds a finite, nonzero critical value. This is in contrast to the pure 1D model (zero interchain coupling), where adiabatic/classical phonons lead to a dimerized ground state for any nonzero spin-phonon interaction. The phase diagram in the parameter space shows that for a strong interchain coupling, the relation between the interchain coupling and the critical value of the spin-phonon interaction is linear whereas for weak interchain coupling, this behavior is found to have a natural logarithmlike relation. No region was found to have a long range magnetic order and dimerization occurring simultaneously. Instead, the Néel state order vanishes simultaneously with the setting in of the spin-Peierls state. For the thermal phase transition, a continuous heat capacity with a peak at the critical temperature Tc shows a second order phase transition. The variation of the equilibrium bond length distortion δeq with temperature showed a power law relation which decayed to zero as the temperature was increased to Tc, indicating a continuous transition from the dimerized phase to a paramagnetic phase with uniform bond length and zero antiferromagnetic susceptibility.
Konstantinidis, N P
2015-02-25
The antiferromagnetic Heisenberg model on the icosahedron presents unconventional properties at the classical and quantum level, which originate in the frustrated nature of the interactions between the spins. Here we examine the importance of the connectivity of the icosahedron for the appearance of a magnetization discontinuity as a function of an external field which separates two families of lowest energy configurations. We also investigate the transition from the classical to the quantum limit. The influence of connectivity on the magnetic properties is revealed by considering the cluster as being made up of a closed strip of a triangular lattice with two additional spins attached. The classical magnetization discontinuity is shown to evolve continuously from the discontinuity effected by these two spins when they are uncoupled to the cluster. In the second part the transition from the classical to the quantum limit is examined by focusing on the low energy spectrum, taking fully into account the spatial and the spin symmetry of the model in the characterization of the states. A symmetry analysis of the highly degenerate lowest energy classical manifold identifies as its direct fingerprint the low energy quantum states for spin magnitude as low as s = 1, with the latter following a tower of states behavior which relates to the icosahedron having a structure reminiscent of a depleted triangular lattice. The classical character of the AHM for small s is also detected on the ground state energy and correlation functions. On the other hand the classical magnetization discontinuity in a field eventually disappears for small s, after a weak reentrant behavior.
Realistic quantum critical point in one-dimensional two-impurity models
NASA Astrophysics Data System (ADS)
Lechtenberg, Benedikt; Eickhoff, Fabian; Anders, Frithjof B.
2017-07-01
We show that the two-impurity Anderson model exhibits an additional quantum critical point at infinitely many specific distances between both impurities for an inversion symmetric one-dimensional dispersion. Unlike the quantum critical point previously established, it is robust against particle-hole or parity symmetry breaking. The quantum critical point separates a spin doublet from a spin singlet ground state and is, therefore, protected. A finite single-particle tunneling t or an applied uniform gate voltage will drive the system across the quantum critical point. The discriminative magnetic properties of the different phases cause a jump in the spectral functions at low temperature, which might be useful for future spintronics devices. A local parity conservation will prevent the spin-spin correlation function from decaying to its equilibrium value after spin manipulations.
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.
NASA Astrophysics Data System (ADS)
Liu, Chia-Chuan; Goswami, Pallab; Si, Qimiao
2017-09-01
Due to the interaction between the topological defects of an order parameter and underlying fermions, the defects can possess induced fermion numbers, leading to several exotic phenomena of fundamental importance to both condensed matter and high-energy physics. One of the intriguing outcomes of induced fermion numbers is the presence of fluctuating competing orders inside the core of a topological defect. In this regard, the interaction between fermions and skyrmion excitations of an antiferromagnetic phase can have important consequences for understanding the global phase diagrams of many condensed matter systems where antiferromagnetism and several singlet orders compete. We critically investigate the relation between fluctuating competing orders and skyrmion excitations of the antiferromagnetic insulating phase of a half-filled Kondo-Heisenberg model on a honeycomb lattice. By combining analytical and numerical methods, we obtain the exact eigenstates of underlying Dirac fermions in the presence of a single skyrmion configuration, which are used for computing the induced chiral charge. Additionally, by employing this nonperturbative eigenbasis, we calculate the susceptibilities of different translational symmetry breaking charges, bond and current density wave orders, and translational symmetry preserving Kondo singlet formations. Based on the computed susceptibilities, we establish spin Peierls and Kondo singlets as dominant competing orders of antiferromagnetism. We show favorable agreement between our findings and field theoretic predictions based on the perturbative gradient expansion scheme, which crucially relies on the adiabatic principle and plane-wave eigenstates for Dirac fermions. The methodology developed here can be applied to many other correlated systems supporting competition between spin-triplet and spin-singlet orders in both lower and higher spatial dimensions.
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.
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.
Machine learning for many-body physics: The case of the Anderson impurity model
Arsenault, Louis-François; Lopez-Bezanilla, Alejandro; von Lilienfeld, O. Anatole; Millis, Andrew J.
2014-10-31
We applied machine learning methods in order to find the Green's function of the Anderson impurity model, a basic model system of quantum many-body condensed-matter physics. Furthermore, 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. Our results indicate that a machine learning approach to dynamical mean-field theory may be feasible.
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.
NASA Astrophysics Data System (ADS)
Hamada, Kosuke; Kaneko, Tatsuya; Miyakoshi, Shohei; Ohta, Yukinori
2017-07-01
We comparatively study the excitonic insulator state in the extended Falicov-Kimball model (EFKM, a spinless two-band model) on the two-dimensional square lattice using the variational cluster approximation (VCA) and the cluster dynamical impurity approximation (CDIA). In the latter, the particle-bath sites are included in the reference cluster to take into account the particle-number fluctuations in the correlation sites. We thus calculate the particle-number distribution, order parameter, ground-state phase diagram, anomalous Green's function, and pair coherence length, thereby demonstrating the usefulness of the CDIA in the discussion of the excitonic condensation in the EFKM.
Tóth, Tamás A; Läuchli, Andreas M; Mila, Frédéric; Penc, Karlo
2010-12-31
Combining a semiclassical analysis with exact diagonalizations, we show that the ground state of the SU(3) Heisenberg model on the square lattice develops three-sublattice long-range order. This surprising pattern for a bipartite lattice with only nearest-neighbor interactions is shown to be the consequence of a subtle quantum order-by-disorder mechanism. By contrast, thermal fluctuations favor two-sublattice configurations via entropic selection. These results are shown to extend to the cubic lattice, and experimental implications for the Mott-insulating states of three-flavor fermionic atoms in optical lattices are discussed.
NASA Astrophysics Data System (ADS)
Zanino, R.
1992-02-01
We have developed a 1 + 1 D time dependent code for the description of ion-impurity transport in a rotating tokamak plasma, using a pseudo-spectral discretization in the poloidal angle θ and a staggered finite difference mesh in the minor radius r. The plasma is assumed to have a constant uniform temperature T, to be in the high collisionality (Pfirsch-Schlüter) regime, and to contain electrons " e," fuel ions " i," and a single impurity species " Z" of charge eZ, where e is the proton charge. We are particularly interested in the case when: (1) flow velocities in the toroidal (symmetry) direction φ are in the range typical of neutral beam injection experiments, i.e., vthZ < Vφi, Z ⪅ vthi, ( vthj √2 T/ mj is the thermal speed, mj is the mass); (2) the relative concentration of impurities in the plasma, {ṅz}/{ṅi}, is significant and comparable to that observed in present tokamaks, i.e., √m e/m i ≪ ṅzZ 2/ ṅi ≈ 1 in order of magnitude. The model fluid equations are obtained via a moment approach, and an expansion in powers of the small ordering parameter δpi = ( mivthi/ eBθ) ((1/ ṅ | ∂ ṅi/∂r| ≪ 1 ( B is the magnetic field) is then employed. The equations at each order in δpi up to the second are solved, and the characteristic features of the results presented: to lowest order, outboard impurity peaking on each magnetic surface appears due to centrifugal forces; to first order, radial gradients driven ion-impurity friction gives rise to up-down asymmetries in the poloidal profiles; to second order, the radial profiles of density and rotation frequency evolve to steady state under the action of particle and angular momentum sources. The evolution of the poloidal profiles is decoupled from the evolution of the radial ones, thanks to the fact that the corresponding time scales belong to different orders in δpi: an algorithm is proposed to treat the 2D problem, alternating the solution of 1D problems.
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.
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.
Atomistic modeling of an impurity element and a metal-impurity system: pure P and Fe-P system.
Ko, Won-Seok; Kim, Nack J; Lee, Byeong-Joo
2012-06-06
An interatomic potential for pure phosphorus, an element that has van der Waals, covalent and metallic bonding character, simultaneously, has been developed for the purpose of application to metal-phosphorus systems. As a simplification, the van der Waals interaction, which is less important in metal-phosphorus systems, was omitted in the parameterization process and potential formulation. On the basis of the second-nearest-neighbor modified embedded-atom method (2NN MEAM) interatomic potential formalism applicable to both covalent and metallic materials, a potential that can describe various fundamental physical properties of a wide range of allotropic or transformed crystalline structures of pure phosphorus could be developed. The potential was then extended to the Fe-P binary system describing various physical properties of intermetallic compounds, bcc and liquid alloys, and also the segregation tendency of phosphorus on grain boundaries of bcc iron, in good agreement with experimental information. The suitability of the present potential and the parameterization process for atomic scale investigations about the effects of various non-metallic impurity elements on metal properties is demonstrated.
Sharma, P; Mišković, Z L
2015-10-07
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.
NASA Astrophysics Data System (ADS)
Lazarou, C.; Koukounis, D.; Chiper, A. S.; Costin, C.; Topala, I.; Georghiou, G. E.
2015-06-01
In this paper a validated 2D axisymmetric plasma fluid model was used to study the influence of the level of nitrogen impurities on the processes that occur in a helium parallel plate dielectric barrier discharge. The level of nitrogen impurities was varied in the range 0.1-500 ppm. It was observed that the nitrogen impurities significantly affect the dominant ion species at breakdown and the discharge characteristics. Specifically, three different dominant ions were found, which are strongly dependent on the level of nitrogen impurities. These are: \\text{He}2+ (0.1-35 ppm), \\text{N}2+ (35-150 ppm) and \\text{N}4+ (150-500 ppm). In addition, the results show that the discharge characteristics are dependent on the dominant ion species at breakdown.
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.
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.
NASA Astrophysics Data System (ADS)
Laubach, Manuel; Reuther, Johannes; Thomale, Ronny; Rachel, Stephan
2017-09-01
Na2IrO3 was one of the first materials proposed to feature the Kane-Mele-type topological insulator phase. Contemporaneously it was claimed that the very same material is in a Mott insulating phase which is described by the Kitaev-Heisenberg (KH) model. First experiments indeed revealed Mott insulating behavior in conjunction with antiferromagnetic long-range order. Further refined experiments established antiferromagnetic order of zigzag type which is not captured by the KH model. Since then several extensions and modifications of the KH model were proposed in order to describe the experimental findings. Here we suggest that adding charge fluctuations to the KH model represents an alternative explanation of zigzag antiferromagnetism. Moreover, a phenomenological three-band Hubbard model unifies all the pieces of the puzzle: topological insulator physics for weak and KH model for strong electron-electron interactions as well as a zigzag antiferromagnet at intermediate interaction strength.
Kondo physics of the Anderson impurity model by distributional exact diagonalization
NASA Astrophysics Data System (ADS)
Motahari, S.; Requist, R.; Jacob, D.
2016-12-01
The distributional exact diagonalization (DED) scheme is applied to the description of Kondo physics in the Anderson impurity model. DED maps Anderson's problem of an interacting impurity level coupled to an infinite bath onto an ensemble of finite Anderson models, each of which can be solved by exact diagonalization. An approximation to the self-energy of the original infinite model is then obtained from the ensemble-averaged self-energy. Using Friedel's sum rule, we show that the particle number constraint, a central ingredient of the DED scheme, ultimately imposes Fermi liquid behavior on the ensemble-averaged self-energy, and thus is essential for the description of Kondo physics within DED. Using the numerical renormalization group (NRG) method as a benchmark, we show that DED yields excellent spectra, both inside and outside the Kondo regime for a moderate number of bath sites. Only for very strong correlations (U /Γ ≫10 ) does the number of bath sites needed to achieve good quantitative agreement become too large to be computationally feasible.
NASA Astrophysics Data System (ADS)
Zheng, Xiao; Zhang, Guo-Feng
2017-01-01
The effects of mixedness and entanglement on the lower bound and tightness of the entropic uncertainty in the Heisenberg model with Dzyaloshinski-Moriya (DM) interaction have been investigated. It is found that the mixedness can reflect the essence of the entropic uncertainty better than the entanglement. Meanwhile, the uncertainty of measurement results will be reduced by the entanglement and improved by the mixedness. The entanglement can destroy the tightness of the uncertainty, while the tightness will be improved with the increase in the mixedness. In addition, the tightness of the uncertainty in Heisenberg model can be expressed as a function of the magnetic properties, the strength of the DM interaction as well as the mixedness of the state and the functional form has no relationship with temperature. What's more, the entropic uncertain inequality becomes uncertain equality when the mixedness of the system reaches the minimum value. For a given mixedness, the tightness will be reduced with the increase in the strength of DM interaction at the antiferromagnetic case while the situation is just the opposite for the ferromagnetic case.
NASA Astrophysics Data System (ADS)
Bréant, Camille; Martinerie, Patricia; Orsi, Anaïs; Arnaud, Laurent; Landais, Amaëlle
2017-07-01
The transformation of snow into ice is a complex phenomenon that is difficult to model. Depending on surface temperature and accumulation rate, it may take several decades to millennia for air to be entrapped in ice. The air is thus always younger than the surrounding ice. The resulting gas-ice age difference is essential to documenting the phasing between CO2 and temperature changes, especially during deglaciations. The air trapping depth can be inferred in the past using a firn densification model, or using δ15N of air measured in ice cores. All firn densification models applied to deglaciations show a large disagreement with δ15N measurements at several sites in East Antarctica, predicting larger firn thickness during the Last Glacial Maximum, whereas δ15N suggests a reduced firn thickness compared to the Holocene. Here we present modifications of the LGGE firn densification model, which significantly reduce the model-data mismatch for the gas trapping depth evolution over the last deglaciation at the coldest sites in East Antarctica (Vostok, Dome C), while preserving the good agreement between measured and modelled modern firn density profiles. In particular, we introduce a dependency of the creep factor on temperature and impurities in the firn densification rate calculation. The temperature influence intends to reflect the dominance of different mechanisms for firn compaction at different temperatures. We show that both the new temperature parameterization and the influence of impurities contribute to the increased agreement between modelled and measured δ15N evolution during the last deglaciation at sites with low temperature and low accumulation rate, such as Dome C or Vostok. We find that a very low sensitivity of the densification rate to temperature has to be used in the coldest conditions. The inclusion of impurity effects improves the agreement between modelled and measured δ15N at cold East Antarctic sites during the last deglaciation, but
Pattern selection in a boundary-layer model of dendritic growth in the presence of impurities
NASA Technical Reports Server (NTRS)
Karma, A.; Kotliar, B. G.
1985-01-01
Presently analyzed, in the context of a boundary-layer model, is the problem of pattern selection in dendritic growth in a situation where impurities are present in the undercooled liquid. It is found that the tip-velocity selection criterion that has been proposed recently for the geometrical model and the boundary-layer model of a pure substance can be extended, in a nontrivial way, to this more complex situation where two coupled diffusion fields (temperature and solute) determine the interface dynamics. This model predicts a sharp enhancement of tip velocity in good qualitative agreement with experiment. This agreement is consistent with the conjecture that a solvability condition can be used to determine the operating point of the dendrite in the full nonlocal problem.
Free Energy of the Three-Dimensional Spin-12 Quantum Heisenberg Model to O[T6
NASA Astrophysics Data System (ADS)
Chang, Chih-chun
2001-11-01
By applying the Friedberg-Lee-Ren's theorem (Ann. Phys. (N.Y.) 228, 52 (1993)) to the spin-12 three-dimensional isotropic quantum Heisenberg system, we obtain the low-temperature expansion of the free energy through a field theoretical calculation done in the equivalent lattice boson system. We reproduced Dyson's result and also extended it from T5 to T6. Nevertheless, because of the peculiar property of the spin operator being neither bosonic nor fermionic, the extension is not easy to obtain by other method.
Kouri, Donald J; Markovich, Thomas; Maxwell, Nicholas; Bodmann, Bernhard G
2009-07-02
We discuss a periodic variant of the Heisenberg-Weyl algebra, associated with the group of translations and modulations on the circle. Our study of uncertainty minimizers leads to a periodic version of canonical coherent states. Unlike the canonical, Cartesian case, there are states for which the uncertainty product associated with the generators of the algebra vanishes. Next, we explore the supersymmetric (SUSY) quantum mechanical setting for the uncertainty-minimizing states and interpret them as leading to a family of "hindered rotors". Finally, we present a standard quantum mechanical treatment of one of these hindered rotor systems, including numerically generated eigenstates and energies.
Modeling and data analysis of a palladium membrane reactor for tritiated impurities cleanup
Birdsell, S.A.; Willms, R.S.
1995-07-01
A Palladium Membrane Reactor (PMR) is under consideration for the tritium plant for the International Thermonuclear Experimental Reactor (ITER). The ITER reactor exhaust will contain tritiated impurities such as water and methane. Tritium will need to be recovered from these impurities for environmental and economic reasons. For this purpose a promising device, PMR, has been proposed. The PMR is a combined permeator and catalytic reactor. Shift catalysts are used to foster reactions such as water-gas shift, H{sub 2}O + CO {yields} H{sub 2} + CO{sub 2}, and methane steam reforming, CH{sub 4} + H{sub 2}O {yields} 3H{sub 2} + CO. Due to thermodynamic limitations these reactions only proceed to partial completion. Thus, a Pd/Ag membrane, which is exclusively permeable to hydrogen isotopes, is incorporated into the reactor. By maintaining a vacuum on the permeate, product hydrogen isotopes are removed, enabling the reactions to proceed to completion. A model has been developed to study the complex interactions in a PMR so that the optimal design can be determined. The model accounts for the coupled effects of transport-limited permeation of hydrogen isotopes and chemical reactions. The permeation model is an extension of previous models that include the effects of temperature, wall thickness, reaction-side pressure, and permeate-side pressure. Reaction rates for methane steam reforming and the water-gas shift reaction are incorporated into the model along with the respective reverse reactions. The model is compared to PMR data and used to investigate the concentration and pressure profiles in the reactor. Due to the interactions of permeation and reaction complex profiles can be produced in a PMR. For example, the water concentration often increases after the inlet to the PMR to a maximum value, and then decreases to the low values expected with a PMR. Detailed information like this is required for the design and optimization of PMRs for the ITER tritium plant.
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.
NASA Astrophysics Data System (ADS)
Kurita, Moyuru; Yamaji, Youhei; Morita, Satoshi; Imada, Masatoshi
2015-07-01
We propose an accurate variational Monte Carlo method applicable in the presence of the strong spin-orbit interactions. The algorithm is applicable even in a wider class of Hamiltonians that do not have the spin-rotational symmetry. Our variational wave functions consist of generalized Pfaffian-Slater wave functions that involve mixtures of singlet and triplet Cooper pairs, Jastrow-Gutzwiller-type projections, and quantum number projections. The generalized wave functions allow describing states including a wide class of symmetry-broken states, ranging from magnetic and/or charge ordered states to superconducting states and their fluctuations, on equal footing without any ad hoc ansatz for variational wave functions. We detail our optimization scheme for the generalized Pfaffian-Slater wave functions with complex-number variational parameters. Generalized quantum number projections are also introduced, which imposes the conservation of not only the momentum quantum number but also Wilson loops. As a demonstration of the capability of the present variational Monte Carlo method, the accuracy and efficiency is tested for the Kitaev and Kitaev-Heisenberg models, which lack the SU(2) spin-rotational symmetry except at the Heisenberg limit. The Kitaev model serves as a critical benchmark of the present method: The exact ground state of the model is a typical gapless quantum spin liquid far beyond the reach of simple mean-field wave functions. The newly introduced quantum number projections precisely reproduce the ground state degeneracy of the Kitaev spin liquids, in addition to their ground state energy. An application to a closely related itinerant model described by a multiorbital Hubbard model with the spin-orbit interaction also shows promising benchmark results. The strong-coupling limit of the multiorbital Hubbard model is indeed described by the Kitaev model. Our framework offers accurate solutions for the systems where strong electron correlation and spin
Decay of a nonlinear impurity in a structured continuum from a nonlinear Fano-Anderson model
Longhi, Stefano
2007-05-01
The decay dynamics of a nonlinear impurity mode embedded in a linear structured continuum is theoretically investigated in the framework of a nonlinear Fano-Anderson model. A gradient flow dynamics for the survival probability is derived in the Van Hove ({lambda}{sup 2}t) limit by a multiple-scale asymptotic analysis, and the role of nonlinearity on the decay law is discussed. In particular, it is shown that the existence of bound states embedded in the continuum acts as transient trapping states which slow down the decay. The dynamical behavior predicted in the {lambda}{sup 2}t limit is studied in detail for a simple tight-binding one-dimensional lattice model, which may describe electron or photon transport in condensed matter or photonic systems. Numerical simulations of the underlying equations confirm, in particular, the trapping effect in the decay process due to bound states embedded in the continuum.
Measurements and modeling of impurity source distributions from the Tore Supra outboard pump limiter
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.
Measurements and modeling of impurity source distributions from the Tore Supra outboard pump limiter
Klepper, C.C.; Hogan, J.T.; Isler, R.C.; Tobin, S.J.; Guilhem, D.; Hess, W.R.; Monier-Garbet, P.
1994-08-01
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.
Non-equilibrium STLS approach to transport properties of single impurity Anderson model
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
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
Second-order perturbation theory for the single-impurity Anderson model of a BCS superconductor
NASA Astrophysics Data System (ADS)
Alastalo, Ari T.
2017-09-01
This paper presents a conserving approximation for a single magnetic impurity embedded in a BCS superconductor according to the Anderson model. The calculation generalizes the second-order selfenergy theory of a normal metal host into a superconducting medium. Within the second-order theory, both spin and pairing fluctuations contribute to the selfenergy. The second-order theory removes the unphysical spontaneous symmetry breaking of the Hartree-Fock approximation but results in a doubling of the bound-state spectrum within the energy gap. The HF bound states may be recovered in the small-U limit as the average of the two separate bound states. For increasing U, the novel pronounced low-energy bound states tend towards the center of the gap while the other bound states approach the gap edge and their spectral weights vanish.
