Uniform Susceptibility Research Articles

Low-Temperature Magnetism of Gold Nano Particles Contained in Electrochemical Sugar Recognition System

Low-temperature magnetic properties were investigated on the gold nano particles (GNPs) with an average size of 11.5 nm, assembled with molecules of ruthenium complex (Ru0), and phenylboronic acid (B0) by the proton nuclear magnetic resonance ( <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">1</sup> H-NMR) and susceptibility measurements. The temperature dependence of the NMR shift and the uniform susceptibility was described as the sum of the Curie-Weiss term and a positive constant term. From the former, the average number of Ru0 on each GNP was estimated to be 118, which is 23% of the calculation. The finite positive constant term shows a clear contrast with the well-known fact that the bulk gold is diamagnetic. Finally, a disappearance of the motional narrowing effect in the proton NMR spectra below 60 K indicates that the wavering motion of Ru0 complexes on GNP at room temperature is frozen at low temperatures.

Magnetic susceptibility of quantum spin systems calculated by sine square deformation: One-dimensional, square lattice, and kagome lattice Heisenberg antiferromagnets

We develop a simple and unbiased numerical method to obtain the uniform susceptibility of quantum many body systems. When a Hamiltonian is spatially deformed by multiplying it with a sine square function that smoothly decreases from the system center toward the edges, the size-scaling law of the excitation energy is drastically transformed to a rapidly converging one. Then, the local magnetization at the system center becomes nearly size independent; the one obtained for the deformed Hamiltonian of a system length as small as L=10 provides the value obtained for the original uniform Hamiltonian of L=100. This allows us to evaluate a bulk magnetic susceptibility by using the magnetization at the center by existing numerical solvers without any approximation, parameter tuning, or the size-scaling analysis. We demonstrate that the susceptibilities of the spin-1/2 antiferromagnetic Heisenberg chain and square lattice obtained by our scheme at L=10 agree within 10 to (-3) with exact analytical and numerical solutions for L=infinite down to temperature of 0.1 times the coupling constant. We apply this method to the spin-1/2 kagome lattice Heisenberg antiferromagnet which is of prime interest in the search of spin liquids.

Hydrogenation-driven formation of local magnetic moments in FeO2Hx

The electronic and magnetic properties of recently discovered new important constituent of the Earth's lower mantle FeO2H were investigated by means of the density functional theory combined with the dynamical mean field theory (DFT+DMFT). Addition of the hydrogen to the parent FeO2 compound, which is an uncorrelated bad metal, destroys the most important ingredient of its electronic structure - O-O molecular orbitals. In effect physical properties of FeO2 and FeO2H turn to be completely different, FeO2H is a correlated metal with a mass renormalization, m*/m ~ 2, and magnetic moments on Fe ions become well localized with the Curie-Weiss type of uniform magnetic susceptibility.

Magnetic Phase Transition in MnSi on the Base of the LSDA + U + SO Calculations of the Electronic Structure and the Spin-Fluctuation Theory

Spin states appearing near the magnetic phase transition in helicoidal ferromagnet MnSi are studied on the basis of the spin-fluctuation theory and the LSDA + U + SO calculations of the electronic structure. The temperature dependence of the uniform magnetic susceptibility is calculated near the magnetic phase transition temperature, and the result agrees well with the experiment. Spin correlators corresponding to various solutions of the equation of magnetic state are determined in the region of the magnetic phase transition expanded in temperature. It is shown that, in this region, a helicoidal short-range order appears in the form of the superposition of left and right spin spirals with stochastic weight coefficients. It is shown that the magnetic susceptibility divergences on the helicoid wave vector at the temperature of disappearance of local magnetization and during the transition to the paramagnetic state.

Two-step melting of three-sublattice order in S = 1 easy-axis triangular lattice antiferromagnets

We consider $S=1$ triangular lattice Heisenberg antiferromagnets with a strong single-ion anisotropy $D$ that dominates over the nearest-neighbour antiferromagnetic exchange $J$. In this limit of small $J/D$, we study low temperature ($T \sim J \ll D$) properties of such magnets by employing a low-energy description in terms of hard-core bosons with nearest neighbour repulsion $V \approx 4J + J^2/D$ and nearest neighbour unfrustrated hopping $t \approx J^2/2D$. Using a cluster Stochastic Series Expansion (SSE) algorithm to perform sign-problem-free quantum Monte Carlo (QMC) simulations of this effective model, we establish that the ground-state three-sublattice order of the easy-axis spin-density $S^z(\vec{r})$ melts in zero field ($B=0$) in a {\em two-step} manner via an intermediate temperature phase characterized by power-law three-sublattice order with a temperature dependent exponent $\eta(T) \in [\frac{1}{9}, \frac{1}{4}]$. For $\eta(T) < \frac{2}{9}$ in this phase, we find that the uniform easy-axis susceptibility of an $L \times L$ sample diverges as $\chi_L \sim L^{2-9 \eta}$ at $B=0$, consistent with a recent prediction that the thermodynamic susceptibility to a uniform field $B$ along the easy axis diverges at small $B$ as $\chi_{\rm easy-axis}(B) \sim B^{-\frac{4-18\eta}{4-9\eta}}$ in this regime.