Numerical renormalization group for the bosonic single-impurity Anderson model: Dynamics
NASA Astrophysics Data System (ADS)
Lee, Hyun-Jung; Byczuk, Krzysztof; Bulla, Ralf
2010-08-01
The bosonic single-impurity Anderson model (B-SIAM) is studied to understand the local dynamics of an atomic quantum dot (AQD) coupled to a Bose-Einstein condensation (BEC) state, which can be implemented to probe the entanglement and the decoherence of a macroscopic condensate. Our recent approach of the numerical renormalization-group calculation for the B-SIAM revealed a zero-temperature phase diagram, where a Mott phase with local depletion of normal particles is separated from a BEC phase with enhanced density of the condensate. As an extension of the previous work, we present the calculations of the local dynamical quantities of the B-SIAM which reinforce our understanding of the physics in the Mott and the BEC phases.
Submonolayer epitaxy with impurities
NASA Astrophysics Data System (ADS)
Kotrla, Miroslav; Krug, Joachim; Smilauer, Pavel
2000-03-01
The effect of impurities on epitaxial growth in the submonolayer regime is studied using kinetic Monte Carlo simulations of a two-species solid-on-solid growth model. Both species are mobile, and attractive interactions among adatoms and between adatoms and impurities are incorporated. Impurities can be codeposited with the growing material or predeposited prior to growth. The activated exchange of impurities and adatoms is identified as the key kinetic process in the formation a growth morphology in which the impurities decorate the island edges. The dependence of the island density N on flux F and coverage θ is studied in detail. The impurities strongly increase the island density without appreciably changing the exponent \\chi in the power law relation N ~ F^\\chi, apart from a saturation of the flux dependence at large F and small θ. Within the present model, even completely decorated island edges do not provide efficient barriers to the attachment of adatoms, and therefore the mechanism for the increase of \\chi proposed by D. Kandel [Phys. Rev. Lett. 78, 499 (1997)] is not operative. A simple analytic theory taking into account only the dependence of the adatom diffusion constant on impurity coverage is shown to provide semi-quantitative agreement with many features observed in the simulations.
NASA Astrophysics Data System (ADS)
Manas, P.; Hornsby, W. A.; Angioni, C.; Camenen, Y.; Peeters, A. G.
2017-03-01
The impact of the neoclassical background on turbulent impurity transport is investigated by means of gyrokinetic simulations supported by fluid equations. The latter are derived, using a Laguerre polynomials expansion of the first order neoclassical distribution function, and analytical expressions of the turbulent momentum flux and impurity transport coefficients are assessed. Comparisons of gyrokinetic simulations including this neoclassical background (coupling between the codes GKW and NEO) and the fluid model are used to identify the main mechanisms behind the modification of the turbulent transport channels and benchmark the numerical implementation. These mechanisms include a modification of the parallel dynamics of the main ions and direct contributions stemming from the asymmetry in the parallel velocity space of the neoclassical distribution function. The latter which is found dominant for turbulent impurity transport, increases with increasing collisionality, R/{L}{Ti}, R/{L}n, impurity mass, safety factor and aspect ratio. These contributions to momentum and impurity fluxes are also found to depend on the directions of the toroidal magnetic field and plasma current.
NASA Astrophysics Data System (ADS)
Cai, Ang; Pixley, Jedediah; Si, Qimiao
Heavy fermion metals represent a canonical system to study superconductivity driven by quantum criticality. We are particularly motivated by the properties of CeRhIn5, which shows the characteristic features of a Kondo destruction quantum critical point (QCP) in its normal state, and has one of the highest Tc's among the heavy fermion superconductors. As a first step to study this problem within a cluster-EDMFT approach, we analyze a four-site Anderson impurity model with the antiferromagnetic spin component of the cluster coupled to a sub-Ohmic bosonic bath. We find a QCP that belongs to the same universality class as the single-site Bose-Fermi Anderson model. Together with previous work on a two-site model, our result suggests that the Kondo destruction QCP is robust as cluster size increases. More importantly, we are able to calculate the d-wave pairing susceptibility, which we find to be enhanced near the QCP. Using this model as the effective cluster model of the periodic Anderson model, we are also able to study the superconducting pairing near the Kondo-destruction QCP of the lattice model; preliminary results will be presented.
Sandvik, Anders W
2007-06-01
Using ground-state projector quantum Monte Carlo simulations in the valence-bond basis, it is demonstrated that nonfrustrating four-spin interactions can destroy the Néel order of the two-dimensional S=1/2 Heisenberg antiferromagnet and drive it into a valence-bond solid (VBS) phase. Results for spin and dimer correlations are consistent with a single continuous transition, and all data exhibit finite-size scaling with a single set of exponents, z=1, nu=0.78+/-0.03, and eta=0.26+/-0.03. The unusually large eta and an emergent U(1) symmetry, detected using VBS order parameter histograms, provide strong evidence for a deconfined quantum critical point.
NASA Astrophysics Data System (ADS)
Shimokawa, Tokuro; Kawamura, Hikaru
2016-11-01
Thermal properties of the S = 1/2 kagome Heisenberg antiferromagnet at low temperatures are investigated by means of the Hams-de Raedt method for clusters of up to 36 sites possessing a full symmetry of the lattice. The specific heat exhibits, in addition to the double peaks, the third and the fourth peaks at lower temperatures. With decreasing the temperature, the type of the magnetic short-range order (SRO) changes around the third-peak temperature from the √{3} × √{3} to the q = 0 states, suggesting that the third peak of the specific heat is associated with a crossover phenomenon between the spin-liquid states with distinct magnetic SRO. Experimental implications are discussed.
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.
NASA Astrophysics Data System (ADS)
Wang, Hao; Wu, Guoxing; Chen, Daojiong
2012-07-01
Based on the isotropic two spin-1/2 qubits Heisenberg model with Dzyaloshinskii-Moriya interaction in a constant external magnetic field, we have constructed the entangled quantum Otto engine. Expressions for the basic thermodynamic quantities, i.e. the amount of heat exchange, the net work output and the efficiency, are derived. The influence of thermal entanglement on these basic thermodynamic quantities is investigated. Moreover, some intriguing features and their qualitative explanations in zero and finite magnetic field are given. The validity of the second law of thermodynamics is confirmed in the system. The results obtained here have general significance and will be useful in increasing understanding of the performance of an entangled quantum engine.
NASA Astrophysics Data System (ADS)
Dufour, Jérôme; Mila, Frédéric
2016-09-01
We show that, when N is a multiple of 6 (N =6 m , where m is an integer), the SU (N) Heisenberg model on the honeycomb lattice with m particles per site has a clear tendency toward chiral order as soon as m ≥2 . This conclusion has been reached by a systematic variational Monte Carlo investigation of Gutzwiller projected wave functions as a function of m between the case of one particle per site (m =1 ), for which the ground state has recently been shown to be in a plaquette singlet state, and the m →∞ limit, where a mean-field approach has established that the ground state has chiral order. This demonstrates that the chiral phase can indeed be stabilized for not too large values of m , opening the way to its experimental realizations in other lattices.
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.
Edge and impurity response in two-dimensional quantum antiferromagnets
NASA Astrophysics Data System (ADS)
Metlitski, Max A.; Sachdev, Subir
2008-11-01
Motivated by recent Monte Carlo simulations of Höglund and Sandvik (arXiv:0808.0408), we study edge response in square lattice quantum antiferromagnets. We use the O(3) nonlinear σ model to compute the decay asymptotics of the staggered magnetization, energy density, and local magnetic susceptibility away from the edge. We find that the total edge susceptibility is negative and diverges logarithmically as the temperature T→0 . We confirm the predictions of the continuum theory by performing a 1/S expansion of the microscopic Heisenberg model with the edge. We propose a qualitative explanation of the edge dimerization seen in Monte Carlo simulations by a theory of valence-bond-solid correlations in the Néel state. We also discuss the extension of the latter theory to the response of a single nonmagnetic impurity, and its connection to the theory of the deconfined critical point.
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
Modelling of plasma behaviour in the vicinity of intensive impurity sources
NASA Astrophysics Data System (ADS)
Tokar, Mikhail Z.; Ding, Rui; Koltunov, Mikhail
2010-07-01
Plasma behaviour in the vicinity of strong sources of impurities is considered by taking into account quasi-neutrality, Coulomb collisions of background particles with impurity ions, radiation losses and sinks of charged particles to bounding material surfaces. If several ion species are present in the plasma the generalized Bohm criterion requires that a certain function of the main ion velocity changes its sign when moving along the magnetic field from the distant plasma through the impurity source to the surface. This allows us to formulate the 'regularity' conditions for the motion equation of the main ions and a numerical approach to find the only physical solution without singularities is elaborated. Calculations of plasma parameters in the shadow of a limiter, through which impurities are injected, have been done for the conditions of impurity seeding experiments in the tokamak TEXTOR.
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.
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.
Huang, Yi-Zhen; Xi, Bin; Chen, Xi; Li, Wei; Wang, Zheng-Chuan; Su, Gang
2016-06-01
The quantum phase transition, scaling behaviors, and thermodynamics in the spin-1/2 quantum Heisenberg model with antiferromagnetic coupling J>0 in the armchair direction and ferromagnetic interaction J^{'}<0 in the zigzag direction on a honeycomb lattice are systematically studied using the continuous-time quantum Monte Carlo method. By calculating the Binder ratio Q_{2} and spin stiffness ρ in two directions for various coupling ratios α=J^{'}/J under different lattice sizes, we found that a quantum phase transition from the dimerized phase to the stripe phase occurs at the quantum critical point α_{c}=-0.93. Through the finite-size scaling analysis on Q_{2}, ρ_{x}, and ρ_{y}, we determined the critical exponent related to the correlation length ν to be 0.7212(8), implying that this transition falls into a classical Heisenberg O(3) universality. A zero magnetization plateau is observed in the dimerized phase, whose width decreases with increasing α. A phase diagram in the coupling ratio α-magnetic field h plane is obtained, where four phases, including dimerized, stripe, canted stripe, and polarized, are identified. It is also unveiled that the temperature dependence of the specific heat C(T) for different α's intersects precisely at one point, similar to that of liquid ^{3}He under different pressures and several magnetic compounds under various magnetic fields. The scaling behaviors of Q_{2}, ρ, and C(T) are carefully analyzed. The susceptibility is compared with the experimental data to give the magnetic parameters of both compounds.
NASA Astrophysics Data System (ADS)
Nagai, Kiyoshi
1985-02-01
The global phase diagrams of the corner cubic anisotropic discrete-spin Heisenberg (CH) model and its site-diluted version (dCH) on a triangular lattice are investigated through the position-space renormalization-group method of the simple Migdal-Kadanoff type. The two models include many simpler models as their subspaces, and the interrelations among these models are elucidated. The five-dimensional (5D) phase diagram of the dCH model is generated from the 3D one of the CH model by introducing 2D site-dilution operation. The structure of the 5D phase diagram and the effect of site dilution on the CH model are conveniently visualized by introducing the concept of paths in the 3D subspace. The path describes the temperature variation provided that the ratios between the interaction parameters in the original CH model are fixed. The resulting phase diagrams of the dCH model exhibit the typical three-phase coexistence of solid, liquid, and gas, and their qualitative interpretations are summarized.
Triple point temperature of neon isotopes: Dependence on nitrogen impurity and sealed-cell model
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.
NASA Astrophysics Data System (ADS)
Voloshin, A. E.; Prostomolotov, A. I.; Verezub, N. A.
2016-11-01
The paper deals with the analysis of the accuracy of some one-dimensional (1D) analytical models of the axial distribution of impurities in the crystal grown from a melt. The models proposed by Burton-Prim-Slichter, Ostrogorsky-Muller and Garandet with co-authors are considered, these models are compared to the results of a two-dimensional (2D) numerical simulation. Stationary solutions as well as solutions for the initial transient regime obtained using these models are considered. The sources of errors are analyzed, a conclusion is made about the applicability of 1D analytical models for quantitative estimates of impurity incorporation into the crystal sample as well as for the solution of the inverse problems.
Fast imaging measurements and modeling of neutral and impurity density on C-2U
NASA Astrophysics Data System (ADS)
Granstedt, Erik; Deng, B.; Dettrick, S.; Gupta, D. K.; Osin, D.; Roche, T.; Zhai, K.; TAE Team
2016-10-01
The C-2U device employed neutral beam injection and end-biasing to sustain an advanced beam-driven Field-Reversed Configuration plasma for 5+ ms, beyond characteristic transport time-scales. Three high-speed, filtered cameras observed visible light emission from neutral hydrogen and impurities, as well as deuterium pellet ablation and compact-toroid injection which were used for auxiliary particle fueling. Careful vacuum practices and titanium gettering successfully reduced neutral recycling from the confinement vessel wall. As a result, a large fraction of the remaining neutrals originate from charge-exchange between the neutral beams and plasma ions. Measured H/D- α emission is used with DEGAS2 neutral particle modeling to reconstruct the strongly non-axissymmetric neutral distribution. This is then used in fast-ion modeling to more accurately estimate their charge-exchange loss rate. Oxygen emission due to electron-impact excitation and charge-exchange recombination has also been measured using fast imaging. Reconstructed emissivity of O4+ is localized on the outboard side of the core plasma near the estimated location of the separatrix inferred by external magnetic measurements. Tri Alpha Energy.
NASA Astrophysics Data System (ADS)
Chaloupka, Jiří; Khaliullin, Giniyat
2015-07-01
We have explored the hidden symmetries of a generic four-parameter nearest-neighbor spin model, allowed in honeycomb-lattice compounds under trigonal compression. Our method utilizes a systematic algorithm to identify all dual transformations of the model that map the Hamiltonian on itself, changing the parameters and providing exact links between different points in its parameter space. We have found the complete set of points of hidden SU(2) symmetry at which a seemingly highly anisotropic model can be mapped back on the Heisenberg model and inherits therefore its properties such as the presence of gapless Goldstone modes. The procedure used to search for the hidden symmetries is quite general and may be extended to other bond-anisotropic spin models and other lattices, such as the triangular, kagome, hyperhoneycomb, or harmonic-honeycomb lattices. We apply our findings to the honeycomb-lattice iridates Na2IrO3 and Li2IrO3 , and illustrate how they help to identify plausible values of the model parameters that are compatible with the available experimental data.
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.
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.
NASA Astrophysics Data System (ADS)
Grimm, Uwe; Schütz, Gunter
1993-06-01
The finite-size scaling spectra of the spin-1/2 XXZ Heisenberg chain with toroidal boundary conditions and an even number of sites provide a projection mechanism yielding the spectra of models with a central charge c < 1, including the unitary and nonunitary minimal series. Taking into account the half-integer angular momentum sectors—which correspond to chains with an odd number of sites—in many cases leads to new spinor operators appearing in the projected systems. These new sectors in the XXZ chain correspond to new types of frustration lines in the projected minimal models. The corresponding new boundary conditions in the Hamiltonian limit are investigated for the Ising model and the 3-state Potts model and are shown to be related to duality transformations which are an additional symmetry at their self-dual critical point. By different ways of projecting systems we find models with the same central charge sharing the same operator content and modular invariant partition function which, however, differ in the distribution of operators into sectors and hence in the physical meaning of the operators involved. Related to the projection mechanism in the continuum there are remarkable symmetry properties of the finite XXZ chain. The observed degeneracies in the energy and momentum spectra are shown to be the consequence of intertwining relations involving U q [sl(2)] quantum algebra transformations.
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.
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.
The Consultancy Activity on In Silico Models for Genotoxic Prediction of Pharmaceutical Impurities.
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.
SUGRA new inflation with Heisenberg symmetry
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.
NASA Astrophysics Data System (ADS)
Aksu, H.; Goker, A.
2017-03-01
We invoke the nonequilibrium self-consistent GW method within the Anderson impurity model to investigate the dynamical effects occurring in a nanojunction comprised of two coupled molecules. Contrary to the previous single impurity model calculations based on the GW approximation, we observe that the density of states manages to capture both the Kondo resonance and the Breit-Wigner resonances associated with the HOMO and LUMO levels of the molecule. Moreover, the prominence of the Kondo resonance grows dramatically upon switching from the intermediate to the weak coupling regime involving large U / Γ values. The conductance is calculated as a function of the HOMO level and the applied bias across the molecular nanojunction. Calculated conductance curves deviate from the monotonic decay behaviour as a function of the bias when the half-filling condition is not met. The importance of the effect of the molecule-molecule coupling for the electron transport phenomena is also investigated.
Microscopic Origin of Heisenberg and Non-Heisenberg Exchange Interactions in Ferromagnetic bcc Fe.
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.
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.
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.
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.
Multicritical point in a diluted bilayer Heisenberg quantum antiferromagnet.
Sandvik, Anders W
2002-10-21
The S=1/2 Heisenberg bilayer antiferromagnet with randomly removed interlayer dimers is studied using quantum Monte Carlo simulations. A zero-temperature multicritical point (p(*),g(*)) at the classical percolation density p=p(*) and interlayer coupling g(*) approximately equal 0.16 is demonstrated. The quantum critical exponents of the percolating cluster are determined using finite-size scaling. It is argued that the associated finite-temperature quantum critical regime extends to zero interlayer coupling and could be relevant for antiferromagnetic cuprates doped with nonmagnetic impurities.
NASA Astrophysics Data System (ADS)
Liu, Changle; Zhang, Anmin; Zhang, Qingming; Yu, Rong; Wang, Xiaoqun
2017-03-01
We study the two-magnon nonresonant Raman scattering in the (π ,π ) and (π ,0 ) in-plane ordered antiferromagnetic phases of a spin-S J1 x-J1 y-J2-Jc Heisenberg model on the tetragonal lattice within the framework of the spin-wave theory. We show that magnon-magnon interactions may significantly change the shape of spectra even in large-S cases. We discuss the effects of various tuning factors to the two-magnon Raman spectra. We find that both the magnetic frustration J2/J1 and the interlayer exchange coupling Jc may significantly affect the spectra in both the B1 g and the A1g ' channels in the (π ,π ) Néel ordered phase. Moreover, we find a splitting of the two-magnon peak in the (π ,0 ) collinear antiferromagnetic phase. We further discuss the implications of our results to the BaMnBi2 and iron pnictide systems.
NASA Astrophysics Data System (ADS)
Kumar, Krishna; Changlani, Hitesh J.; Clark, Bryan K.; Fradkin, Eduardo
2016-10-01
We perform an exact-diagonalization study of the spin-1/2 XXZ Heisenberg antiferromagnet on the kagome lattice at finite magnetization m =2/3 with an emphasis on the X Y point (Jz=0 ) and in the presence of a small chiral term. Recent analytic work by Kumar et al. [K. Kumar, K. Sun, and E. Fradkin, Phys. Rev. B 90, 174409 (2014), 10.1103/PhysRevB.90.174409] on the same model, using a newly developed flux attachment transformation, predicts a plateau at this value of the magnetization described by a chiral spin liquid (CSL) with a spin Hall conductance of σx y=1/2 . Such a state is topological in nature, has a ground-state degeneracy, and exhibits fractional excitations. We analyze the degeneracy structure in the low-energy manifold, identify the candidate topological states, and use them to compute the modular matrices and Chern numbers, all of which strongly agree with expected theoretical behavior for the σx y=1/2 CSL. In the limit of zero chirality, we find on most (not all) clusters that the topological invariants are still those of a CSL.
NASA Astrophysics Data System (ADS)
Pu, Qiurong; Chen, Yuan
2013-02-01
Green's function method is applied to investigate the two-dimensional spin-1 ferromagnetic Heisenberg model with the exchange and single-ion anisotropies. In the presence of the magnetic field, the effects of the anisotropies and field on the thermodynamic properties are obtained within the random phase approximation combining with Anderson-Callen approximation. The field-induced laws are found for the thermodynamic properties. Field dependences of heights of the susceptibility maximum and specific heat maximum fit well to power laws. The linear increase at high fields is shown for positions of the susceptibility maximum and specific heat maximum. A power law at low fields occurs for the position of the susceptibility maximum. At the positions of the maxima, the magnetization and internal energy display the power-law increase and linear decrease with the field, respectively. The exponents of the power laws are dependent of the anisotropies, as well as the slopes of the linear laws. Our results do not support the 2/3 power law which was obtained by the Landau theory.
NASA Astrophysics Data System (ADS)
Arian Zad, Hamid
2016-12-01
We analytically investigate Multiple Quantum (MQ) NMR dynamics in a mixed-three-spin (1/2,1,1/2) system with XXX Heisenberg model at the front of an external homogeneous magnetic field B. A single-ion anisotropy property ζ is considered for the spin-1. The intensities dependence of MQ NMR coherences on their orders (zeroth and second orders) for two pairs of spins (1,1/2) and (1/2,1/2) of the favorite tripartite system are obtained. It is also investigated dynamics of the pairwise quantum entanglement for the bipartite (sub)systems (1,1/2) and (1/2,1/2) permanently coupled by, respectively, coupling constants J}1 and J}2, by means of concurrence and fidelity. Then, some straightforward comparisons are done between these quantities and the intensities of MQ NMR coherences and ultimately some interesting results are reported. We also show that the time evolution of MQ coherences based on the reduced density matrix of the pair spins (1,1/2) is closely connected with the dynamics of the pairwise entanglement. Finally, we prove that one can introduce MQ coherence of the zeroth order corresponds to the pair spins (1,1/2) as an entanglement witness at some special time intervals.
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.
NASA Astrophysics Data System (ADS)
Utz, Yannic; Hammerath, Franziska; Kraus, Roberto; Ritschel, Tobias; Geck, Jochen; Hozoi, Liviu; van den Brink, Jeroen; Mohan, Ashwin; Hess, Christian; Karmakar, Koushik; Singh, Surjeet; Bounoua, Dalila; Saint-Martin, Romuald; Pinsard-Gaudart, Loreynne; Revcolevschi, Alexandre; Büchner, Bernd; Grafe, Hans-Joachim
2017-09-01
The S =1 /2 Heisenberg spin chain compound SrCuO2 doped with different amounts of nickel (Ni), palladium (Pd), zinc (Zn), and cobalt (Co) has been studied by means of Cu nuclear magnetic resonance (NMR). Replacing only a few of the S =1 /2 Cu ions with Ni, Pd, Zn, or Co has a major impact on the magnetic properties of the spin chain system. In the case of Ni, Pd, and Zn an unusual line broadening in the low temperature NMR spectra reveals the existence of an impurity-induced local alternating magnetization (LAM), while strongly decaying spin-lattice relaxation rates T1-1 towards low temperatures indicate the opening of spin gaps. A distribution of gap magnitudes is implied by a stretched spin-lattice relaxation and a variation of T1-1 within the broad resonance lines. These observations depend strongly on the impurity concentration and therefore can be understood using the model of finite segments of the spin 1 /2 antiferromagnetic Heisenberg chain, i.e., pure chain segmentation due to S =0 impurities. This is surprising for Ni as it was previously assumed to be a magnetic impurity with S =1 which is screened by the neighboring copper spins. In order to confirm the S =0 state of the Ni, we performed x-ray absorption spectroscopy (XAS) and compared the measurements to simulated XAS spectra based on multiplet ligand-field theory. Furthermore, Zn doping leads to much smaller effects on both the NMR spectra and the spin-lattice relaxation rates, indicating that Zn avoids occupying Cu sites. For magnetic Co impurities, T1-1 does not obey the gaplike decrease, and the low-temperature spectra get very broad. This could be related to an increase of the Néel temperature and is most likely an effect of the impurity spin S ≠0 .
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
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(SM), 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.
NASA Astrophysics Data System (ADS)
Shimokawa, Tokuro; Watanabe, Ken; Kawamura, Hikaru
2015-10-01
Inspired by the recent theoretical suggestion that the random-bond S =1 /2 antiferromagnetic Heisenberg model on the triangular and the kagome lattices might exhibit a randomness-induced quantum spin liquid (QSL) behavior when the strength of the randomness exceeds a critical value, and that this "random-singlet state" might be relevant to the QSL behaviors experimentally observed in triangular organic salts κ -(ET) 2Cu2(CN) 3 and EtMe3Sb [Pd(dmit)2] 2 and in kagome herbertsmithite ZnCu3(OH) 6Cl2 , we further investigate the nature of the static and the dynamical spin correlations of these models. We compute the static and the dynamical spin structure factors, S (q ) and S (q ,ω ) , by means of an exact diagonalization method. In both triangular and kagome models, the computed S (q ,ω ) in the random-singlet state depends on the wave vector q only weakly, robustly exhibiting gapless behaviors accompanied by the broad distribution extending to higher energy ω . Especially in the strongly random kagome model, S (q ,ω ) hardly depends on q , and exhibits an almost flat distribution for a wide range of ω , together with a ω =0 peak. These features agree semiquantitatively with the recent neutron-scattering data on a single-crystal herbertsmithite. Furthermore, the computed magnetization curve agrees almost quantitatively with the experimental one recently measured on a single-crystal herbertsmithite. These results suggest that the QSL state observed in herbertsmithite might indeed be the randomness-induced QSL state, i.e., the random-singlet state.
Cai, W P; Yan, Z R; Liu, R M; Qin, M H; Zeng, M; Lu, X B; Gao, X S; Liu, J-M
2017-10-11
Based on the modified Heisenberg-Kitaev model, the effects of magnetic substitution on the magnetic properties of the honeycomb-lattice iridate [Formula: see text] [Formula: see text] are studied using Monte Carlo simulations. It is observed that the long-range zigzag state of the original system is rather fragile and can be replaced by a spin-glass state even for small substitution, well consistent with the experimental observation in Ru-substituted samples (Mehlawat et al 2015 Phys. Rev. B 92 134412). Both the disordered Heisenberg and Kitaev interactions caused by the magnetic ion-doping are suggested to be responsible for the magnetic phase transitions in the system. More interestingly, a short-range zigzag order is suggested to survive above the freezing temperature even at high magnetic impurity doping levels.
Cohomology of Heisenberg Lie superalgebras
NASA Astrophysics Data System (ADS)
Bai, Wei; Liu, Wende
2017-02-01
Suppose the ground field to be algebraically closed and of characteristic different from 2 and 3. All Heisenberg Lie superalgebras consist of two super-versions of the Heisenberg Lie algebras, 𝔥2m,n and 𝔟𝔞n with m a non-negative integer and n a positive integer. The space of a "classical" Heisenberg Lie superalgebra 𝔥2m,n is the direct sum of a superspace with a non-degenerate anti-supersymmetric even bilinear form and a one-dimensional space of values of this form constituting the even center. The other super-analog of the Heisenberg Lie algebra, 𝔟𝔞n, is constructed by means of a non-degenerate anti-supersymmetric odd bilinear form with values in the one-dimensional odd center. In this paper, we study the cohomology of 𝔥2m,n and 𝔟𝔞n with coefficients in the trivial module by using the Hochschild-Serre spectral sequences relative to a suitable ideal. In the characteristic zero case, for any Heisenberg Lie superalgebra, we determine completely the Betti numbers and associative superalgebra structures for their cohomology. In the characteristic p > 3 case, we determine the associative superalgebra structure for the divided power cohomology of 𝔟𝔞n and we also make an attempt to determine the divided power cohomology of 𝔥2m,n by computing it in a low-dimensional case.
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.
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.
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.
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.
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
NASA Astrophysics Data System (ADS)
Sposetti, C. N.; Manuel, L. O.; Roura-Bas, P.
2016-08-01
The Anderson impurity model is studied by means of the self-consistent hybridization expansions in its noncrossing (NCA) and one-crossing (OCA) approximations. We have found that for the one-channel spin-1 /2 particle-hole symmetric Anderson model, the NCA results are qualitatively wrong for any temperature, even when the approximation gives the exact threshold exponents of the ionic states. Actually, the NCA solution describes an overscreened Kondo effect, because it is the same as for the two-channel infinite-U single-level Anderson model. We explicitly show that the NCA is unable to distinguish between these two very different physical systems, independently of temperature. Using the impurity entropy as an example, we show that the low-temperature values of the NCA entropy for the symmetric case yield the limit Simp(T =0 ) →ln√{2 }, which corresponds to the zero temperature entropy of the overscreened Kondo model. Similar pathologies are predicted for any other thermodynamic property. On the other hand, we have found that the OCA approach lifts the artificial mapping between the models and restores correct properties of the ground state, for instance, a vanishing entropy at low enough temperatures Simp(T =0 ) →0 . Our results indicate that the very well known NCA should be used with caution close to the symmetric point of the Anderson model.
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.
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.
NASA Astrophysics Data System (ADS)
Huang, Yi-Zhen; Su, Gang
2017-05-01
The continuous imaginary-time quantum Monte Carlo method with the worm update algorithm is applied to explore the ground-state properties of the spin-1/2 Heisenberg model with antiferromagnetic (AF) coupling J >0 and ferromagnetic (F) coupling J'<0 along zigzag and armchair directions, respectively, on honeycomb lattice. It is found that by enhancing the F coupling J' between zigzag AF chains, the system is smoothly crossover from one-dimensional zigzag spin chains to a two-dimensional magnetic ordered state. In absence of an external field, the system is in a stripe-ordered phase. In the presence of uniform and staggered fields, the uniform and staggered out-of-plane magnetizations appear while the stripe order remains in the x y plane, and a second-order quantum phase transition (QPT) at a critical staggered field is observed. The critical exponents of correlation length for QPTs induced by a staggered field for the cases with J >0 , J'<0 and J <0 , J'>0 are obtained to be ν =0.70046 (1 ) and 0.7086 (3 ) , respectively, indicating that both cases belong to O(3) universality. The corresponding dynamic and susceptibility exponent z and γ /ν are fitted to be 1.006572(9), 1.9412(2) and 1.004615(8), 1.96121(9) for the two cases, respectively. The scaling behavior in a staggered field is analyzed, and the ground-state phase diagrams in the plane of coupling ratio and staggered field are presented for two cases. The temperature dependence of susceptibility and specific heat of both systems in external magnetic fields is also discussed. A Kosterlitz-Thouless phase transition is found for the present system in a uniform field.
NASA Astrophysics Data System (ADS)
Ferrari, Francesco; Bieri, Samuel; Becca, Federico
2017-09-01
Using variational wave functions and Monte Carlo techniques, we study the antiferromagnetic Heisenberg model with first-neighbor J1 and second-neighbor J2 antiferromagnetic couplings on the honeycomb lattice. We perform a systematic comparison of magnetically ordered and nonmagnetic states (spin liquids and valence-bond solids) to obtain the ground-state phase diagram. Néel order is stabilized for small values of the frustrating second-neighbor coupling. Increasing the ratio J2/J1 , we find strong evidence for a continuous transition to a nonmagnetic phase at J2/J1≈0.23 . Close to the transition point, the Gutzwiller-projected uniform resonating valence-bond state gives an excellent approximation to the exact ground-state energy. For 0.23 ≲J2/J1≲0.36 , a gapless Z2 spin liquid with Dirac nodes competes with a plaquette valence-bond solid. In contrast, the gapped spin liquid considered in previous works has significantly higher variational energy. Although the plaquette valence-bond order is expected to be present as soon as the Néel order melts, this ordered state becomes clearly favored only for J2/J1≳0.3 . Finally, for 0.36 ≲J2/J1≤0.5 , a valence-bond solid with columnar order takes over as the ground state, being also lower in energy than the magnetic state with collinear order. We perform a detailed finite-size scaling and standard data collapse analysis, and we discuss the possibility of a deconfined quantum critical point separating the Néel antiferromagnet from the plaquette valence-bond solid.
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.
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.
NASA Astrophysics Data System (ADS)
Schwarz, F.; Goldstein, M.; Dorda, A.; Arrigoni, E.; Weichselbaum, A.; von Delft, J.
2016-10-01
The description of interacting quantum impurity models in steady-state nonequilibrium is an open challenge for computational many-particle methods: the numerical requirement of using a finite number of lead levels and the physical requirement of describing a truly open quantum system are seemingly incompatible. One possibility to bridge this gap is the use of Lindblad-driven discretized leads (LDDL): one couples auxiliary continuous reservoirs to the discretized lead levels and represents these additional reservoirs by Lindblad terms in the Liouville equation. For quadratic models governed by Lindbladian dynamics, we present an elementary approach for obtaining correlation functions analytically. In a second part, we use this approach to explicitly discuss the conditions under which the continuum limit of the LDDL approach recovers the correct representation of thermal reservoirs. As an analytically solvable example, the nonequilibrium resonant level model is studied in greater detail. Lastly, we present ideas towards a numerical evaluation of the suggested Lindblad equation for interacting impurities based on matrix product states. In particular, we present a reformulation of the Lindblad equation, which has the useful property that the leads can be mapped onto a chain where both the Hamiltonian dynamics and the Lindblad driving are local at the same time. Moreover, we discuss the possibility to combine the Lindblad approach with a logarithmic discretization needed for the exploration of exponentially small energy scales.
Computational Modeling of Uranium Corrosion and the role of Impurities(Fe, Cr, Al, C and Si)
Balasubramanian, K; Sikehaus, W; Balazs, B; Mclean II, W
2005-10-31
My talk will focus on our recent computational modeling results of uranium corrosion and the impact of impurities on uranium corrosion, which occurs primarily through hydriding Uranium hydriding is one of the most important processes that has received considerable attention over many years. Although significant number of experimental and modeling studies have been carried out concerning thermo chemistry, diffusion kinetics and mechanisms of U-hydriding, very little is known about the electronic structure and electronic features that govern the U-hydriding process. Our modeling efforts focus the electronic feature that controls the activation barrier and thus the rate of hydriding. Our recent efforts have been focused on the role of impurities such as Fe, Cr, Si, C, Al and so on. Moreover the role of impurities and the role of the product UH{sub 3} on hydriding rating have not been fully understood. Condon's diffusion model was found to be in excellent agreement with the experimental reaction rates. From the slopes of the Arrhenius plot the activation energy was calculated as 6.35 kcal/mole. Bloch and Mintz have discussed two models, one, which considers hydrogen diffusion through a protective UH{sub 3} product layer, and the second where hydride growth occurs at the hydride-metal interface. These authors obtained two-dimensional fits of experimental data to the pressure-temperature reactions. Powell et al. have studied U-hydriding in ultrahigh vacuum and obtained the linear rate data over a wide range of temperatures and pressures. They found reversible hydrogen sorption on the UH{sub 3} reaction product from kinetic effects at 21 C. This demonstrates restarting of the hydriding process in the presence of UH{sub 3} reaction product. DeMint and Leckey have shown that Si impurities dramatically accelerate the U-hydriding rates. We report our recent results of relativistic computations that vary from complete active space multi-configuration interaction (CAS
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.
Superconducting pairing of interacting electrons: implications from the two-impurity Anderson model
NASA Astrophysics Data System (ADS)
Zhu, Lijun; Zhu, Jian-Xin
2011-03-01
We study the non-local superconducting pairing of two interacting Anderson impurities, which has an instability near the quantum critical point from the competition between the Kondo effect and an antiferromagnetic inter-impurity spin exchange interaction. As revealed by the dynamics over the whole energy range, the superconducting pairing fluctuations acquire considerable strength from an energy scale much higher than the characteristic spin fluctuation scale while the low energy behaviors follow those of the staggered spin susceptibility. We argue that the superconducting pairing might not need the spin fluctuations as the glue, but rather originated from the effective Coulomb interaction. On the other hand, critical spin fluctuations in the vicinity of quantum criticality are also crucial to a superconducting pairing instability, by preventing a Fermi liquid fixed point being reached to keep the superconducting pairing fluctuations finite at low energies. A superconducting order, to reduce the accumulated entropy carried by the critical degrees of freedom, may arise favorably from this instability. This work is supported by the U.S. DOE through the LANL/LDRD program.
Renormalization group approach to the Fröhlich polaron model: application to impurity-BEC problem
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
Resonant soliton-impurity interactions
NASA Astrophysics Data System (ADS)
Kivshar, Yuri S.; Fei, Zhang; Vázquez, Luis
1991-09-01
We describe a new type of soliton-impurity interaction and demonstrate that the soliton can be totally reflected by an attractive impurity if its initial velocity lies in certain resonance ``windows.'' This effect has an analogy with the resonance phenomena in kink-antikink collisions [Campbell, Schonfeld, and Wingate, Physica (Amsterdam) 9D, 1 (1983)], and it can be explained by a resonant energy exchange between the soliton and the impurity mode. Taking the sine-Gordon and φ4 models as examples, we find a number of resonance windows by numerical simulations and develop a collective-coordinate approach to describe the effect analytically.
Anisotropic local Fermi liquid effect in impurity model of UPt 3
NASA Astrophysics Data System (ADS)
Yotsuhashi, Satoshi; Miyake, Kazumasa; Kusunose, Hiroaki
2002-03-01
It is shown by the Wilson numerical renormalization group approach that anomalous local Fermi liquid, in which the static magnetic susceptibility remains uncorrelated value while the NMR relaxation rate is enhanced in proportional to the square of mass enhancement factor, appears in strongly correlated impurity with f2-crystalline-electric-field singlet configuration. The difference of the behaviors between static magnetic susceptibility and the NMR relaxation rate is explained by the difference of the local Fermi liquid effect, which arises from the anisotropy of the crystalline-electric-field effect in f2-configuration. As a result, the Korringa-Shiba relation is apparently broken in this situation. These behaviors well simulate the anomalous properties observed in UPt3 which exhibits unenhanced Knight shift and enhanced relaxation rate of NMR.
NASA Astrophysics Data System (ADS)
Yotsuhashi, Satoshi; Maebashi, Hideaki
2002-07-01
Numerical renormalization-group results on entropy of the anisotropic two-channel Kondo model with the band-width cutoff (D) in the presence of a magnetic field (h) are obtained to determine crossover temperature from the non-Fermi liquid to Fermi liquid fixed point. It is found that the crossover temperature (Tx) is given by Tx\\equiv{r}TK˜ D(Δ J/Jav)2 e-1/Jav when (h /TK)2 ≪ r ≪ 1 , where TK, Jav and Δ J are the Kondo temperature, the average and difference of the exchange coupling constants, respectively. This result indicates that non-Fermi liquid behavior can be seen even if Δ J ≫ TK. Robust similarities of the crossover behavior in the region around the non-Fermi liquid critical point to that of the two-impurity Kondo model are also discussed.
NASA Astrophysics Data System (ADS)
Voloshin, A. E.
2013-11-01
The well-known one-dimensional Burton-Prim-Slichter and Ostrogorsky-Müller analytical models obtained for the stationary mass transfer regime describe in a simple form the dependence of the effective impurity segregation coefficient on the ratio of the crystal growth and convective flow rates. Solutions for the initial transient regime are found in both models. It is shown that the formulas obtained make it possible to determine both the crystal growth rate and the convective mixing intensity on the basis of the analysis of impurity segregation in crystal.
Spin pseudogap in the S=12 chain material Sr2CuO3 with impurities
Simutis, G.; Gvasaliya, S.; Beesetty, N. S.; ...
2017-02-07
Here, the low-energy magnetic excitation spectrum of the Heisenberg antiferromagnetic S = 1/2 chain system Sr2CuO3 with Ni and Ca impurities is studied by neutron spectroscopy. In all cases, a defect-induced spectral pseudogap is observed and shown to scale proportionately to the number of scattering centers in the spin chains.
Gyrokinetic modeling of impurity peaking in JET H-mode plasmas
NASA Astrophysics Data System (ADS)
Manas, P.; Camenen, Y.; Benkadda, S.; Weisen, H.; Angioni, C.; Casson, F. J.; Giroud, C.; Gelfusa, M.; Maslov, M.
2017-06-01
Quantitative comparisons are presented between gyrokinetic simulations and experimental values of the carbon impurity peaking factor in a database of JET H-modes during the carbon wall era. These plasmas feature strong NBI heating and hence high values of toroidal rotation and corresponding gradient. Furthermore, the carbon profiles present particularly interesting shapes for fusion devices, i.e., hollow in the core and peaked near the edge. Dependencies of the experimental carbon peaking factor ( R / L nC ) on plasma parameters are investigated via multilinear regressions. A marked correlation between R / L nC and the normalised toroidal rotation gradient is observed in the core, which suggests an important role of the rotation in establishing hollow carbon profiles. The carbon peaking factor is then computed with the gyrokinetic code GKW, using a quasi-linear approach, supported by a few non-linear simulations. The comparison of the quasi-linear predictions to the experimental values at mid-radius reveals two main regimes. At low normalised collisionality, ν * , and T e / T i < 1 , the gyrokinetic simulations quantitatively recover experimental carbon density profiles, provided that rotodiffusion is taken into account. In contrast, at higher ν * and T e / T i > 1 , the very hollow experimental carbon density profiles are never predicted by the simulations and the carbon density peaking is systematically over estimated. This points to a possible missing ingredient in this regime.
NASA Astrophysics Data System (ADS)
Shiina, Ryousuke
2017-03-01
An interplay of valence fluctuation and orbital occupancy is studied for a two-orbital impurity Anderson model having f2 singlet ground and triplet excited states in the localized limit. Employing the numerical renormalization group method, we identify the existence of a quantum phase transition between the local-singlet and the Kondo-singlet states in a variation of the c-f hybridization, and clarify how it depends on the f2 singlet-triplet energy splitting. It is found that the transition takes place definitely at a finite strength of the hybridization even when the singlet-triplet splitting is infinitely large. It is also found that as the splitting becomes small, the occupancies of the singlet and triplet states display a drastic change in the vicinity of the transition point. The origin of these findings is discussed in view of the features of valence fluctuation from the local many-body singlet state.
NASA Astrophysics Data System (ADS)
Maslova, N. S.; Mantsevich, V. N.; Arseyev, P. I.
2017-02-01
We perform theoretical investigation of the localized state dynamics in the presence of interaction with the reservoir and Coulomb correlations. We analyze kinetic equations for electron occupation numbers with different spins taking into account high order correlation functions for the localized electrons. We reveal that in the stationary state electron occupation numbers with the opposite spins always have the same value - the stationary state is a "paramagnetic" one. "Magnetic" properties can appear only in the non-stationary characteristics of the single-impurity Anderson model and in the dynamics of the localized electrons second order correlation functions. We found, that for deep energy levels and strong Coulomb correlations, relaxation time for initial "magnetic" state can be several orders larger than for "paramagnetic" one. So, long-living "magnetic" moment can exist in the system. We also found non-stationary spin polarized currents flowing in opposite directions for the different spins in the particular time interval.
Kawamura, Hikaru; Arimori, Takuya
2002-02-18
Ordering of the geometrically frustrated two-dimensional Heisenberg antiferromagnet on a pyrochlore slab is studied by Monte Carlo simulations. In contrast to the kagomé Heisenberg antiferromagnet, the model exhibits locally noncoplanar spin structures at low temperatures, bearing nontrivial chiral degrees of freedom. Under certain conditions, the model exhibits a novel Kosterlitz-Thouless-type transition at a finite temperature associated with these chiral degrees of freedom.
NASA Astrophysics Data System (ADS)
Fairushin, I. I.; Dautov, I. G.; Kashapov, N. F.; Shamsutdinov, A. R.
2017-01-01
Self-consistent spatial distributions of the electron density in the entire volume of condensed-matter particles and the surrounding plasma, as well as distributions of the concentration of ions of easily ionized impurity atoms, are obtained using the jellium model to describe particles. It is established that electron emission from condensed particles in a thermal dusty plasma containing an impurity of an easily ionized element may weaken with an increase in temperature. The electron emission from particles is shown to increase with a decrease in their radius at a constant temperature. A plasma region with violated ionization equilibrium is found to form near the surface of condensed particles.
Conjugacy classes in discrete Heisenberg groups
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.
Integrability of Nonholonomic Heisenberg Type Systems
NASA Astrophysics Data System (ADS)
Grigoryev, Yury A.; Sozonov, Alexey P.; Tsiganov, Andrey V.
2016-11-01
We show that some modern geometric methods of Hamiltonian dynamics can be directly applied to the nonholonomic Heisenberg type systems. As an example we present characteristic Killing tensors, compatible Poisson brackets, Lax matrices and classical r-matrices for the conformally Hamiltonian vector fields obtained in a process of reduction of Hamiltonian vector fields by a nonholonomic constraint associated with the Heisenberg system.
Holes in Heisenberg antiferromagnets
NASA Astrophysics Data System (ADS)
Chen, Yang
1990-05-01
In this Brief Report we show that a recent model proposed by Shankar [Phys. Rev. Lett. 63, 203 (1989)], describing the motion of holes in quantum antiferromagnets is equivalent to the Schwinger model [Phys. Rev. 128, 2425 (1962)] in 1+1 dimensions. Some exact results are deduced. In addition to the superconducting long-range order found by Shankar, it is shown that there is a 2pF hole density wave existing with the superconducting pairing instability.
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.
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.
Impurity-induced divertor plasma oscillations
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 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. As a result, the implications of the impurity-induced plasma oscillations for divertor operation in the next generation tokamaks are also discussed.
Impurity-induced divertor plasma oscillations
Smirnov, R. D. Krasheninnikov, S. I.; Pigarov, A. Yu.; Kukushkin, A. S.; Rognlien, T. D.
2016-01-15
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.
Impurity-induced divertor plasma oscillations
Smirnov, R. D.; Kukushkin, A. S.; Krasheninnikov, S. I.; ...
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
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.
Evidence for a bicritical point in the XXZ Heisenberg antiferromagnet on a simple cubic lattice.
Selke, Walter
2011-04-01
The classical Heisenberg antiferromagnet with uniaxial exchange anisotropy (XXZ model) in a field on a simple cubic lattice is studied with the help of extensive Monte Carlo simulations. We analyze, in particular, various staggered susceptibilities and Binder cumulants and present clear evidence for the triple point of the antiferromagnetic, spin-flop, and paramagnetic phases being a bicritical point with Heisenberg symmetry. Results are compared to previous predictions applying various theoretical approaches.
NASA Astrophysics Data System (ADS)
Murtazaev, A. K.; Babaev, A. B.; Aznaurova, G. Ya.
2008-04-01
The influence of quenched nonmagnetic impurities on phase transitions in the three-dimensional Potts model with the number of spin states q = 3 is investigated using the Wolff single-cluster algorithm of the Monte Carlo method. The systems with linear sizes L = 20-44 at the spin concentrations p = 1.0, 0.9, 0.8, and 0.7 are analyzed. It is demonstrated with the use of the method of fourth-order Binder cumulants that the second-order phase transition occurs in the model under consideration at the spin concentrations p = 0.9, 0.8, and 0.7 and that the first-order phase transition is observed in the pure model ( p = 1.0). The static critical exponents α (heat capacity), γ (susceptibility), β (magnetization), and ν (correlation length) are calculated in the framework of the finite-size scaling theory. The problem regarding the universality classes of the critical behavior of weakly diluted systems is discussed.
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.
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
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.
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.
NASA Astrophysics Data System (ADS)
Barle, Stanko
In this dissertation, two dynamical systems with many degrees of freedom are analyzed. One is the system of highly correlated electrons in the two-impurity Kondo problem. The other deals with building a realistic model of diffusion underlying financial markets. The simplest mean-field theory capable of mimicking the non-Fermi liquid behavior of the critical point in the two-impurity Kondo problem is presented. In this approach Landau's adiabaticity assumption--of a one-to-one correspondence between the low-energy excitations of the interacting and noninteracting systems--is violated through the presence of decoupled local degrees of freedom. These do not couple directly to external fields but appear indirectly in the physical properties leading, for example, to the log(T, omega) behavior of the staggered magnetic susceptibility. Also, as observed previously, the correlation function <{bf S}_1 cdot{bf S}_2> = -1/4 is a consequence of the equal weights of the singlet and triplet impurity configurations at the critical point. In the second problem, a numerical model is developed to describe the diffusion of prices in the market. Implied binomial (or multinomial) trees are constructed to enable practical pricing of derivative securities in consistency with the existing market. The method developed here is capable of accounting for both the strike price and term structure of the implied volatility. It includes the correct treatment of interest rate and dividends which proves robust even if these quantities are unusually large. The method is explained both as a set of individual innovations and, from a different prospective, as a consequence of a single plausible transformation from the tree of spot prices to the tree of futures prices.
Spin dynamics simulations for a nanoscale Heisenberg antiferromagnet
NASA Astrophysics Data System (ADS)
Hou, Zhuofei; Landau, D. P.; Brown, G.; Stocks, G. M.
2010-03-01
Thermoinduced magnetization(TiM) is a novel response which was predicted to occur in nanoscale antiferromagnetic materials. Extensive Monte Carlo simulations footnotetextG. Brown, A. Janotti, M. Eisenbach, and G. M. Stocks, Phys.Rev.B 72, 140405(2005) have shown that TiM is an intrinsic property of the antiferromagnetic classical Heisenberg model below the Neel temperature. To obtain a fundamental understanding of TiM, spin dynamics(SD) simulations are performed to study the spin wave behavior, which seems to be the cause of TiM. A classical Heisenberg model with an antiferromagnetic nearest-neighbor exchange interaction and uniaxial single-site anisotropy is studied. Simple-cubic lattices with free boundary conditions are used. We employed the fast spin dynamics algorithms with fourth-order Suzuki-Trotter decompositions of the exponential operator. Additional small excitation peaks due to surface effects are found in transverse S(q,w).
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.
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.
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...
Heisenberg picture approach to the stability of quantum Markov systems
NASA Astrophysics Data System (ADS)
Pan, Yu; Amini, Hadis; Miao, Zibo; Gough, John; Ugrinovskii, Valery; James, Matthew R.
2014-06-01
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.
Space Group Symmetry Fractionalization in a Chiral Kagome Heisenberg Antiferromagnet.
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.
Heisenberg picture approach to the stability of quantum Markov systems
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.
Adiabatic limits on Riemannian Heisenberg manifolds
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.
Spin pseudogap in the S =1/2 chain material Sr2CuO3 with impurities
NASA Astrophysics Data System (ADS)
Simutis, G.; Gvasaliya, S.; Beesetty, N. S.; Yoshida, T.; Robert, J.; Petit, S.; Kolesnikov, A. I.; Stone, M. B.; Bourdarot, F.; Walker, H. C.; Adroja, D. T.; Sobolev, O.; Hess, C.; Masuda, T.; Revcolevschi, A.; Büchner, B.; Zheludev, A.
2017-02-01
The low-energy magnetic excitation spectrum of the Heisenberg antiferromagnetic S =1 /2 chain system Sr2CuO3 with Ni and Ca impurities is studied by neutron spectroscopy. In all cases, a defect-induced spectral pseudogap is observed and shown to scale proportionately to the number of scattering centers in the spin chains.
Scaling beyond CMOS: Turing-Heisenberg Rapprochement
NASA Astrophysics Data System (ADS)
Zhirnov, Victor V.; Cavin, Ralph K., III
2010-09-01
The primary objective of this study is to explore the connection of the device physics in the Boltzmann-Heisenberg limits and the parameters of the digital circuits implemented from these devices. We offer an abstraction of a Minimal Turing Machine built from the limiting devices and circuits, thus Turing-Heisenberg Rapprochement. The analysis suggests a possible limit to computational performance similar to the Carnot efficiency limit for heat engines.
Complexity of Quantum Impurity Problems
NASA Astrophysics Data System (ADS)
Bravyi, Sergey; Gosset, David
2017-08-01
We give a quasi-polynomial time classical algorithm for estimating the ground state energy and for computing low energy states of quantum impurity models. Such models describe a bath of free fermions coupled to a small interacting subsystem called an impurity. The full system consists of n fermionic modes and has a Hamiltonian {H=H_0+H_{imp}} , where H 0 is quadratic in creation-annihilation operators and H imp is an arbitrary Hamiltonian acting on a subset of O(1) modes. We show that the ground energy of H can be approximated with an additive error {2^{-b}} in time {n^3 \\exp{[O(b^3)]}} . Our algorithm also finds a low energy state that achieves this approximation. The low energy state is represented as a superposition of {\\exp{[O(b^3)]}} fermionic Gaussian states. To arrive at this result we prove several theorems concerning exact ground states of impurity models. In particular, we show that eigenvalues of the ground state covariance matrix decay exponentially with the exponent depending very mildly on the spectral gap of H 0. A key ingredient of our proof is Zolotarev's rational approximation to the {√{x}} function. We anticipate that our algorithms may be used in hybrid quantum-classical simulations of strongly correlated materials based on dynamical mean field theory. We implemented a simplified practical version of our algorithm and benchmarked it using the single impurity Anderson model.
Incorporation of impurity to a tetragonal lysozyme crystal
NASA Astrophysics Data System (ADS)
Kurihara, Kazuo; Miyashita, Satoru; Sazaki, Gen; Nakada, Toshitaka; Durbin, Stephen D.; Komatsu, Hiroshi; Ohba, Tetsuhiko; Ohki, Kazuo
1999-01-01
Concentration of a phosphor-labeled impurity (ovalbumin) incorporated into protein (hen egg white lysozyme) crystals during growth was measured by fluorescence.This technique enabled us to measure the local impurity concentration in a crystal quantitatively. Impurity concentration increased with growth rate, which could not be explained by two conventional models (equilibrium adsorption model and Burton-Prim-Slichter model); a modified model is proposed. Impurity concentration also increased with the pH of the solution. This result is discussed considering the electrostatic interaction between the impurity and the crystallizing species.
Haile, Lydia A; Puig, Montserrat; Polumuri, Swamy K; Ascher, Jill; Verthelyi, Daniela
2017-03-01
Unwanted immune responses to therapeutic proteins can severely impact their safety and efficacy. Studies show that the presence of trace amounts of host cells and process-related impurities that stimulate pattern recognition receptors (PRR) can cause local inflammation and enhance product immunogenicity. Here we used purified PRR agonists as model impurities to assess the minimal level of individual innate immune response modulating impurities (IIRMIs) that could activate a local immune response. We show that levels of endotoxin as low as 10 pg (0.01 EU), 1 ng for polyinosinic:polycytidylic acid (PolyI:C), 100 ng for synthetic diacylated liopprotein, thiazoloquinolone compound, or muramyl dipeptide, 1 μg for flagellin or β-glucan, or 5 μg for CpG-oligodeoxynucleotide increased expression of genes linked to innate immune activation and inflammatory processes in the skin of rhesus macaques. Furthermore, spiking studies using rasburicase as a model therapeutic showed that the levels of PRR agonists that induced detectable gene upregulation in the skin were associated with increased immunogenicity for rasburicase. This study underscores the need for testing multiple IIRMIs in biologics, strengthening the connection between the local mRNA induction in skin, innate immune activation, and antibody development in primates, and provides an indication of the levels of IIRMI in therapeutic products that could impact product immunogenicity.
Lin, Kaili; Yuan, Wei; Wang, Lu; Lu, Jianxi; Chen, Lei; Wang, Zhen; Chang, Jiang
2011-11-01
Implantation of synthetic materials into body elicits inflammatory host responses that limit medical device integration and biological performance. Since the effective use of biomaterials in vivo requires good biocompatibility and bio-functionality, it is vital that we assess the inflammatory reactions provoked by various implanted biomaterials. In chemical precipitation of β-tricalcium phosphate [β-Ca₃(PO₄)₂, β-TCP], the impurity of calcium pyrophosphate (Ca₂P₂O₇, CPP) will easily appear if the preparation conditions are not well controlled. To test the influences of CCP-impurity on the biocompatibility of the material, four groups of β-TCP ceramic samples doped with 0.5-10 wt % of CCP impurity, and pure β-TCP and CCP samples were fabricated and implanted in rat subcutaneous site for one, two, and four weeks. The host tissue responses to the ceramics were evaluated by histomorphometric analysis, and the results were compared with pure β-TCPbioceramics. The results show that the CPP impurity can elicit and stimulate the inflammatory responses at the tissue/implant interface. Moreover, with the increase of CPP doping amount, the inflammation increases apparently. However, the pure β-TCP bioceramics only present slight post-implantation inflammatory responses. The influence of the CPP doping on the inflammatory responses is mainly related to a microparticles release because of an insufficient sintering of β-TCP by CPP doping. The microparticle release could be at the origin of local inflammation and cell/tissue damages. Therefore, to obtain perfect biocompatibility and high quality β-TCP bioceramics, it is important to avoid and control the CPP impurity in the preparation of β-TCP powders and bioceramics. 2011 Wiley Periodicals, Inc.
Open timelike curves violate Heisenberg's uncertainty principle.
Pienaar, J L; Ralph, T C; Myers, C R
2013-02-08
Toy models for quantum evolution in the presence of closed timelike curves have gained attention in the recent literature due to the strange effects they predict. The circuits that give rise to these effects appear quite abstract and contrived, as they require nontrivial interactions between the future and past that lead to infinitely recursive equations. We consider the special case in which there is no interaction inside the closed timelike curve, referred to as an open timelike curve (OTC), for which the only local effect is to increase the time elapsed by a clock carried by the system. Remarkably, circuits with access to OTCs are shown to violate Heisenberg's uncertainty principle, allowing perfect state discrimination and perfect cloning of coherent states. The model is extended to wave packets and smoothly recovers standard quantum mechanics in an appropriate physical limit. The analogy with general relativistic time dilation suggests that OTCs provide a novel alternative to existing proposals for the behavior of quantum systems under gravity.
Effective low-energy description of almost Ising-Heisenberg diamond chain
NASA Astrophysics Data System (ADS)
Derzhko, Oleg; Krupnitska, Olesia; Lisnyi, Bohdan; Strečka, Jozef
2015-11-01
We consider a geometrically frustrated spin-(1/2) Ising-Heisenberg diamond chain, which is an exactly solvable model when assuming part of the exchange interactions as Heisenberg ones and another part as Ising ones. A small XY part is afterwards perturbatively added to the Ising couplings, which enabled us to derive an effective Hamiltonian describing the low-energy behavior of the modified but full quantum version of the initial model. The effective model is much simpler and free of frustration. It is shown that the XY part added to the originally Ising interaction gives rise to the spin-liquid phase with continuously varying magnetization, which emerges between the magnetization plateaus and is totally absent in the initial hybrid diamond-chain model. The elaborated approach can also be applied to other hybrid Ising-Heisenberg spin systems.
NASA Astrophysics Data System (ADS)
Damiri, H.; Askari, H. R.
2017-01-01
In this paper, the effect of impurities on the phenomenon of electromagnetically induced transparency in a spherical quantum dot with parabolic potential is examined. It is assumed that spherical quantum dot has configuration four levels model M. First, consider the polarization Z for light; rotating wave approximation approach, rotating coordinate system, as well as the density matrix approach, we examine the phenomenon of electromagnetically induced transparency in spherical quantum dot. Finally, with regard to impurities of the disorder, we review electromagnetically induced transparency and Changes resulting from the presence of impurities.
Studies of magnetocaloric effect on spin-1/2 J{sub 1}-J{sub 2} Heisenberg hexagons
Deb, Moumita Ghosh, Asim Kumar
2016-05-06
Magnetocaloric effect of four different spin-1/2 J{sub 1}-J{sub 2} Heisenberg hexagons has been studied in terms of adiabatic demagnetization. Four hexagons with different combinations of antiferromagnetic and ferromagnetic Heisenberg exchange interactions are considered. Level of frustration on those models is different. Studies on the magnetization process, nature of isentrops and properties of magnetocaloric effect have been carried out. Comparison of results on those models has been discussed.
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.
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
Aspects of universally valid Heisenberg uncertainty relation
NASA Astrophysics Data System (ADS)
Fujikawa, Kazuo; Umetsu, Koichiro
2013-01-01
A numerical illustration of a universally valid Heisenberg uncertainty relation, which was proposed recently, is presented by using the experimental data on spin-measurements by J. Erhart et al. [Nat. Phys. 8, 185 (2012)]. This uncertainty relation is closely related to a modified form of the Arthurs-Kelly uncertainty relation, which is also tested by the spin-measurements. The universally valid Heisenberg uncertainty relation always holds, but both the modified Arthurs-Kelly uncertainty relation and the Heisenberg error-disturbance relation proposed by Ozawa, which was analyzed in the original experiment, fail in the present context of spin-measurements, and the cause of their failure is identified with the assumptions of unbiased measurement and disturbance. It is also shown that all the universally valid uncertainty relations are derived from Robertson's relation and thus the essence of the uncertainty relation is exhausted by Robertson's relation, as is widely accepted.
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
Experimental violation and reformulation of the Heisenberg's error-disturbance uncertainty relation.
Baek, So-Young; Kaneda, Fumihiro; Ozawa, Masanao; Edamatsu, Keiichi
2013-01-01
The uncertainty principle formulated by Heisenberg in 1927 describes a trade-off between the error of a measurement of one observable and the disturbance caused on another complementary observable such that their product should be no less than the limit set by Planck's constant. However, Ozawa in 1988 showed a model of position measurement that breaks Heisenberg's relation and in 2003 revealed an alternative relation for error and disturbance to be proven universally valid. Here, we report an experimental test of Ozawa's relation for a single-photon polarization qubit, exploiting a more general class of quantum measurements than the class of projective measurements. The test is carried out by linear optical devices and realizes an indirect measurement model that breaks Heisenberg's relation throughout the range of our experimental parameter and yet validates Ozawa's relation.
Experimental violation and reformulation of the Heisenberg's error-disturbance uncertainty relation
NASA Astrophysics Data System (ADS)
Baek, So-Young; Kaneda, Fumihiro; Ozawa, Masanao; Edamatsu, Keiichi
2013-07-01
The uncertainty principle formulated by Heisenberg in 1927 describes a trade-off between the error of a measurement of one observable and the disturbance caused on another complementary observable such that their product should be no less than the limit set by Planck's constant. However, Ozawa in 1988 showed a model of position measurement that breaks Heisenberg's relation and in 2003 revealed an alternative relation for error and disturbance to be proven universally valid. Here, we report an experimental test of Ozawa's relation for a single-photon polarization qubit, exploiting a more general class of quantum measurements than the class of projective measurements. The test is carried out by linear optical devices and realizes an indirect measurement model that breaks Heisenberg's relation throughout the range of our experimental parameter and yet validates Ozawa's relation.
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.
Influence of impurity atmosphere on the deformation of silicon crystals
NASA Astrophysics Data System (ADS)
Klyuchnik, P. A.; Petukhov, B. V.
2017-07-01
The Alexander-Haasen theory, which describes the deformation kinetics of silicon crystals, has been generalized for impurity crystals. The deformation kinetics of an impurity sample is calculated in a wide range of parameters, including the cases of partial and complete entrainment of impurities by moving dislocations. The developed model, despite its simplicity, adequately describes the qualitative transformation of the stress-strain curves of impurity silicon crystals in dependence of the impurity concentration and other material parameters. The manifestation of negative velocity dependence of the yield stress, observed in natural experiments, is analyzed.
Impurity solvation in a liquid
NASA Astrophysics Data System (ADS)
Tehver, Riina; Cole, Milton W.; Maritan, Amos; Koplik, Joel; Banavar, Jayanth R.
1998-02-01
A set of model calculations is presented concerning the problem of impurity solvation. The methods include lattice gas, evaluated exactly as well as in the mean-field approximation, and molecular-dynamics simulation. Our results are in quantitative accord with simple energy balance arguments, but a solvation parameter suggested by Ancilotto, Lerner and Cole [J. Low Temp. Phys. 101, 1123 (1995)] is found to be nonuniversal.
NASA Astrophysics Data System (ADS)
Agarwalla, Bijay Kumar; Segal, Dvira
2017-08-01
We study the interacting, symmetrically coupled single impurity Anderson model. By employing the nonequilibrium Green's function formalism, we reach an exact relationship between the steady-state charge current flowing through the impurity (dot) and its occupation. We argue that the steady-state current-occupation relation can be used to assess the consistency of simulation techniques and identify spurious transport phenomena. We test this relation in two different model variants: First, we study the Anderson-Holstein model in the strong electron-vibration coupling limit using the polaronic quantum master equation method. We find that the current-occupation relation is violated numerically in standard calculations, with simulations bringing up incorrect transport effects. Using a numerical procedure, we resolve the problem efficiently. Second, we simulate the Anderson model with electron-electron interaction on the dot using a deterministic numerically exact time-evolution scheme. Here, we observe that the current-occupation relation is satisfied in the steady-state limit—even before results converge to the exact limit.
Agarwalla, Bijay Kumar; Segal, Dvira
2017-08-07
We study the interacting, symmetrically coupled single impurity Anderson model. By employing the nonequilibrium Green's function formalism, we reach an exact relationship between the steady-state charge current flowing through the impurity (dot) and its occupation. We argue that the steady-state current-occupation relation can be used to assess the consistency of simulation techniques and identify spurious transport phenomena. We test this relation in two different model variants: First, we study the Anderson-Holstein model in the strong electron-vibration coupling limit using the polaronic quantum master equation method. We find that the current-occupation relation is violated numerically in standard calculations, with simulations bringing up incorrect transport effects. Using a numerical procedure, we resolve the problem efficiently. Second, we simulate the Anderson model with electron-electron interaction on the dot using a deterministic numerically exact time-evolution scheme. Here, we observe that the current-occupation relation is satisfied in the steady-state limit-even before results converge to the exact limit.
Pacella; Fournier; Zerbini; Finkenthal; Mattioli; May; Goldstein
2000-05-01
This work presents and interprets, by means of detailed atomic calculations, observations of L-shell (n = 3-->n = 2) transitions in highly ionized molybdenum, the main intrinsic heavy impurity in the Frascati tokamak upgrade plasmas. These hot plasmas were obtained by additional electron cyclotron resonance heating (ECRH), at the frequency of 140 Ghz, during the current ramp-up phase of the discharge. Injecting 400 kW on axis and 800 kW slightly off axis, the peak central electron temperature reached 8.0 and 7.0 keV, respectively, for a time much longer than the ionization equilibrium time of the molybdenum ions. X-ray emissions from rarely observed high charge states, Mo30+ to Mo39+, have been studied with moderate spectral resolution (lambda/delta lambda approximately 150) and a time resolution of 5 ms. A sophisticated collisional-radiative model for the study of molybdenum ions in plasmas with electron temperature in the range 4-20 keV is presented. The sensitivity of the x-ray emission to the temperature and to impurity transport processes is discussed. This model has been then used to investigate two different plasma scenarios. In the first regime the ECRH heating occurs on axis during the current ramp up phase, when the magnetic shear is evolving from negative to zero up to the half radius. The spectrum is well reproduced with the molybdenum ions in coronal equilibrium and with a central impurity peaking. In the second regime, at the beginning of the current flat top when magnetic shear is monotonic and sawtoothing activity is appearing, the lowest charge states (Mo33+ to Mo30+), populated off axis, are affected by anomalous transport and the total molybdenum profile is found to be flat up to the half radius. We conclude with the presentation of "synthetic spectra" computed for even higher temperature plasmas that are expected in future experiments with higher ECRH power input.
2007-03-31
coat alloy or the superalloy . We then report characterization of impurities (S) and dopants (Hf and Pt) known to be present at the surface of the NiAl...a nonstoichiometric NiAl alloy containing either -5 at% Pt in the platinum aluminide bond coats or Cr and Y in the NiCrAlY bond coat family, with...from the manufacture of the Ni superalloy jet engine components. It is thought that S segregates to the bond coat alloy/TGO interface. Thus all three
Excitations in a four-leg antiferromagnetic Heisenberg spin tube
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.
Excitations in a Four-Leg Antiferromagnetic Heisenberg Spin Tube,
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.
Excitations in a four-leg antiferromagnetic Heisenberg spin tube.
Garlea, V O; Zheludev, A; Regnault, L-P; Chung, J-H; Qiu, Y; Boehm, M; Habicht, K; Meissner, M
2008-01-25
Inelastic neutron scattering is used to investigate magnetic excitations in the quasi-one-dimensional quantum spin-liquid system Cu(2)Cl(4).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.
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.?
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.
Spin-Ice State of the Quantum Heisenberg Antiferromagnet on the Pyrochlore Lattice.
Huang, Yuan; Chen, Kun; Deng, Youjin; Prokof'ev, Nikolay; Svistunov, Boris
2016-04-29
We study the low-temperature physics of the SU(2)-symmetric spin-1/2 Heisenberg antiferromagnet on a pyrochlore lattice and find "fingerprint" evidence for the thermal spin-ice state in this frustrated quantum magnet. Our conclusions are based on the results of bold diagrammatic Monte Carlo simulations, with good convergence of the skeleton series down to the temperature T/J=1/6. The identification of the spin-ice state is done through a remarkably accurate microscopic correspondence for the static structure factor between the quantum Heisenberg, classical Heisenberg, and Ising models at all accessible temperatures, and the characteristic bowtie pattern with pinch points observed at T/J=1/6. The dynamic structure factor at real frequencies (obtained by the analytic continuation of numerical data) is consistent with diffusive spinon dynamics at the pinch points.
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.
Quantum critical points in quantum impurity systems
NASA Astrophysics Data System (ADS)
Lee, Hyun Jung; Bulla, Ralf
2005-04-01
The numerical renormalization group method is used to investigate zero-temperature phase transitions in quantum impurity systems, in particular in the soft-gap Anderson model, where an impurity couples to a non-trivial fermionic bath. In this case, zero-temperature phase transitions occur between two different phases whose fixed points can be built up of non-interacting single-particle states. However, the quantum critical point cannot be described by non-interacting fermionic or bosonic excitations.
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)
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?
Integrable hierarchies of Heisenberg ferromagnet equation
NASA Astrophysics Data System (ADS)
Nugmanova, G.; Azimkhanova, A.
2016-08-01
In this paper we consider the coupled Kadomtsev-Petviashvili system. From compatibility conditions we obtain the form of matrix operators. After using a gauge transformation, obtained a new type of Lax representation for the hierarchy of Heisenberg ferromagnet equation, which is equivalent to the gauge coupled Kadomtsev-Petviashvili system.
NASA Astrophysics Data System (ADS)
Catana, Catalin; GuÅ£ǎ, Mǎdǎlin
2014-07-01
Finding optimal and noise robust probe states is a key problem in quantum metrology. In this paper we propose Markov dynamics as a possible mechanism for generating such states, and show how the Heisenberg scaling emerges for systems with multiple "dynamical phases" (stationary states), and noiseless channels. We model noisy channels by coupling the Markov output to "environment" ancillas, and consider the scenario where the environment is monitored to increase the quantum Fisher information of the output. In this setup we find that the survival of the Heisenberg limit depends on whether the environment receives "which phase" information about the memory system.
Spinon decay in the spin-1/2 Heisenberg chain with weak next nearest neighbour exchange
NASA Astrophysics Data System (ADS)
Groha, Stefan; Essler, Fabian H. L.
2017-08-01
Integrable models support elementary excitations with infinite lifetimes. In the spin-1/2 Heisenberg chain these are known as spinons. We consider the stability of spinons when a weak integrability breaking perturbation is added to the Heisenberg chain in a magnetic field. We focus on the case where the perturbation is a next nearest neighbour exchange interaction. We calculate the spinon decay rate in leading order in perturbation theory using methods of integrability and identify the dominant decay channels. The decay rate is found to be small, which indicates that spinons remain well-defined excitations even though integrability is broken.
NASA Astrophysics Data System (ADS)
Cai, W. P.; Yan, Z. R.; Liu, R. M.; Qin, M. H.; Zeng, M.; Lu, X. B.; Gao, X. S.; Liu, J.-M.
2017-10-01
Based on the modified Heisenberg–Kitaev model, the effects of magnetic substitution on the magnetic properties of the honeycomb-lattice iridate Na2 IrO3 are studied using Monte Carlo simulations. It is observed that the long-range zigzag state of the original system is rather fragile and can be replaced by a spin-glass state even for small substitution, well consistent with the experimental observation in Ru-substituted samples (Mehlawat et al 2015 Phys. Rev. B 92 134412). Both the disordered Heisenberg and Kitaev interactions caused by the magnetic ion-doping are suggested to be responsible for the magnetic phase transitions in the system. More interestingly, a short-range zigzag order is suggested to survive above the freezing temperature even at high magnetic impurity doping levels.
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.
Influence of magnetic shear on impurity transport
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)].
Transport of Aluminum impurities in Helium Plasma
NASA Astrophysics Data System (ADS)
Hajjar, Rima; Hollmann, Eric; Krasheninnikov, Sergei; Doerner, Russell
2013-10-01
Impurity radiation losses at the edge of fusion devices are crucial for establishing detached divertor regimes in ITER and future tokamak reactors, despite the problem they cause in reducing plasma efficiency. Complex parallel and cross-field impurity transport suggest a rather fluid description when treating edge dynamics, leading somehow to marginal simulation results of the impurity transport problem. A kinetic description accounting for impurity/plasma collisions should be used instead, generating more details on the collision dynamics, while the relatively high mass difference between colliding particles leads to major simplifications in the physics of the problem. Modeling of Aluminum injection and entrainment into steady-state Helium plasma is presented. Multiple ionization and radial losses are included and numerical results are then compared to experimental data obtained from PISCES machine. Work was supported in part by the DOE Grant DE-FG02-04ER54739 at UCSD.
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
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, 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.
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.
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.
Impurity gettering in semiconductors
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.
Impurity gettering in semiconductors
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.
NASA Astrophysics Data System (ADS)
Kuldkepp, M.; Brunsell, P. R.; Cecconello, M.; Dux, R.; Menmuir, S.; Rachlew, E.
2006-09-01
Radial impurity profiles of oxygen in the rebuilt reversed field pinch EXTRAP T2R [P. R. Brunsell et al., Plasma Phys. Control. Fusion 43, 1457 (2001)] have been measured with a multichannel spectrometer. Absolute ion densities for oxygen peak between 1-4×1010cm-3 for a central electron density of 1×1013cm-3. Transport simulations with the one-dimensional transport code STRAHL with a diffusion coefficient of 20m2 s-1 yield density profiles similar to those measured. Direct measurement of the ion profile evolution during pulsed poloidal current drive suggests that the diffusion coefficient is reduced by a factor ˜2 in the core but remains unaffected toward the edge. Core transport is not significantly affected by the radial magnetic field growth seen at the edge in discharges without feedback control. This indicates that the mode core amplitude remains the same while the mode eigenfunction increases at the edge.
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.
Mizera, Mikołaj; Krause, Anna; Zalewski, Przemysław; Skibiński, Robert; Cielecka-Piontek, Judyta
2017-03-01
Mathematical modeling of Quantitative Structure - Property Relationships met great interest in fields of in silico drug design and more recently, pharmaceutical analysis. In our approach we proposed automated method of creation Quantitative Structure-Retention Relationship (QSRR) for analysis of triptans, selective serotonin 5-HT1 receptor agonists used for the treatment of acute headache. The method was created using hybrid machine learning approach, namely Genetic algorithm (GA) coupled with artificial neutral networks (ANN). Performance of proposed hybrid GA-ANN model was evaluated with predicting relative retention times of naratriptan hydrochloride impurities. Several ANN types were coupled with GA and tested: single-layer ANN (SL-ANN), double-layer ANN (D-ANN) and higher order architectures: pi-sigma ANN (PS-ANN) and sigma-pi-sigma ANN (SPS-ANN). Partial Least Squares (PLS) method was used as a reference. The separation of naratriptan hydrochloride and its related products (impurities and degradation products) was obtained by developing a gradient high-performance liquid chromatography method with diode-array detector (HPLC-DAD). Degradation products during acid-basic hydrolysis were identified with an electrospray ionization tandem mass spectrometry (Q-TOF-MS/MS) detector. Independent data for outer validation of QSRR model was obtained from the determination of related products of sumatriptan succinate via an HPLC-DAD method. Accuracy of QSRR was measured by inner-validation on naratriptan data and outer validation on sumatriptan succinate samples. The best performing model were PS-ANN and SPS-ANN with mean errors of 8% (Q2=0.87) and 15% (Q2=0.77) on an inner-validation data set, respectively. Validation on similar samples from an outer validation data set of sumatriptan succinate impurities gave mean errors of 18% (R(2)pred=0.64) and 17% (R(2)pred=0.63) for the PS-ANN and SPS-ANN models, respectively. Copyright © 2016 Elsevier B.V. All rights reserved.
Theoretical explanation for strong poloidal impurity asymmetry in tokamak pedestals
NASA Astrophysics Data System (ADS)
Espinosa, Silvia
2016-10-01
Stronger impurity density in-out poloidal asymmetries than predicted by the most comprehensive neoclassical models have been measured in H-mode tokamak pedestals during the last decade. However, these pioneering theories neglect the impurity diamagnetic drift, while recent measurements indicate that it can be of the same order as the ExB drift that is retained. In order to keep both drifts self-consistently, stronger radial gradients of the impurity density must be allowed. As a result, radial impurity flow effects need to be included for the first time. These effects substantially alter the parallel impurity flow. The resulting modification in the impurity friction with the banana regime background ions then allows stronger poloidal variation of the impurity density, temperature and potential. Even the six-fold high field side accumulation of boron density measured on Alcator C-Mod can be explained without invoking anomalous transport. Moreover, the potential can no longer be assumed to be a flux function since the impurity density variation gives a poloidally varying potential that results in strong poloidal variation of the radial electric field. The fact that the magnitude of the negative radial electric field and the impurity temperature are both larger on the low field side is also correctly predicted. Finally, this pedestal neoclassical model with radial flows may provide insight on how to control impurity accumulation in JET. Supported by DOE Grant DE-FG0291ER54109 and La Caixa Fellowship.
NASA Astrophysics Data System (ADS)
Zagórski, R.; Voitsekhovitch, I.; Ivanova-Stanik, I.; Köchl, F.; Belo, P.; Fable, E.; Garcia, J.; Garzotti, L.; Hobirk, J.; Hogeweij, G. M. D.; Joffrin, E.; Litaudon, X.; Polevoi, A. R.; Telesca, G.; contributors, JET
2015-05-01
The compatibility of two operational constraints—operation above the L-H power threshold and at low power to divertor—is examined for ITER long pulse H-mode and hybrid scenarios in integrated core-scrape off layer (SOL)-divertor modelling including impurities (intrinsic Be, He, W and seeded Ne). The core thermal, particle and momentum transport is simulated with the GLF23 transport model tested in the self-consistent simulations of temperatures, density and toroidal rotation velocity in JET hybrid discharges and extrapolated to ITER. The beneficial effect of toroidal rotation velocity on fusion gain is shown. The sensitivity studies with respect to operational (separatrix and pedestal density, Ne gas puff) and unknown physics (W convective velocity and perpendicular diffusion in SOL as well as W prompt re-deposition) parameters are performed to determine their influence on the operational window and fusion gain.
Watson-Crick pairing, the Heisenberg group and Milnor invariants.
Gadgil, Siddhartha
2009-07-01
We study the secondary structure of RNA determined by Watson-Crick pairing without pseudo-knots using Milnor invariants of links. We focus on the first non-trivial invariant, which we call the Heisenberg invariant. The Heisenberg invariant, which is an integer, can be interpreted in terms of the Heisenberg group as well as in terms of lattice paths. We show that the Heisenberg invariant gives a lower bound on the number of unpaired bases in an RNA secondary structure. We also show that the Heisenberg invariant can predict allosteric structures for RNA. Namely, if the Heisenberg invariant is large, then there are widely separated local maxima (i.e., allosteric structures) for the number of Watson-Crick pairs found.
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.
Unifying decoherence and the Heisenberg Principle
NASA Astrophysics Data System (ADS)
Janssens, Bas
2017-03-01
We exhibit three inequalities involving quantum measurement, all of which are sharp and state independent. The first inequality bounds the performance of joint measurement. The second quantifies the trade-off between the measurement quality and the disturbance caused on the measured system. Finally, the third inequality provides a sharp lower bound on the amount of decoherence in terms of the measurement quality. This gives a unified description of both the Heisenberg uncertainty principle and the collapse of the wave function.
Lie symmetry analysis of the Heisenberg equation
NASA Astrophysics Data System (ADS)
Zhao, Zhonglong; Han, Bo
2017-04-01
The Lie symmetry analysis is performed on the Heisenberg equation from the statistical physics. Its Lie point symmetries and optimal system of one-dimensional subalgebras are determined. The similarity reductions and invariant solutions are obtained. Using the multipliers, some conservation laws are obtained. We prove that this equation is nonlinearly self-adjoint. The conservation laws associated with symmetries of this equation are constructed by means of Ibragimov's method.
Fourier analysis on the Heisenberg group
Geller, Daryl
1977-01-01
We obtain a usable characterization of the (group) Fourier transform of 𝒮(Hn) (Schwartz space on the Heisenberg group). The characterization involves writing elements of [Formula: see text] as asymptotic series in Planck's constant. In the process, we derive a new “discrete” version of spherical harmonics, and elucidate the theory of group contractions. We give an application to Hardy space theory. PMID:16578749
Unifying decoherence and the Heisenberg Principle
NASA Astrophysics Data System (ADS)
Janssens, Bas
2017-08-01
We exhibit three inequalities involving quantum measurement, all of which are sharp and state independent. The first inequality bounds the performance of joint measurement. The second quantifies the trade-off between the measurement quality and the disturbance caused on the measured system. Finally, the third inequality provides a sharp lower bound on the amount of decoherence in terms of the measurement quality. This gives a unified description of both the Heisenberg uncertainty principle and the collapse of the wave function.
Strečka, Jozef; Rojas, Onofre; Verkholyak, Taras; Lyra, Marcelo L
2014-02-01
The frustrated spin-1/2 Ising-Heisenberg ladder with Heisenberg intra-rung and Ising inter-rung interactions is exactly solved in a longitudinal magnetic field by taking advantage of the local conservation of the total spin on each rung and the transfer-matrix method. We have rigorously calculated the ground-state phase diagram, magnetization process, magnetocaloric effect, and basic thermodynamic quantities for the model, which can be alternatively viewed as an Ising-Heisenberg tetrahedral chain. It is demonstrated that a stepwise magnetization curve with an intermediate plateau at half of the saturation magnetization is also reflected in respective stepwise changes of the concurrence serving as a measure of bipartite entanglement. The ground-state phase diagram and zero-temperature magnetization curves of the Ising-Heisenberg tetrahedral chain are contrasted with the analogous results of the purely quantum Heisenberg tetrahedral chain, which have been obtained through density-matrix renormalization group (DMRG) calculations. While both ground-state phase diagrams fully coincide in the regime of weak inter-rung interaction, the purely quantum Heisenberg tetrahedral chain develops Luttinger spin-liquid and Haldane phases for strongly coupled rungs, which are absent in the Ising-Heisenberg counterpart model.
Classical Heisenberg spins on a hexagonal lattice with Kitaev couplings.
Chandra, Samarth; Ramola, Kabir; Dhar, Deepak
2010-09-01
We analyze the low temperature properties of a system of classical Heisenberg spins on a hexagonal lattice with Kitaev couplings. For a lattice of 2N sites with periodic boundary conditions, the ground states form an (N+1) dimensional manifold. We show that the ensemble of ground states is equivalent to that of a solid-on-solid model with continuously variable heights and nearest neighbor interactions, at a finite temperature. For temperature T tending to zero, all ground states have equal weight, and there is no order by disorder in this model. We argue that the bond-energy bond-energy correlations at distance R decay as 1/R2 at zero temperature. This is verified by Monte Carlo simulations. We also discuss the relation to the quantum spin- S Kitaev model for large S, and obtain lower and upper bounds on the ground-state energy of the quantum model.
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
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.
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…
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…
Anderson metal-insulator transitions with classical magnetic impurities
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].
The physics of Kondo impurities in graphene.
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.
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.
NASA Astrophysics Data System (ADS)
Rojas, Onofre; Strečka, J.; de Souza, S. M.
2016-11-01
The spin-1/2 Ising-Heisenberg two-leg ladder accounting for alternating Ising and Heisenberg inter-leg couplings in addition to the Ising intra-leg coupling is rigorously mapped onto to a mixed spin-(3/2,1/2) Ising-Heisenberg diamond chain with the nodal Ising spins S = 3 / 2 and the interstitial spin-1/2 Heisenberg dimers. The latter effective model with higher-order interactions between the nodal and interstitial spins is subsequently exactly solved within the transfer-matrix method. The model under investigation exhibits five different ground states: ferromagnetic, antiferromagnetic, superantiferromagnetic and two types of frustrated ground states with a non-zero residual entropy. A detailed study of thermodynamic properties reveals an anomalous specific-heat peak at low enough temperatures, which is strongly reminiscent because of its extraordinary height and sharpness to an anomaly accompanying a phase transition. It is convincingly evidenced, however, that the anomalous peak in the specific heat is finite and it comes from vigorous thermal excitations from a two-fold degenerate ground state towards a macroscopically degenerate excited state. Thermal entanglement between the nearest-neighbor Heisenberg spins is also comprehensively explored by taking advantage of the concurrence. The threshold temperature delimiting a boundary between the entangled and disentangled parameter space may show presence of a peculiar temperature reentrance.
NASA Astrophysics Data System (ADS)
Janson, O.; Nénert, G.; Isobe, M.; Skourski, Y.; Ueda, Y.; Rosner, H.; Tsirlin, A. A.
2014-12-01
The magnetism of magnetoelectric S =3/2 pyroxenes LiCrSi2O6 and LiCrGe2O6 is studied by density functional theory calculations, quantum Monte Carlo (QMC) simulations, neutron diffraction, as well as low- and high-field magnetization measurements. In contrast with earlier papers, we find that the two compounds feature remarkably different, albeit nonfrustrated magnetic models. In LiCrSi2O6 , two relevant exchange integrals, J1 ≃9 K along the structural chains and Jic1 ≃2 K between the chains, form a two-dimensional anisotropic honeycomb lattice. In contrast, the spin model of LiCrGe2O6 is constituted of three different exchange couplings. Surprisingly, the leading exchange Jic1 ≃2.3 K operates between the chains, while J1 ≃1.2 K is about two times smaller. The additional interlayer coupling Jic2 ≃ J1 renders this model three dimensional. QMC simulations reveal excellent agreement between our magnetic models and the available experimental data. Underlying mechanisms of the exchange couplings, magnetostructural correlations, as well as implications for other pyroxene systems are discussed.
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.
Spin supersolid in an anisotropic spin-one Heisenberg chain.
Sengupta, P; Batista, C D
2007-11-23
We consider an S=1 Heisenberg chain with strong exchange (Delta=J(z)/J(perpendicular)) and single-ion uniaxial anisotropy (D) in a magnetic field (B) along the symmetry axis. The low-energy spectrum is described by an effective S=1/2 XXZ model that acts on two different low-energy sectors for a finite range of fields. The vacuum of each sector exhibits Ising-like antiferromagnetic ordering coexisting with the finite spin stiffness obtained from the exact solution of the XXZ model. In this way, we demonstrate the existence of a spin supersolid phase. We also compute the full Delta-B quantum phase diagram using a quantum Monte Carlo method.
NASA Astrophysics Data System (ADS)
Liu, Bo; Xue, Kang; Wang, Gangcheng
2017-03-01
In this paper, we investigate the four-qubit spin-1/2 XXZ Heisenberg chain with Dzyaloshinskii-Moriya interaction by topological basis method, and research the relationship between the topological basis states and the ground states. In order to study the Hamiltonian system beyond XXZ model, we introduce two Temperley-Lieb algebra generators and two other generalized generators. Then we investigate the relationship between topological basis and Heisenberg XXZ model with Dzyaloshinskii-Moriya interaction. The results show that the ground state of this model falls on the topological basis state for anti-ferromagnetic case and gapless phase case.
Magnetic impurity in a Weyl semimetal
NASA Astrophysics Data System (ADS)
Sun, Jin-Hua; Xu, Dong-Hui; Zhang, Fu-Chun; Zhou, Yi
2015-11-01
We utilize the variational method to study the Kondo screening of a spin-1 /2 magnetic impurity in a three-dimensional (3D) Weyl semimetal with two Weyl nodes along the kz axis. The model reduces to a 3D Dirac semimetal when the separation of the two Weyl nodes vanishes. When the chemical potential lies at the nodal point, μ =0 , the impurity spin is screened only if the coupling between the impurity and the conduction electron exceeds a critical value. For finite but small μ , the impurity spin is weakly bound due to the low density of states, which is proportional to μ2, contrary to that in a 2D Dirac metal such as graphene and 2D helical metal, where the density of states is proportional to |μ | . The spin-spin correlation function Ju v(r ) between the spin v component of the magnetic impurity at the origin and the spin u component of a conduction electron at spatial point r is found to be strongly anisotropic due to the spin-orbit coupling, and it decays in the power law. The main difference of the Kondo screening in 3D Weyl semimetals and in Dirac semimetals is in the spin x (y ) component of the correlation function in the spatial direction of the z axis.
Science 101: What, Exactly, Is the Heisenberg Uncertainty Principle?
ERIC Educational Resources Information Center
Robertson, Bill
2016-01-01
Bill Robertson is the author of the NSTA Press book series, "Stop Faking It! Finally Understanding Science So You Can Teach It." In this month's issue, Robertson describes and explains the Heisenberg Uncertainty Principle. The Heisenberg Uncertainty Principle was discussed on "The Big Bang Theory," the lead character in…
Science 101: What, Exactly, Is the Heisenberg Uncertainty Principle?
ERIC Educational Resources Information Center
Robertson, Bill
2016-01-01
Bill Robertson is the author of the NSTA Press book series, "Stop Faking It! Finally Understanding Science So You Can Teach It." In this month's issue, Robertson describes and explains the Heisenberg Uncertainty Principle. The Heisenberg Uncertainty Principle was discussed on "The Big Bang Theory," the lead character in…
Magnetic impurities in small metal clusters
NASA Astrophysics Data System (ADS)
Pastor, G. M.
2005-09-01
[Dedicated to Bernhard Mühlschlegel on the occasion of his 80th birthday]Magnetic impurities in small metallic clusters are investigated in the framework of the Anderson model by using exact diagonalization and geometry optimization methods.The singlet-triplet spin gap E shows a remarkable dependence as a function of band-filling, cluster structure, and impurity position that can be interpreted in terms of the environment-specific conduction-electron spectrum. The low-energy spin excitations involve similar energies as isomerizations. Interesting correlations between cluster structure and magnetic behavior are revealed. Finite-temperature properties such as specific heat, effective impurity moment, and magnetic susceptibility are calculated exactly in the canonical ensemble. A finite-size equivalent of the Kondo effect is identified and its structural dependence is discussed.
Magnetic resonance of two-dimensional Heisenberg antiferromagnets with nonmagnetic impurities
NASA Astrophysics Data System (ADS)
Grigereit, T. E.; Drumheller, John E.; Zaspel, C. E.
1993-05-01
The EPR linewidths of (C3H7NH3)2Mn1-xCdxCl4 have been measured in the paramagnetic region as a function of temperature. An Arrhenius behavior exp(b/T) is observed with b strongly dependent on Cd concentration. This behavior in the pure compound is characteristic of soliton-like (skyrmion) excitations with b related to the excitation energy. In the doped compound, gapless nonlinear excitations are possible, resulting in a much different temperature-dependent linewidth. It is concluded that skyrmions dominate the low-temperature thermodynamics of two-dimensional magnets.
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.
Tsallis Entropy Composition and the Heisenberg Group
NASA Astrophysics Data System (ADS)
Kalogeropoulos, Nikos
2013-03-01
We present an embedding of the Tsallis entropy into the three-dimensional Heisenberg group, in order to understand the meaning of generalized independence as encoded in the Tsallis entropy composition property. We infer that the Tsallis entropy composition induces fractal properties on the underlying Euclidean space. Using a theorem of Milnor/Wolf/Tits/Gromov, we justify why the underlying configuration/phase space of systems described by the Tsallis entropy has polynomial growth for both discrete and Riemannian cases. We provide a geometric framework that elucidates Abe's formula for the Tsallis entropy, in terms the Pansu derivative of a map between sub-Riemannian spaces.
Viet, Dao Xuan; Kawamura, Hikaru
2010-08-27
We study the issue of the spin-chirality decoupling or coupling in the ordering of the Heisenberg spin glass by performing large-scale Monte Carlo simulations on a one-dimensional Heisenberg spin-glass model with a long-range power-law interaction up to large system sizes. We find that the spin-chirality decoupling occurs for an intermediate range of the power-law exponent. Implications to the corresponding d-dimensional short-range model are discussed.
MacKeen, C; Bridges, F; Kozina, M; Mehta, A; Reid, M F; Wells, J-P R; Barandiarán, Z
2017-07-20
Yb-substituted CaF2 exhibits an anomalous red-shifted luminescence after UV excitation, attributed to the relaxation of impurity trapped excitons (ITE). CaF2:Yb is the archetype system for this model, in which the Yb(2+) ions can be excited into a long-lived (ms) exciton state. Upon de-excitation, the emission intensity should be proportional to the Yb(2+) concentration, but that could not be checked when this model was first proposed. Using the X-ray absorption near edge structure (XANES) technique, we determine the fractions of Yb(2+) and Yb(3+) for low Yb concentrations, 0.01% to 0.1%, and thus determine the net concentration of Yb(2+). A comparison with luminescence data shows that the intensity is not proportional to the Yb(2+) concentration, and only a fraction of Yb(2+) ions contributes to the anomalous luminescence. This is inconsistent with the ITE model and illustrates the importance of checking the dependence of the emission intensity on the Yb(2+) concentration.
Green's function approach of an anisotropic Heisenberg ferrimagnetic system
NASA Astrophysics Data System (ADS)
Mert, Gülistan
2013-12-01
We have investigated the influence of the exchange anisotropy parameter on the magnetization, critical and compensation temperatures and susceptibility of the anisotropic Heisenberg ferrimagnetic system with the single-ion anisotropy under an external magnetic field using the double-time temperature-dependent Green's function theory. In order to decouple the higher order Green's functions, Anderson-Callen's decoupling and random phase approximations have been used. This model is useful for understanding the temperature dependence of total magnetization of Lithium-chromium ferrites Li0.5Fe1.25Cr1.25O4 for which negative magnetization is characteristic. We observe that the critical temperature increases when the exchange anisotropy increases. When the system is under an external magnetic field, one obtains the first-order phase transition where the magnetization jumps for all the values of the exchange anisotropy parameters.
The elusive Heisenberg limit in quantum-enhanced metrology
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
Phase transition in Ising, XY and Heisenberg magnetic films
NASA Astrophysics Data System (ADS)
Masrour, R.; Hamedoun, M.; Benyoussef, A.
2012-01-01
The phase transition and magnetic properties of a ferromagnet spin-S, a disordered diluted thin and semi-infinite film with a face-centered cubic lattice are investigated using the high-temperature series expansions technique extrapolated with Padé approximants method for Heisenberg, XY and Ising models. The reduced critical temperature of the system τc is studied as function of the thickness of the thin film and the exchange interactions in the bulk, and within the surfaces Jb, Js and J⊥, respectively. It is found that τc increases with the exchange interactions of surface. The magnetic phase diagrams (τc versus the dilution x) and the percolation threshold are obtained. The shifts of the critical temperatures Tc(l) from the bulk value (Tc(∞)/Tc(l) - 1) can be described by a power law l-λ, where λ = 1/υ is the inverse of the correlation length exponent.
Propagation and jamming dynamics in Heisenberg spin ladders
NASA Astrophysics Data System (ADS)
Krimphoff, Carlo B.; Haque, Masudul; Läuchli, Andreas M.
2017-04-01
We investigate the propagation dynamics of initially localized excitations in spin-1/2 Heisenberg ladders. We consider initial states with two overturned spins, either on neighboring sites on the same leg or on the two sites of a single rung, in an otherwise polarized (ferromagnetic) background. Compared to the corresponding dynamics in a chain (single leg), we observe several additional modes of propagation. We connect these propagation modes to features of the spectrum of the ladder system, and to different effective models corresponding to different segments of the spectrum. In addition to the regular propagation modes, we observe for one mode a peculiar "jamming" dynamics where components of the excitations remain localized in an unusual manner. A comparison with the spin-1 bilinear-biquadratic chain is developed and explored, where a similar phenomenon is shown to occur.
Magnetic impurities in spin-split superconductors
NASA Astrophysics Data System (ADS)
van Gerven Oei, W.-V.; Tanasković, D.; Žitko, R.
2017-02-01
Hybrid semiconductor-superconductor quantum dot devices are tunable physical realizations of quantum impurity models for a magnetic impurity in a superconducting host. The binding energy of the localized subgap Shiba states is set by the gate voltages and external magnetic field. In this work we discuss the effects of the Zeeman spin splitting, which is generically present both in the quantum dot and in the (thin-film) superconductor. The unequal g factors in semiconductor and superconductor materials result in respective Zeeman splittings of different magnitude. We consider both classical and quantum impurities. In the first case we analytically study the spectral function and the subgap states. The energy of bound states depends on the spin-splitting of the Bogoliubov quasiparticle bands as a simple rigid shift. For the case of collinear magnetization of impurity and host, the Shiba resonance of a given spin polarization remains unperturbed when it overlaps with the branch of the quasiparticle excitations of the opposite spin polarization. In the quantum case, we employ numerical renormalization group calculations to study the effect of the Zeeman field for different values of the g factors of the impurity and of the superconductor. We find that in general the critical magnetic field for the singlet-doublet transition changes nonmonotonically as a function of the superconducting gap, demonstrating the existence of two different transition mechanisms: Zeeman splitting of Shiba states or gap closure due to Zeeman splitting of Bogoliubov states. We also study how in the presence of spin-orbit coupling, modeled as an additional noncollinear component of the magnetic field at the impurity site, the Shiba resonance overlapping with the quasiparticle continuum of the opposite spin gradually broadens and then merges with the continuum.
NASA Astrophysics Data System (ADS)
Zhukov, V. A.; Masyutkin, E. P.; Avdeyev, B. A.
2017-02-01
The mathematical model of a coagulation phenomenon and a coagulation process of ferromagnetic particles under the influence of a constant magnetic field are given in the article. The principles that need to be followed during mathematical modeling are stated.
Heterogeneous and homogeneous nucleation compared: rapid nucleation on microscopic impurities.
Sear, Richard P
2006-03-16
We use computer simulation to calculate the rates of both homogeneous nucleation and heterogeneous nucleation on microscopic impurities. We do so in perhaps the simplest model of fluids and magnets: the two-dimensional Ising model. We expect our results to be qualitatively applicable to many simple and complex fluids. We find that heterogeneous nucleation on an impurity that is not only microscopic but also as small as possible, that is, a single fixed spin, is more than four orders of magnitude faster than homogeneous nucleation. The rate of heterogeneous nucleation then increases by a factor of approximately five for each additional fixed spin in the impurity. These results suggest that impurities as small as single molecules can result in homogeneous nucleation being irrelevant due to heterogeneous nucleation on these microscopic impurities being much faster.
Heisenberg and the Framework of Science Policy
NASA Astrophysics Data System (ADS)
Carson, Cathryn
2003-09-01
In the decades after 1945, new structures were created for science policy in the Federal Republic. To the establishment of the post war framework Heisenberg contributed as much as any other figure. This was true even though, on the whole, he took no great pleasure in the venture, nor was he always particularly adept at it. His conceptions revolved around certain key notions: autonomy and centralization, elite advisory bodies and relationships of trust, modernization and international standards. These show up at many levels of his activity, from the Max Planck Society to national and international advisory committees to the Humboldt Foundation itself. His opinions were shaped by encounters in the Federal Republic, but they also grew out of his experience of the Third Reich. At a moment like the present, when the post war settlement is under review, it is interesting to reflect on the inherited system: on the extent to which it reflects the situation of the post war decades and the intuitions of those who, like Heisenberg, created it.
NASA Astrophysics Data System (ADS)
Matt, Felix; Burkhart, John F.
2017-04-01
Light absorbing impurities in snow and ice (LAISI) originating from atmospheric deposition enhance snow melt by increasing the absorption of short wave radiation. The consequences are a shortening of the snow cover duration due to increased snow melt and, with respect to hydrologic processes, a temporal shift in the discharge generation. However, the magnitude of these effects as simulated in numerical models have large uncertainties, originating mainly from uncertainties in the wet and dry deposition of light absorbing aerosols, limitations in the model representation of the snowpack, and the lack of observable variables required to estimate model parameters and evaluate the simulated variables connected with the representation of LAISI. This leads to high uncertainties in the additional energy absorbed by the snow due to the presence of LAISI, a key variable in understanding snowpack energy-balance dynamics. In this study, we assess the effect of LAISI on snow melt and discharge generation and the involved uncertainties in a high mountain catchment located in the western Himalayas by using a distributed hydrological catchment model with focus on the representation of the seasonal snow pack. The snow albedo is hereby calculated from a radiative transfer model for snow, taking the increased absorption of short wave radiation by LAISI into account. Meteorological forcing data is generated from an assimilation of observations and high resolution WRF simulations, and LAISI mixing ratios from deposition rates of Black Carbon simulated with the FLEXPART model. To asses the quality of our simulations and the related uncertainties, we compare the simulated additional energy absorbed by the snow due to the presence of LAISI to the MODIS Dust Radiative Forcing in Snow (MODDRFS) algorithm satellite product.
Mobile spin impurity in an optical lattice
NASA Astrophysics Data System (ADS)
Duncan, C. W.; Bellotti, F. F.; Öhberg, P.; Zinner, N. T.; Valiente, M.
2017-07-01
We investigate the Fermi polaron problem in a spin-1/2 Fermi gas in an optical lattice for the limit of both strong repulsive contact interactions and one dimension. In this limit, a polaronic-like behaviour is not expected, and the physics is that of a magnon or impurity. While the charge degrees of freedom of the system are frozen, the resulting tight-binding Hamiltonian for the impurity’s spin exhibits an intriguing structure that strongly depends on the filling factor of the lattice potential. This filling dependency also transfers to the nature of the interactions for the case of two magnons and the important spin balanced case. At low filling, and up until near unit filling, the single impurity Hamiltonian faithfully reproduces a single-band, quasi-homogeneous tight-binding problem. As the filling is increased and the second band of the single particle spectrum of the periodic potential is progressively filled, the impurity Hamiltonian, at low energies, describes a single particle trapped in a multi-well potential. Interestingly, once the first two bands are fully filled, the impurity Hamiltonian is a near-perfect realisation of the Su-Schrieffer-Heeger model. Our studies, which go well beyond the single-band approximation, that is, the Hubbard model, pave the way for the realisation of interacting one-dimensional models of condensed matter physics.
NASA Astrophysics Data System (ADS)
Hida, Kazuo
1992-03-01
The quantum disordered state (QDOS) of the spin 1/2 double layer square lattice Heisenberg antiferromagnet is studied. Using the dimer expansion from the limit of the large interlayer coupling J', the staggered susceptibility χ, the antiferromagnetic structure factor Sπ and the antiferromagnetic correlation length ξ are calculated up to the 6-th order in the intralayer coupling J. The ratio analysis shows that the QDOS becomes unstable against the Néel ordering at J'/J≃2.56. The critical exponents are not inconsistent with the universality class of the 3-dimensional classical Heisenberg model, suggesting that our QDOS corresponds to that expected in the 2-dimensional square lattice Heisenberg antiferromagnet with unphysically small spin (<0.276). The results of the projector Monte Carlo simulation also confirms the dimer expansion results.
De Bleye, C; Sacré, P-Y; Dumont, E; Netchacovitch, L; Chavez, P-F; Piel, G; Lebrun, P; Hubert, Ph; Ziemons, E
2014-03-01
This publication reports, for the first time, the development of a quantitative approach using surface-enhanced Raman chemical imaging (SER-CI). A pharmaceutical model presented as tablets based on paracetamol, which is the most sold drug around the world, was used to develop this approach. 4-Aminophenol is the main impurity of paracetamol and is actively researched in pharmaceutical formulations because of its toxicity. As its concentration is generally very low (<0.1%, w/w), conventional Raman chemical imaging cannot be used. In this context, a SER-CI method was developed to quantify 4-aminophenol assessing a limit of quantification below its limit of specification of 1000 ppm. Citrate-reduced silver nanoparticles were used as SERS substrate and these nanoparticles were functionalized using 1-butanethiol. Different ways to cover the tablets surface by butanethiol-functionalized silver nanoparticles were tested and a homogeneity study of the silver nanoparticles covering was realized. This homogeneity study was performed in order to choose the best way to cover the surface of tablets by silver colloid. Afterwards, the optimization of the SER-CI approach was necessary and different spectral intensity normalizations were tested. Finally, a quantitative approach using SER-CI was developed enabling to quantify 4-aminophenol from 0.025% to 0.2% in paracetamol tablets. This quantitative approach was tested on two different series of tablets using different batches of silver nanoparticles.
Kotani, A; Kvashnina, K O; Glatzel, P; Parlebas, J C; Schmerber, G
2012-01-20
We resolved a recent controversy on the structure of the Ce L(3) x-ray absorption spectra (XAS) of CeFe(2); i.e., which of the single impurity Anderson model (SIAM) and the first-principles band calculations based on the density-functional theory (DFT) describes more appropriately the Ce 4f states and their contribution to the Ce L(3) XAS? For this purpose, we examined the core-hole effect in Ce L(3) XAS as an application of our new method taking advantage of resonant x-ray emission spectroscopy. Our result clearly shows that the Ce L(3) XAS structure is caused by the mixed valence 4f character revealed by the core-hole potential effect as indicated by SIAM, but denies the possibility that the L(3) XAS structure is caused by the 5d band structure with a very small core-hole effect as predicted by band calculations based on DFT. © 2012 American Physical Society
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.
Impurity State and Variable Range Hopping Conduction in Graphene
NASA Astrophysics Data System (ADS)
Liang, Sang-Zi; Sofo, Jorge O.
2012-12-01
The variable range hopping theory, as formulated for exponentially localized impurity states, does not necessarily apply in the case of graphene with covalently attached impurities. We analyze the localization of impurity states in graphene using the nearest-neighbor, tight-binding model of an adatom-graphene system with Green’s function perturbation methods. The amplitude of the impurity state wave function is determined to decay as a power law with exponents depending on sublattice, direction, and the impurity species. We revisit the variable range hopping theory in view of this result and find that the conductivity depends as a power law of the temperature with an exponent related to the localization of the wave function. We show that this temperature dependence is in agreement with available experimental results.
Quantum dynamics of impurities coupled to a Fermi sea
NASA Astrophysics Data System (ADS)
Parish, Meera M.; Levinsen, Jesper
2016-11-01
We consider the dynamics of an impurity atom immersed in an ideal Fermi gas at zero temperature. We focus on the coherent quantum evolution of the impurity following a quench to strong impurity-fermion interactions, where the interactions are assumed to be short range like in cold-atom experiments. To approximately model the many-body time evolution, we use a truncated basis method, where at most two particle-hole excitations of the Fermi sea are included. When the system is initially noninteracting, we show that our method exactly captures the short-time dynamics following the quench, and we find that the overlap between initial and final states displays a universal nonanalytic dependence on time in this limit. We further demonstrate how our method can be used to compute the impurity spectral function, as well as describe many-body phenomena involving coupled impurity spin states, such as Rabi oscillations in a medium or highly engineered quantum quenches.
Scattering-induced quantum correlation in electronic waveguides with static magnetic impurities
NASA Astrophysics Data System (ADS)
Ghanbari-Adivi, E.; Soltani, M.; Alami, Z.; Sheikhali, M.
2016-10-01
Entanglement generation due to low-energy scattering of the transporting electrons in an electronic waveguide by a quantum dot magnetic impurity is theoretically investigated. The transverse confining potential of the waveguide is considered as a two-dimensional harmonic potential, and the interaction of the electron with the impurity is described by a zero-range pseudopotential modulated by an Ising or a Heisenberg spin interaction. Our calculation shows that the scattering process leads to creation of a considerable amount of entanglement in the state of the reflected and transmitted electrons. The situation is extended to the scattering of the electrons by two well-separated magnetic impurities localized on the nanowire axis. It is shown that the scattering process causes the magnetic impurities embedded in the nanowire to share their quantum information; subsequently, they can be entangled by spin interaction with the injected electron. The created entanglement between the impurities is calculated and discussed. It is shown that the exact three-dimensional problem can be approximated as a one-dimensional problem under certain circumstances. The approximate results are compared to exact calculations and discussed.
Teleportation via thermally entangled states of a two-qubit Heisenberg XX chain
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.
Full counting statistics in the spin-1/2 Heisenberg XXZ chain
NASA Astrophysics Data System (ADS)
Collura, Mario; Essler, Fabian H. L.; Groha, Stefan
2017-10-01
The spin-1/2 Heisenberg chain exhibits a quantum critical regime characterized by quasi long-range magnetic order at zero temperature. We quantify the strength of quantum fluctuations in the ground state by determining the probability distributions of the components of the (staggered) subsystem magnetization. Some of these exhibit scaling and the corresponding universal scaling functions can be determined by free fermion methods and by exploiting a relation with the boundary sine-Gordon model.
NASA Astrophysics Data System (ADS)
Alécio, Raphael C.; Lyra, Marcelo L.; Strečka, Jozef
2016-11-01
The ground-state phase diagram, magnetization process and bipartite entanglement of the frustrated spin-1/2 Ising-Heisenberg and Heisenberg triangular tube (three-leg ladder) are investigated in a non-zero external magnetic field. The exact ground-state phase diagram of the spin-1/2 Ising-Heisenberg tube with Heisenberg intra-rung and Ising inter-rung couplings consists of six distinct gapped phases, which manifest themselves in a magnetization curve as intermediate plateaus at zero, one-third and two-thirds of the saturation magnetization. Four out of six available ground states exhibit quantum entanglement between two spins from the same triangular unit evidenced by a non-zero concurrence. Density-matrix renormalization group calculations are used in order to construct the ground-state phase diagram of the analogous but purely quantum spin-1/2 Heisenberg tube with Heisenberg intra- and inter-rung couplings, which consists of four gapped and three gapless phases. The Heisenberg tube shows a continuous change of the magnetization instead of a plateau at zero magnetization, while the intermediate one-third and two-thirds plateaus may be present or not in the zero-temperature magnetization curve.
2010-10-01
parasitic capacitance over time. Figure 7 shows the model of the power MOSFET with the relevant parasitic elements during switch on process. The (a...implies that for the same S: 0 )(1 x o ox So G d K V (8) Finally, computing the capacitance for a nonideal MOSFET /IGBT os to... MOSFETs and IGBTs have similar gate structure as describe earlier, the gate parasitic capacitance , that has been modeled and tested, would have similar
Impurities in Kevlar 49 fibers
Pruneda, C.O.; Morgan, R.J.; Lim, R.; Gregory, L.J.; Fischer, J.W.
1984-12-11
The impurities in Kevlar 49 fibers (poly(p-phenylene terephthalamide)PPTA) are reported and discussed in terms of the fiber fabrication processes. These impurities were monitored by inductively coupled plasma emission and optical emission spectroscopy. The principal impurities Na/sub 2/SO/sub 4/ and total S were analyzed chemically. From these chemical analyses together with C, N, H elemental analyses we show that there are 1.5 wt % impurities present in Kevlar 49 fibers of which approx. 50% are in the form of Na/sub 2/SO/sub 4/ and the remainder probably in the form of benzene sulfonic -SO/sub 3/H PPTA side groups. There are 3 of these acid groups per each PPTA macromolecule. Organic impurities, such as terephthalic acid are discussed in the light of degradation studies of PPTA-H/sub 2/SO/sub 4/ spinning dopes. Electron microprobe x-ray spectroscopy and laser-induced damage studies were utilized to investigate the distribution of impurities through the fiber cross-section. The distribution of impurities throughout the fiber are determined by the fiber fabrication processes and are discussed at the microscopic and molecular level. The defects caused by these impurities and their effect on the deformation and failure modes are also considered. 22 references, 3 tables.
Effect of impurities on chirality conversion by grinding
NASA Astrophysics Data System (ADS)
Katsuno, Hiroyasu; Uwaha, Makio
2017-06-01
We study the effect of chiral impurities on Viedma ripening using a simple reaction model. The exponential amplification of the enantiomeric excess (EE) is greatly accelerated by a smaller growth rate of solids with monomers caused by the chiral impurities. From the analysis of the model, it is found that the time evolution of the EE is essentially described by a second-order differential equation. The effect of chiral impurities is that the unstable fixed point is shifted from the racemic point, which leads to the linear amplification behavior observed experimentally. The analysis also shows a possibility of an oscillatory decay of the EE.
N-leg spin-S Heisenberg ladders: A density-matrix renormalization group study
NASA Astrophysics Data System (ADS)
Ramos, F. B.; Xavier, J. C.
2014-03-01
We investigate the N-leg spin-S Heisenberg ladders by using the density matrix renormalization group method. We present estimates of the spin gap Δs and of the ground-state energy per site e∞N in the thermodynamic limit for ladders with widths up to six legs and spin S≤5/2. We also estimate the ground-state energy per site e∞2D for the infinite two-dimensional spin-S Heisenberg model. Our results support that for ladders with semi-integer spins the spin excitation is gapless for N odd and gapped for N even, whereas for integer spin ladders the spin gap is nonzero, independent of the number of legs. Those results agree with the well-known conjectures of Haldane and Sénéchal-Sierra for chains and ladders, respectively. We also observe edge states for ladders with N odd, similar to what happens in spin chains.
Depondt, Ph; Mertens, F G
2009-08-19
Spin dynamics with the Landau-Lifshitz equation has provided topics for a wealth of research endeavors. We introduce here a numerical integration method which explicitly uses the precession motion of a spin about the local field, thus intrinsically conserving spin lengths, and therefore allowing for relatively quick results for a large number of situations with varying temperatures and couplings. This method is applied to the effect of long-range dipole-dipole interactions in two-dimensional clusters of spins with nearest-neighbor XY-Heisenberg exchange interactions on a square lattice at finite temperature. The structures thus obtained are analyzed through orientational correlations functions. Magnon dispersion curves, different from those of the standard Heisenberg model, are obtained and discussed. The number of vortices in the system is discussed as a function of temperature and typical examples of vortex dynamics are shown.
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)
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)
Whittaker modules for the twisted Heisenberg-Virasoro algebra
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.
Heisenberg Uncertainty and the Allowable Masses of the Up Quark and Down Quark
NASA Astrophysics Data System (ADS)
Orr, Brian
2004-05-01
A possible explanation for the inability to attain deterministic measurements of an elementary particle's energy, as given by the Heisenberg Uncertainty Principle, manifests itself in an interesting anthropic consequent of Andrei Linde's Self-reproducing Inflationary Multiverse model. In Linde's model, the physical laws and constants that govern our universe adopt other values in other universes, due to variable Higgs fields. While the physics in our universe allow for the advent of life and consciousness, the physics necessary for life are not likely to exist in other universes -- Linde demonstrates this through a kind of Darwinism for universes. Our universe, then, is unique. But what are the physical laws and constants that make our universe what it is? Craig Hogan identifies five physical constants that are not bound by symmetry. Fine-tuning these constants gives rise to the basic behavior and structures of the universe. Three of the non-symmetric constants are fermion masses: the up quark mass, the down quark mass, and the electron mass. I will explore Linde's and Hogan's works by comparing the amount of uncertainty in quark masses, as calculated from the Heisenberg Uncertainty Principle, to the range of quark mass values consistent with our observed universe. Should the fine-tuning of the up quark and down quark masses be greater than the range of Heisenberg uncertainties in their respective masses (as I predict, due to quantum tunneling), then perhaps there is a correlation between the measured Heisenberg uncertainty in quark masses and the fine-tuning of masses required for our universe to be as it is. Hogan; "Why the Universe is Just So;" Reviews of Modern Physics; Issue 4; Vol. 72; pg. 1149-1161; Oct. 2000 Linde, "The Self-Reproducing Inflationary Universe;" Scientific American; No. 5; Vol. 271; pg. 48-55; Nov. 1994
Quasi-Linear Algebras and Integrability (the Heisenberg Picture)
NASA Astrophysics Data System (ADS)
Vinet, Luc; Zhedanov, Alexei
2008-02-01
We study Poisson and operator algebras with the ''quasi-linear property'' from the Heisenberg picture point of view. This means that there exists a set of one-parameter groups yielding an explicit expression of dynamical variables (operators) as functions of ''time'' t. We show that many algebras with nonlinear commutation relations such as the Askey-Wilson, q-Dolan-Grady and others satisfy this property. This provides one more (explicit Heisenberg evolution) interpretation of the corresponding integrable systems.
First-Order Polynomial Heisenberg Algebras and Coherent States
NASA Astrophysics Data System (ADS)
Castillo-Celeita, M.; Fernández C, D. J.
2016-03-01
The polynomial Heisenberg algebras (PHA) are deformations of the Heisenberg- Weyl algebra characterizing the underlying symmetry of the supersymmetric partners of the Harmonic oscillator. When looking for the simplest system ruled by PHA, however, we end up with the harmonic oscillator. In this paper we are going to realize the first-order PHA through the harmonic oscillator. The associated coherent states will be also constructed, which turn out to be the well known even and odd coherent states.
Quantum interference on electron scattering in graphene by carbon impurities in underlying h -BN
NASA Astrophysics Data System (ADS)
Kaneko, Tomoaki; Koshino, Mikito; Saito, Riichiro
2017-03-01
Electronic structures and transport properties of graphene on h -BN with carbon impurities are investigated by first-principles calculation and the tight-binding model. We show that the coupling between the impurity level and the graphene's Dirac cone sensitively depends on the impurity position, and in particular, it nearly vanishes when the impurity is located right below the center of the six membered ring of graphene. The Bloch phase factor at the Brillouin zone edge plays a decisive role in the cancellation of the hopping integrals. The impurity position dependence on the electronic structures of graphene on h -BN is investigated by the first-principles calculation, and its qualitative feature is well explained by a tight-binding model with graphene and a single impurity site. We also propose a simple one-dimensional chain-impurity model to analytically describe the role of the quantum interference in the position-dependent coupling.
Related impurities in peptide medicines.
D'Hondt, Matthias; Bracke, Nathalie; Taevernier, Lien; Gevaert, Bert; Verbeke, Frederick; Wynendaele, Evelien; De Spiegeleer, Bart
2014-12-01
Peptides are an increasingly important group of pharmaceuticals, positioned between classic small organic molecules and larger bio-molecules such as proteins. Currently, the peptide drug market is growing twice as fast as other drug markets, illustrating the increasing clinical as well as economical impact of this medicine group. Most peptides today are manufactured by solid-phase peptide synthesis (SPPS). This review will provide a structured overview of the most commonly observed peptide-related impurities in peptide medicines, encompassing the active pharmaceutical ingredients (API or drug substance) as well as the finished drug products. Not only is control of these peptide-related impurities and degradants critical for the already approved and clinically used peptide-drugs, these impurities also possess the capability of greatly influencing initial functionality studies during early drug discovery phases, possibly resulting in erroneous conclusions. The first group of peptide-related impurities is SPPS-related: deletion and insertion of amino acids are related to inefficient Fmoc-deprotection and excess use of amino acid reagents, respectively. Fmoc-deprotection can cause racemization of amino acid residues and thus diastereomeric impurities. Inefficient deprotection of amino acid side chains results into peptide-protection adducts. Furthermore, unprotected side chains can react with a variety of reagents used in the synthesis. Oxidation of amino acid side chains and dimeric-to-oligomeric impurities were also observed. Unwanted peptide counter ions such as trifluoroacetate, originating from the SPPS itself or from additional purification treatments, may also be present in the final peptide product. Contamination of the desired peptide product by other unrelated peptides was also seen, pointing out the lack of appropriate GMP. The second impurity group results from typical peptide degradation mechanisms such as β-elimination, diketopiperazine, pyroglutamate
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.
The impact of impurities on long-term PEMFC performance
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.
Generalized Wilson chain for solving multichannel quantum impurity problems
NASA Astrophysics Data System (ADS)
Mitchell, Andrew K.; Galpin, Martin R.; Wilson-Fletcher, Samuel; Logan, David E.; Bulla, Ralf
2014-03-01
The numerical renormalization group is used to solve quantum impurity problems, which describe magnetic impurities in metals, nanodevices, and correlated materials within dynamical mean field theory. Here we present a simple generalization of the Wilson chain, which improves the scaling of computational cost with the number of conduction bands, bringing more complex problems within reach. The method is applied to calculate the t matrix of the three-channel Kondo model at T =0, which shows universal crossovers near non-Fermi-liquid critical points. A nonintegrable three-impurity problem with three bands is also studied, revealing a rich phase diagram and novel screening and overscreening mechanisms.
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.
Variational Monte Carlo investigation of SU (N ) Heisenberg chains
NASA Astrophysics Data System (ADS)
Dufour, Jérôme; Nataf, Pierre; Mila, Frédéric
2015-05-01
Motivated by recent experimental progress in the context of ultracold multicolor fermionic atoms in optical lattices, we have investigated the properties of the SU (N) Heisenberg chain with totally antisymmetric irreducible representations, the effective model of Mott phases with m
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.
Callen-like method for the classical Heisenberg ferromagnet
NASA Astrophysics Data System (ADS)
Campana, L. S.; Cavallo, A.; De Cesare, L.; Esposito, U.; Naddeo, A.
2012-02-01
A study of the d-dimensional classical Heisenberg ferromagnetic model in the presence of a magnetic field is performed within the two-time Green function's framework in classical statistical physics. We extend the well known quantum Callen method to derive analytically a new formula for magnetization. Although this formula is valid for any dimensionality, we focus on one- and three- dimensional models and compare the predictions with those arising from a different expression suggested many years ago in the context of the classical spectral density method. Both frameworks give results in good agreement with the exact numerical transfer-matrix data for the one-dimensional case and with the exact high-temperature-series results for the three-dimensional one. In particular, for the ferromagnetic chain, the zero-field susceptibility results are found to be consistent with the exact analytical ones obtained by M.E. Fisher. However, the formula derived in the present paper provides more accurate predictions in a wide range of temperatures of experimental and numerical interest.
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.
Radial impurity flux measuring method with plasma heating in general geometry
NASA Astrophysics Data System (ADS)
Espinosa, Silvia; Catto, Peter J.
2017-10-01
Devising a means to measure the radial impurity flux across the pedestal could be used to reduce impurity accumulation, if not prevent it while providing natural fueling, and thus improving fusion performance in tokamaks. We employ a novel solution procedure that takes advantage of the poloidal flow measurement to obtain the radial impurity flux directly from available diagnostics, such as charge exchange recombination spectroscopy and Thomson scattering. In the absence of our procedure, a computationally demanding kinetic calculation of the full bulk ion response would be required at finite aspect ratio for the flux surface shape of interest. The more general form of the model considered here permits large toroidal impurity flow on the order of the impurity thermal speed. Moreover, it allows plasma heating techniques to be employed to actively modify the poloidal variation of the potential to adjust the location of impurity accumulation and thereby alter the radial impurity flux.
Quantum critical behavior of low-dimensional spin 1/2 Heisenberg antiferromagnets
NASA Astrophysics Data System (ADS)
Stone, Matthew Brandon
In this dissertation, experiments on four different insulating antiferromagnetic spin 1/2 Heisenberg systems are presented and described. Copper pyrazine dinitrate is a linear chain spin 1/2 (S = 1/2) Heisenberg antiferromagnet. In an applied magnetic field, the continuum splits into multiple continua including incommensurate gapless excitations. The inelastic neutron scattering measurements presented represent the first complete experimental study of the S = 1/2 linear chain excitation spectrum in an applied magnetic field. Copper nitrate is a S = 1/2 alternating chain Heisenberg antiferromagnet. This system is near the isolated dimer limit, such that perturbation theory based on weakly coupled spin pairs accurately describes the excitation spectrum. Inelastic neutron scattering measurements were performed as a function of applied magnetic field. The data presented here represent the first such measure in all portions of the magnetic phase diagram of a gapped quantum magnet. Piperazinium hexachlorodicuprate is a two-dimensional S = 1/2 Heisenberg antiferromagnet. It is shown in this work that the structure consists of a collection of coupled spins in the crystalline ac plane. Multiple spin-spin interactions are important in this material. This has consequences for the nature of the dominant interactions and causes there to be significant spin frustration in this system. The spectrum consists of coherent dispersive singlet-triplet excitations describable in terms of multiple significant exchange interactions with geometrical frustration. Thermodynamic and inelastic neutron scattering measurements are presented which characterize the magnetic excitations as a function of temperature and applied magnetic field. In addition, the full magnetic phase diagram including a gapless disordered phase and a reentrant phase transition is presented. Cu2(1,4-diazacycloheptane)2Cl4 was widely believed to be a S = 1/2 Heisenberg spin-ladder material. Neutron scattering measurements
Transport Simulations of DIII-D Discharges with Impurity Injection
NASA Astrophysics Data System (ADS)
Mandrekas, J.; Stacey, W. M.; Murakami, M.
2001-10-01
Several recent DIII-D discharges with external impurity injection into L-mode plasmas are analyzed with a coupled main plasma and multi-charge state 1frac 12-D impurity transport code. These discharges exhibit various degrees of confinement improvement, which has been attributed to the synergistic effects of impurity induced enhancement of the E×B shearing rate and reduction of the drift wave turbulence growth rate (M. Murakami, et. al., Nucl. Fusion 41) (2001) 317.. Impurity transport is described by empirical and neoclassical transport models. Both the standard neoclassical theory as well as an enhanced theory which takes into account the effects of external momentum input and radial momentum transport (W.M. Stacey, Phys. Plasmas 8) (2001) 158. have been considered.
Nonreciprocal spin wave elementary excitation in dislocated dimerized Heisenberg chains.
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.
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.
Exact Diagonalization studies of frustrated AFM Heisenberg polytopes
NASA Astrophysics Data System (ADS)
Rousochatzakis, Ioannis; Laeuchli, Andreas; Mila, Frederic
2007-03-01
We explore the low energy physics of the AFM s=1/2 Heisenberg model on a number of frustrated magnetic molecule systems using exact diagonalization (ED). Particular emphasis is given to molecules with spins occupying the vertices of symmetric polyhedra. To this end, we have extended the standard ED technique in order to exploit the full point group (permutation) symmetry, thus including higher than one-dimensional irreducible representations. Apart from classifying the energy spectra according to both spin and permutation symmetries, our method provides the exact level degeneracies. In particular, for large frustrated polytopes, we find the existence of an accordingly large number of low-lying singlets below the first triplet, similarly to the case of frustrated 2D magnets. We also study the properties of the local spectral density functions, in view of interpreting recent neutron scattering experiments in Fe30, one of the biggest AFM frustrated molecule available (comprising 30 spins 5/2 mounted on the vertices of a icosidodecahedron).
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.
Mott glass phase in a diluted bilayer Heisenberg quantum antiferromagnet
NASA Astrophysics Data System (ADS)
Ma, Nv-Sen; Sandvik, Anders W.; Yao, Dao-Xin
2015-09-01
We use quantum Monte Carlo simulations to study a dimer-diluted S = 1/2 Heisenberg model on a bilayer square lattice with intralayer interaction J1 and interlayer interaction J2. Below the classical percolation threshold pc, the system has three phases reachable by tuning the interaction ratio g = J2/J1: a Néel ordered phase, a gapless quantum glass phase, and a gapped quantum paramagnetic phase. We present the ground-state phase diagram in the plane of dilution p and interaction ratio g. The quantum glass phase is certified to be of the gapless Mott glass type, having a uniform susceptibility vanishing at zero temperature T and following a stretched exponential form at T > 0; χu exp(-b/Tα) with α < 1. At the phase transition point from Neel ordered to Mott glass, we find that the critical exponents are different from those of the clean system described by the standard O(3) universality class in 2+1 dimensions.
Valence bond distribution and correlation in bipartite Heisenberg antiferromagnets
NASA Astrophysics Data System (ADS)
Schwandt, David; Alet, Fabien; Oshikawa, Masaki
2014-03-01
Every singlet state of a quantum spin-1/2 system can be decomposed into a linear combination of valence bond basis states. The range of valence bonds within this linear combination as well as the correlations between them can reveal the nature of the singlet state and are key ingredients in variational calculations. In this work, we study the bipartite valence bond distributions and their correlations within the ground state of the Heisenberg antiferromagnet on bipartite lattices. In terms of field theory, this problem can be mapped to correlation functions near a boundary. In dimension d ≥2, a nonlinear σ model analysis reveals that at long distances the probability distribution P (r) of valence bond lengths decays as |r|-d-1 and that valence bonds are uncorrelated. By a bosonization analysis, we also obtain P(r )∝|r|-d-1 in d =1 despite the different mechanism. On the other hand, we find that correlations between valence bonds are important even at large distances in d =1, in stark contrast to d ≥2. The analytical results are confirmed by high-precision quantum Monte Carlo simulations in d =1, 2, and 3. We develop a single-projection loop variant of the valence bond projection algorithm, which is well designed to compute valence bond probabilities and for which we provide algorithmic details.
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
Ultrasoft X-ray Measurements of Impurity Profiles in NSTX*
NASA Astrophysics Data System (ADS)
Stutman, D.; Finkenthal, M.; Vero, R.; Fournier, K.; Soukhanovskii, V.; Menard, J.; Bell, M.; Bell, R.; Efthimion, P.; Kaye, S.; Leblanc, B.; Mueller, P.; Synakowski, E.; Maingi, R.; Houlberg, W.
2001-10-01
Three arrays of absolute photodiodes and several calibrated spectrometers measure the emission profiles and impurity spectra in the ultrasoft and soft X-ray range in NSTX. A multilayer mirror array for C VI Ly-alpha was also recently installed. Impurity density profiles are estimated by modeling these data with an atomic physics and impurity transport computational package. Many ohmic discharges show evidence for strong impurity peaking, which is reduced by either sawtooth crashes or early Reconnection Events. The peaking is associated with strong 1/1 activity. Peripheral impurity accumulation and cold island formation are observed in ELM-free H-modes.The profiles in center-stack -limited NBI discharges on the other hand, exhibit a pronounced 'well' at r/a <0.5-0.6. Modeling this profile requires a discontinuity in the core particle transport, suggesting the existence of a 'natural' internal barrier. Sheared MHD rotation is often observed at the radius of this discontinuity. Neon injection experiments were performed for a preliminary quantitative estimate of the impurity transport. The time-dependent simulation of the Ne profiles seems to support a large decrease in particle diffusion at about mid-radius. Comparison with neo-classical predictions will be discussed. *Work supported by DoE grant No. DE-FG02-99ER54523
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.
Elemental Impurities in Pharmaceutical Excipients.
Li, Gang; Schoneker, Dave; Ulman, Katherine L; Sturm, Jason J; Thackery, Lisa M; Kauffman, John F
2015-12-01
Control of elemental impurities in pharmaceutical materials is currently undergoing a transition from control based on concentrations in components of drug products to control based on permitted daily exposures in drug products. Within the pharmaceutical community, there is uncertainty regarding the impact of these changes on manufactures of drug products. This uncertainty is fueled in part by a lack of publically available information on elemental impurity levels in common pharmaceutical excipients. This paper summarizes a recent survey of elemental impurity levels in common pharmaceutical excipients as well as some drug substances. A widely applicable analytical procedure was developed and was shown to be suitable for analysis of elements that are subject to United States Pharmacopoeia Chapter <232> and International Conference on Harmonization's Q3D Guideline on Elemental Impurities. The procedure utilizes microwave-assisted digestion of pharmaceutical materials and inductively coupled plasma mass spectrometry for quantitative analysis of these elements. The procedure was applied to 190 samples from 31 different excipients and 15 samples from eight drug substances provided through the International Pharmaceutical Excipient Council of the Americas. The results of the survey indicate that, for the materials included in the study, relatively low levels of elemental impurities are present. © 2015 The Authors. Journal of Pharmaceutical Sciences published by Wiley Periodicals, Inc. and the American Pharmacists Association.
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.
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.
Chen, Shu; Wang, Li; Gu, Shi-Jian; Wang, Yupeng
2007-12-01
In this paper, we investigate the fidelity for the Heisenberg chain with the next-nearest-neighbor interaction (or the J1-J2 model) and analyze its connections with quantum phase transition. We compute the fidelity between the ground states and find that the phase transition point of the J1-J2 model cannot be well characterized by the ground-state fidelity for finite-size systems. Instead, we introduce and calculate the fidelity between the first excited states. Our results show that the quantum transition can be well characterized by the fidelity of the first excited state even for a small-size system.
Single-impurity-induced Dicke quantum phase transition in a cavity-Bose-Einstein condensate.
Yuan, Ji-Bing; Lu, Wang-Jun; Song, Ya-Ju; Kuang, Le-Man
2017-08-07
We present a new generalized Dicke model, an impurity-doped Dicke model (IDDM), by the use of an impurity-doped cavity-Bose-Einstein condensate (BEC). It is shown that the impurity atom can induce Dicke quantum phase transition (QPT) from the normal phase to superradiant phase at a critic value of the impurity population. It is found that the impurity-induced Dicke QPT can happen in an arbitrary field-atom coupling regime while the Dicke QPT in the standard Dicke model occurs only in the strong coupling regime of the cavity field and atoms. This opens the possibility to realize the control of quantum properties of a macroscopic-quantum system (BEC) by using a microscopic quantum system (a single impurity atom).
Toward Heisenberg-limited spectroscopy with multiparticle entangled states.
Leibfried, D; Barrett, M D; Schaetz, T; Britton, J; Chiaverini, J; Itano, W M; Jost, J D; Langer, C; Wineland, D J
2004-06-04
The precision in spectroscopy of any quantum system is fundamentally limited by the Heisenberg uncertainty relation for energy and time. For N systems, this limit requires that they be in a quantum-mechanically entangled state. We describe a scalable method of spectroscopy that can potentially take full advantage of entanglement to reach the Heisenberg limit and has the practical advantage that the spectroscopic information is transferred to states with optimal protection against readout noise. We demonstrate our method experimentally with three beryllium ions. The spectroscopic sensitivity attained is 1.45(2) times as high as that of a perfect experiment with three non-entangled particles.
Quantum signatures of breathers in a finite Heisenberg spin chain.
Djoufack, Z I; Kenfack-Jiotsa, A; Nguenang, J P; Domngang, S
2010-05-26
A map of a quantum Heisenberg spin chain into an extended Bose-Hubbard-like Hamiltonian is set up. Within this framework, the spectrum of the corresponding Bose-Hubbard chain, on a periodic one-dimensional lattice containing two, four, and six bosons shows interesting detailed band structures. These fine structures are studied using numerical diagonalization, and nondegenerate and degenerate perturbation theory. We also focus our attention on the effect of the anisotropy and Heisenberg exchange energy on the detailed band structures. The signature of the quantum breather is also set up by the square of the amplitudes of the corresponding eigenvectors in real space.
Acetylated lysozyme as impurity in lysozyme crystals: constant distribution coefficient
NASA Astrophysics Data System (ADS)
Thomas, B. R.; Chernov, A. A.
2001-11-01
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 and B impurities added were 0.76, 0.38 and 0.1 mg/ml and 0.43, 0.22, 0.1 mg/ml, respectively. The HEWL concentration were 20, 30 and 40 mg/ml. The crystals grown in 18 experiments for each impurity concentration and supersaturation 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±0.13 for A and K=3.42±0.25 for B. According to definition of K by Eq. (1) in the text, the condition K=const is equivalent to a decrease of impurity amount in the crystal as the supersaturation increases. 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 the impurity adsorption and incorporation rates are proportional to the impurity concentration and that the growth rate is proportional to the concentration of crystallizing protein in solution. The frequency at which an impurity molecules irreversibly join the crystal was estimated to be 3 s -1, much higher than such frequency for regular crystal molecules 5×10 -2 s -1 at 30 mg/ml lysozyme concentration. Reasons for this inequality are discussed.
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.
ALUMINUM IMPURITY DIFFUSION IN MAGNESIUM
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.
NASA Astrophysics Data System (ADS)
Rodrigues, F. C.; de Souza, S. M.; Rojas, Onofre
2017-04-01
Motivated by the recent discoveries of some compounds such as the Bi2Fe4O9 which crystallizes in an orthorhombic crystal structure with the Fe3+ ions, and iron-based oxyfluoride Bi4Fe5O13 F compounds following the pattern of Cairo pentagonal structure, among some other compounds. We propose a model for one stripe of the Cairo pentagonal Ising-Heisenberg lattice, one of the edges of a pentagon is different, and this edge will be associated with a Heisenberg exchange interaction, while the Ising exchange interactions will associate the other edges. We study the phase transition at zero temperature, illustrating five phases: a ferromagnetic phase (FM), a dimer antiferromagnetic (DAF), a plaquette antiferromagnetic (PAF), a typical antiferromagnetic (AFM) and a peculiar frustrated phase (FRU) where two types of frustrated states with the same energy coexist. To obtain the partition function of this model, we use the transfer matrix approach and following the eight vertex model notation. Using this result we discuss the specific heat, internal energy and entropy as a function of the temperature, and we can observe some unexpected behavior in the low-temperature limit, such as anomalous double peak in specific heat due to the existence of three phase (FRU, PAF(AFM) and FM) transitions occurring in a close region to each other. Consequently, the low-lying energy thermal excitation generates this double anomalous peak, and we also discuss the internal energy at the low temperature limit, where this double peak curve occurs. Some properties of our result were compared with two dimensional Cairo pentagonal lattices, as well as orthogonal dimer plaquette Ising-Heisenberg chain.
Li, ZhenHua; Tong, NingHua; Zheng, Xiao; Hou, Dong; Wei, JianHua; Hu, Jie; Yan, YiJing
2012-12-28
A hierarchical equations of motion based numerical approach is developed for accurate and efficient evaluation of dynamical observables of strongly correlated quantum impurity systems. This approach is capable of describing quantitatively Kondo resonance and Fermi-liquid characteristics, achieving the accuracy of the latest high-level numerical renormalization group approach, as demonstrated on single-impurity Anderson model systems. Its application to a two-impurity Anderson model results in differential conductance versus external bias, which correctly reproduces the continuous transition from Kondo states of individual impurity to singlet spin states formed between two impurities. The outstanding performance on characterizing both equilibrium and nonequilibrium properties of quantum impurity systems makes the hierarchical equations of motion approach potentially useful for addressing strongly correlated lattice systems in the framework of dynamical mean-field theory.
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.
New Universality Class in Spin-One-Half Fibonacci Heisenberg Chains
NASA Astrophysics Data System (ADS)
Hida, Kazuo
2004-07-01
Low energy properties of the S=1/2 antiferromagnetic Heisenberg chains with Fibonacci exchange modulation are studied using the real space renormalization group method for strong exchange modulation. Using the analytical solution of the recursion equation, the true asymptotic behavoir is revealed, which was veiled by the finite size effect in the previous numerical works. It is found that the ground state of this model belongs to a new universality class with a logarithmically divergent dynamical exponent which is neither like Fibonacci XY chains nor like XY chains with relevant aperiodicity.
Fourier and Schur-Weyl transforms applied to XXX Heisenberg magnet
NASA Astrophysics Data System (ADS)
Jakubczyk, P.; Lulek, T.; Jakubczyk, D.; Lulek, B.
2010-03-01
Similarities and differences between Fourier and Schur-Weyl transforms have been discussed in the context of a one-dimensional Heisenberg magnetic ring with N nodes. We demonstrate that main difference between them correspond to another partitioning of the Hilbert space of the magnet. In particular, we point out that application of the quantum Fourier transform corresponds to splitting of the Hilbert space of the model into subspaces associated with the orbits of the cyclic group, whereas, the Schur-Weyl transform corresponds to splitting into subspaces associated with orbits of the symmetric group.
Néel temperature of quasi-low-dimensional Heisenberg antiferromagnets.
Yasuda, C; Todo, S; Hukushima, K; Alet, F; Keller, M; Troyer, M; Takayama, H
2005-06-03
The Néel temperature T(N) of quasi-one- and quasi-two-dimensional antiferromagnetic Heisenberg models on a cubic lattice is calculated by Monte Carlo simulations as a function of interchain (interlayer) to intrachain (intralayer) coupling J(')/J down to J(')/J approximately = 10(-3). We find that T(N) obeys a modified random-phase approximationlike relation for small J(')/J with an effective universal renormalized coordination number, independent of the size of the spin. Empirical formulas describing T(N) for a wide range of J(') and useful for the analysis of experimental measurements are presented.
Spin-Lattice-Coupled Order in Heisenberg Antiferromagnets on the Pyrochlore Lattice.
Aoyama, Kazushi; Kawamura, Hikaru
2016-06-24
Effects of local lattice distortions on the spin ordering are investigated for the antiferromagnetic classical Heisenberg model on the pyrochlore lattice. It is found by Monte Carlo simulations that the spin-lattice coupling (SLC) originating from site phonons induces a first-order transition into two different types of collinear magnetic ordered states. The state realized at the stronger SLC is cubic symmetric characterized by the magnetic (1/2,1/2,1/2) Bragg peaks, while that at the weaker SLC is tetragonal symmetric characterized by the (1,1,0) ones, each accompanied by the commensurate local lattice distortions. Experimental implications to chromium spinels are discussed.
Double-well atom trap for fluorescence detection at the Heisenberg limit
NASA Astrophysics Data System (ADS)
Stroescu, Ion; Hume, David B.; Oberthaler, Markus K.
2015-01-01
We experimentally demonstrate an atom number detector capable of simultaneous detection of two mesoscopic ensembles with single-atom resolution. Such a sensitivity is a prerequisite for quantum metrology at a precision approaching the Heisenberg limit. Our system is based on fluorescence detection of atoms in a hybrid trap in which a dipole barrier divides a magneto-optical trap into two separated wells. We introduce a noise model describing the various sources contributing to the measurement error and report a limit of up to 500 atoms for single-atom resolution in the atom number difference.
New universality class in spin-one-half Fibonacci Heisenberg chains.
Hida, Kazuo
2004-07-16
Low energy properties of the S=1/2 antiferromagnetic Heisenberg chains with Fibonacci exchange modulation are studied using the real space renormalization group method for strong exchange modulation. Using the analytical solution of the recursion equation, the true asymptotic behavoir is revealed, which was veiled by the finite size effect in the previous numerical works. It is found that the ground state of this model belongs to a new universality class with a logarithmically divergent dynamical exponent which is neither like Fibonacci XY chains nor like XY chains with relevant aperiodicity.
Impurity transport driven by ion temperature gradient turbulence in tokamak plasmas
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.
Control of impurities in toroidal plasma devices
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.
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.
Heisenberg uncertainty principles for an oscillatory integral operator
NASA Astrophysics Data System (ADS)
Castro, L. P.; Guerra, R. C.; Tuan, N. M.
2017-01-01
The main aim of this work is to obtain Heisenberg uncertainty principles for a specific oscillatory integral operator which representatively exhibits different parameters on their sine and cosine phase components. Additionally, invertibility theorems, Parseval type identities and Plancherel type theorems are also obtained.
Spin-1 Heisenberg ferromagnet using pair approximation method
Mert, Murat; Mert, Gülistan; Kılıç, Ahmet
2016-06-08
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.
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.
NASA Astrophysics Data System (ADS)
Wan, Yuan; Gingras, Michel J. P.
2016-11-01
We study the pyrochlore Heisenberg antiferromagnet with additional positive biquadratic interaction in the semiclassical limit. The classical ground-state manifold of the model contains an extensively large family of noncoplanar spin states known as "color ice states." Starting from a color ice state, a subset of spins may rotate collectively at no energy cost. Such excitation may be viewed in this three-dimensional system as a "membranelike" analog of the well-known weathervane modes in the classical kagome Heisenberg antiferromagnet. We investigate the weathervane modes in detail and elucidate their physical properties. Furthermore, we study the order by disorder phenomenon in this model, focusing on the role of harmonic fluctuations. Our computationally limited phase space search suggests that quantum fluctuations select three different states as the magnitude of the biquadratic interaction increases relative to the bilinear interaction, implying a sequence of phase transitions solely driven by fluctuations.
Interplay of light and heavy impurities in a fusion device
NASA Astrophysics Data System (ADS)
Gaja, M.; Tokar, M. Z.
2017-02-01
‘Breathing’ activity observed in the Large Helical Device stellarator is characterized by macro-scale oscillations of diverse plasma parameters such as the radiation losses from heavy (iron) and light (carbon and oxygen) impurities, electron density, temperature and the power absorbed in the plasma from neutral beam. They provide an example of a complex behavior in fusion plasmas triggered by the synergy effects from impurities of different species. A one-dimensional non-stationary model, describing the transport across flux surfaces in the plasma of the main and impurity neutral and charged particles, as well as of the thermal energy with the heat absorption from the neutral beam, radiation of high-Z ions from the plasma core and of low-Z impurities from the edge, is elaborated. The model is numerically realized, by applying the finite volume and ‘progonga’ methods to integrate the system of non-linearly coupled transport equations. The results of simulations presented reproduce qualitatively and essentially quantitatively the observations. The model allows prediction of the plasma and impurity environment conditions under which one has to expect ‘breathing’ oscillations.
Impurity poloidal asymmetries and plasma rotation in the PDX Tokamak
NASA Astrophysics Data System (ADS)
Brau, K.
Vertical poloidal asymmetries of carbon and oxygen in the PDX Tokamak were monitored under a variety of discharge conditions in circular plasmas. Near the edge of the plasma and in the region beyond the limiter, the asymmetries appear to be caused by local impurity recycling, variations in the length of the emitting region, and effects due to vertical ion drifts. In the case of C V impurities, the sign and magnitude of the asymmetry is in qualitative agreement with the predictions of a quasi-neoclassical fluid model of impurity transport. A two dimensional computer code is used to simulate different models of poloidal asymmetries, including: (1) poloidally asymmetric source function, (2) charge exchange recombination with neutral hydrogen, (3) poloidally asymmetric electron ensity and temperature profiles, (4) poloidally varying anomalous radial diffusion coefficient, and (5) the quasi-neoclassical fluid model.
Calder, Stuart A.; Kim, J. W.; Taylor, Alice E.; Upton, M. H.; Casa, D.; Cao, Guixin; Mandrus, D.; Lumsden, Mark D.; Christianson, Andrew D.
2016-12-28
The dispersive magnetic excitations in Sr_{2}IrO_{4} have previously been well described within an isospin-1/2 Heisenberg model on a square lattice that revealed parallels with La_{2}CuO_{4}. In this paper, we investigate the inelastic spectra of Sr_{2}Ir_{0.8}Ru_{0.2}O_{4} with resonant inelastic x-ray scattering (RIXS) at the Ir L_{3} edge. The results are well described using linear spin-wave theory within a similar Heisenberg model applicable to Sr_{2}IrO_{4}; however, the disorder induced by the substitution of 20% Ir^{4+} ions for Ru^{4+} removes longer range exchange interactions. A large spin gap (40 meV) is measured indicating strong anisotropy from spin-orbit coupling that is manifest due to the altered magnetic structure in Sr_{2}Ir_{0.8}Ru_{0.2}O_{4} with c-axis aligned moments compared to the basal plane moments in the parent. Finally, collectively the results indicate the robustness of a Heisenberg model description even when the magnetic structure is altered and the J_{eff} = 1/2 moments are diluted.
Nocera, Alberto; Patel, Niravkumar D.; Fernandez-Baca, Jaime A.; ...
2016-11-28
In this paper, we study the effects of charge degrees of freedom on the spin excitation dynamics in quasi-one-dimensional magnetic materials. Using the density matrix renormalization group method, we calculate the dynamical spin structure factor of the Hubbard model at half electronic filling on a chain and on a ladder geometry, and compare the results with those obtained using the Heisenberg model, where charge degrees of freedom are considered frozen. For both chains and two-leg ladders, we find that the Hubbard model spectrum qualitatively resembles the Heisenberg spectrum—with low-energy peaks resembling spinonic excitations—already at intermediate on-site repulsion as small asmore » U/t ~ 2–3, although ratios of peak intensities at different momenta continue evolving with increasing U/t converging only slowly to the Heisenberg limit. Finally, we discuss the implications of these results for neutron scattering experiments and we propose criteria to establish the values of U/t of quasi-one-dimensional systems described by one-orbital Hubbard models from experimental information.« less
NASA Astrophysics Data System (ADS)
Nocera, A.; Patel, N. D.; Fernandez-Baca, J.; Dagotto, E.; Alvarez, G.
2016-11-01
We study the effects of charge degrees of freedom on the spin excitation dynamics in quasi-one-dimensional magnetic materials. Using the density matrix renormalization group method, we calculate the dynamical spin structure factor of the Hubbard model at half electronic filling on a chain and on a ladder geometry, and compare the results with those obtained using the Heisenberg model, where charge degrees of freedom are considered frozen. For both chains and two-leg ladders, we find that the Hubbard model spectrum qualitatively resembles the Heisenberg spectrum—with low-energy peaks resembling spinonic excitations—already at intermediate on-site repulsion as small as U /t ˜2 -3 , although ratios of peak intensities at different momenta continue evolving with increasing U /t converging only slowly to the Heisenberg limit. We discuss the implications of these results for neutron scattering experiments and we propose criteria to establish the values of U /t of quasi-one-dimensional systems described by one-orbital Hubbard models from experimental information.
Nocera, Alberto; Patel, Niravkumar D.; Fernandez-Baca, Jaime A.; Dagotto, Elbio R.; Alvarez, Gonzalo
2016-11-28
In this paper, we study the effects of charge degrees of freedom on the spin excitation dynamics in quasi-one-dimensional magnetic materials. Using the density matrix renormalization group method, we calculate the dynamical spin structure factor of the Hubbard model at half electronic filling on a chain and on a ladder geometry, and compare the results with those obtained using the Heisenberg model, where charge degrees of freedom are considered frozen. For both chains and two-leg ladders, we find that the Hubbard model spectrum qualitatively resembles the Heisenberg spectrum—with low-energy peaks resembling spinonic excitations—already at intermediate on-site repulsion as small as U/t ~ 2–3, although ratios of peak intensities at different momenta continue evolving with increasing U/t converging only slowly to the Heisenberg limit. Finally, we discuss the implications of these results for neutron scattering experiments and we propose criteria to establish the values of U/t of quasi-one-dimensional systems described by one-orbital Hubbard models from experimental information.
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.
Excitation spectra of generalized antiferromagnetic Heisenberg spin chains (abstract)
NASA Astrophysics Data System (ADS)
Parkinson, J. B.; Bonner, J. C.
1988-04-01
We compare the excitation spectra in the presence of a magnetic field of a number of integrable (exactly solvable) and nonintegrable quantum spin chains of various spin value s. The archetypal Bethe-ansatz integrable model is the s= 1/2 Heisenberg antiferromagnet (HB AFM). The excitation spectra are characterized by a soft mode which tracks across the Brillouin zone as the field increases to its saturation value. A class of Bethe-ansatz integrable models with SU(2) symmetry and the general spin s display excitation spectra qualitatively similar to the spin- 1/2 model above, for all s. A second class of Bethe-ansatz integrable models has SU(n) symmetry, where n=2s+1. Like the SU(2) integrable chains, these models have gapless excitation spectra, but the basic Brillouin zone changes from k=±2π/(2s+1)a. Studies show that periodicity of the SU(3) member of the class changes (increases) as the field increases to saturation. For both classes of integrable models, there is a single type of excitation pattern which is generically similar for all s. In the case of the other models, on the other hand, numerical studies show that the excitations divide into at least two distinct classes. In the case of the s=1 HB AFM, at high fields (corresponding to SzT=N,N-1, . . .,N/2) the excitations map approximately onto the complete set of excitations for s= 1/2 , whereas at low fields (SzT=N/2,N/2-1,. . .,0) the excitations have notable classical character. In the case of the s=1 model with pure biquadratic exchange, one set of excitations, corresponding to SzT even (SzT=N,N-2,. . .,2,0), again shows an approximate mapping to the complete excitation set for s= 1/2 . The second class of excitations, corresponding to SzT odd, are very different. They are symmetric about k=±π/2a for all SzT, i.e., correspond to a basic Brillouin zone of ±π/2a.
Entanglement in quantum impurity problems is nonperturbative
NASA Astrophysics Data System (ADS)
Saleur, H.; Schmitteckert, P.; Vasseur, R.
2013-08-01
We study the entanglement entropy of a region of length 2L with the remainder of an infinite one-dimensional gapless quantum system in the case where the region is centered on a quantum impurity. The coupling to this impurity is not scale invariant, and the physics involves a crossover between weak- and strong-coupling regimes. While the impurity contribution to the entanglement has been computed numerically in the past, little is known analytically about it, since in particular the methods of conformal invariance cannot be applied because of the presence of a crossover length. We show in this paper that the small coupling expansion of the entanglement entropy in this problem is quite generally plagued by strong infrared divergences, implying a nonperturbative dependence on the coupling. The large coupling expansion turns out to be better behaved, thanks to powerful results from the boundary CFT formulation and, in some cases, the underlying integrability of the problem. However, it is clear that this expansion does not capture well the crossover physics. In the integrable case—which includes problems such as an XXZ chain with a modified link, the interacting resonant level model or the anisotropic Kondo model—a nonperturbative approach is in principle possible using form factors. We adapt in this paper the ideas of Cardy [J. Stat. Phys.JSTPBS0022-471510.1007/s10955-007-9422-x 130, 129 (2008)] and Castro-Alvaredo and Doyon [J. Stat. Phys.JSTPBS0022-471510.1007/s10955-008-9664-2 134, 105 (2009)] to the gapless case and show that, in the rather simple case of the resonant level model, and after some additional renormalizations, the form-factors approach yields remarkably accurate results for the entanglement all the way from short to large distances. This is confirmed by detailed comparison with numerical simulations. Both our form factor and numerical results are compatible with a nonperturbative form at short distance.
Interactions between impurities and breather-pairs in a nonlinear lattice
NASA Astrophysics Data System (ADS)
Lin, Han; Chen, Weizhong; Lu, Lei; Wei, Rongjue
2003-09-01
Based on the Frenkel-Kontorova (FK) model with a δ-impurity, this Letter investigates the interactions between impurities and breather-pairs in a nonlinear pendulum chain driven by a vertical vibration. The numerical results show that a long impurity in pendulum length can absorb more energy into the chain and upgrade the energy level of the breather-pair, when the driving frequency is slight lower than that of parametric resonance of the perfect pendulums, while a short one plays a counteractive role. As the chain is driven at a higher frequency, the effect of impurities turns reverse, which shows a clear symmetry and equivalency between long and short impurities. The main results including the effect and the symmetry of impurities generalize the conclusion on the single breather to the breather-pair.
Deformed Heisenberg algebra, fractional spin fields, and supersymmetry without fermions
Plyushchay, M.S.
1996-02-01
Within a group-theoretical approach to the description of (2+1)-dimensional anyons, the minimal covariant set of linear differential equations is constructed for the fractional spin fields with the help of the deformed Heisenberg algebra (DHA), [{ital a}{sup {minus}},{ital a}{sup +}]=1+{nu}{ital K}, involving the Klein operator {ital K}, {l_brace}{ital K},{ital a}{sup {plus_minus}}{r_brace}=0, {ital K}{sup 2}=1. The connection of the minimal set of equations with the earlier proposed {open_quote}{open_quote}universal{close_quote}{close_quote} vector set of anyon equations is established. On the basis of this algebra, a bosonization of supersymmetric quantum mechanics is carried out. The construction comprises the cases of exact and spontaneously broken {ital N}=2 supersymmetry allowing us to realize a Bose{endash}Fermi transformation and spin-1/2 representation of SU(2) group in terms of one bosonic oscillator. The construction admits an extension to the case of OSp(2{parallel}2) supersymmetry, and, as a consequence, both applications of the DHA turn out to be related. The possibility of {open_quote}{open_quote}superimposing{close_quote}{close_quote} the two applications of the DHA for constructing a supersymmetric (2+1)-dimensional anyon system is discussed. As a consequential result we point out that the {ital osp}(2{parallel}2) superalgebra is realizable as an operator algebra for a quantum mechanical 2-body (nonsupersymmetric) Calogero model. Copyright {copyright} 1996 Academic Press, Inc.