Thermodynamics of the kagome-lattice Heisenberg antiferromagnet with arbitrary spin S

We use a second-order rotational invariant Green's function method (RGM) and the high-temperature expansion (HTE) to calculate the thermodynamic properties, of the kagome-lattice spin-$S$ Heisenberg antiferromagnet with nearest-neighbor exchange $J$. While the HTE yields accurate results down to temperatures of about $T/S(S+1) \sim J$, the RGM provides data for arbitrary $T \ge 0$. For the ground state we use the RGM data to analyze the $S$-dependence of the excitation spectrum, the excitation velocity, the uniform susceptibility, the spin-spin correlation functions, the correlation length, and the structure factor. We found that the so-called $\sqrt{3}\times\sqrt{3}$ ordering is more pronounced than the $q=0$ ordering for all values of $S$. In the extreme quantum case $S=1/2$ the zero-temperature correlation length is only of the order of the nearest-neighbor separation. Then we study the temperature dependence of several physical quantities for spin quantum numbers $S=1/2,1,\dots,7/2$. As increasing $S$ the typical maximum in the specific heat and in the uniform susceptibility are shifted towards lower values of $T/S(S+1)$ and the height of the maximum is growing. The structure factor ${\cal S}(\mathbf{q})$ exhibits two maxima at magnetic wave vectors $\mathbf{q}={\mathbf{Q}_i}, i=0,1,$ corresponding to the $q=0$ and $\sqrt{3}\times\sqrt{3}$ state. We find that the $\sqrt{3}\times \sqrt{3}$ short-range order is more pronounced than the $q=0$ short-range order for all temperatures $T \ge 0$. For the spin-spin correlation functions, the correlation lengths and the structure factors, we find a finite low-temperature region $0 \le T < T^*\approx a/S(S+1)$, $a \approx 0.2$, where these quantities are almost independent of $T$.

Coexistence of Velocity Renormalization and Ferrimagnetic Fluctuation in the Organic Dirac Electron System α-(BEDT-TTF)2I3

We evaluate the uniform spin susceptibility in an extended Hubbard model describing α-(BEDT-TTF)2I3. Employing the Fock-type self-energy with the long-range Coulomb interaction and the random phase...

Dynamical properties of the S=12 random Heisenberg chain

We use numerical techniques to study dynamical properties at finite temperature ($T$) of the Heisenberg spin chain with random exchange couplings, which realizes the random singlet (RS) fixed point in the low-energy limit. Specifically, we study the dynamic spin structure factor $S(q,\omega)$, which can be probed directly by inelastic neutron scattering experiments and, in the limit of small $\omega$, in nuclear magnetic resonance (NMR) experiments through the spin-lattice relaxation rate $1/T_1$. Our work combines three complementary methods: exact diagonalization, matrix-product-state algorithms, and stochastic analytic continuation of quantum Monte Carlo results in imaginary time. Unlike the uniform system, whose low-energy excitations at low $T$ are restricted to $q$ close to $0$ and $\pi$, our study reveals a continuous narrow band of low-energy excitations in $S(q,\omega)$, extending throughout the Brillouin zone. Close to $q=\pi$, the scaling properties of these excitations are well captured by the RS theory, but we also see disagreements with some aspects of the predicted $q$-dependence further away from $q=\pi$. Furthermore we find spin diffusion effects close to $q=0$ that are not contained within the RS theory but give non-negligible contributions to the mean $1/T_1$. To compare with NMR experiments, we consider the distribution of the local $1/T_1$ values, which is broad, approximately described by a stretched exponential. The mean value first decreases with $T$, but starts to increase and diverge below a crossover temperature. Although a similar divergent behavior has been found for the static uniform susceptibility, this divergent behavior of $1/T_1$ has never been seen in experiments. Our results show that the divergence of the mean $1/T_1$ is due to rare events in the disordered chains and is concealed in experiments, where the typical $1/T_1$ value is accessed.

Antibiotic and heavy metal resistance in enterococci from coastal marine sediment

Sediment samples from three coastal sites - two beach resorts (Beach 1 and Beach 2 sites) and an area lying between an oil refinery and a river estuary (Estuarine site) - were analyzed for antibiotic- and heavy metal (HM)-resistant enterococci.A total of 123 enterococci, 36 E. faecium, 34 E. casseliflavus, 33 E. hirae, 5 E. faecalis, 3 E. durans, 3 E. gallinarum, and 9 Enterococcus spp, were recovered. Strains resistant to erythromycin, tetracycline and quinupristin/dalfopristin (Q/D) were recovered from all sites, whereas multidrug-resistant isolates were recovered only from “Beach 2” (14%) and “Estuarine” (3.7%). As regards HM resistance, the strains showed a high frequency (68%) of cadmium and/or copper resistance and uniform susceptibility to mercury. The prevalence of cadmium-resistant strains was significantly higher among erythromycin-resistant than among erythromycin-susceptible strains. A significant association between cadmium or copper resistance and Q/D resistance was also observed at “Estuarine” site. The levels of the two HMs in sediment from all sites were fairly low, ranging from 0.070 to 0.126 μg/g, for cadmium and from 1.00 to 7.64 μg/g for copper. Mercury was always undetectable. These findings are consistent with reports that low HM concentrations may contribute to co-selection of antibiotic-resistant bacterial strains, including enterococci.

Precursors of the insulating state in the square-lattice Hubbard model

We study the two-dimensional square lattice Hubbard model for small to moderate interaction strengths $1\leq U/t\leq 4$ by means of the ladder dual fermion approach. The non-local correlations beyond dynamical mean-field theory lower the potential energy, lead to a maximum in the uniform susceptibility and induce a pseudogap in the density of states. While the self-energy exhibits precursors of a possible insulating phase linked to the appearance of long-range fluctuations, the metallic phase persists within the accessible temperature range. Finite-size effects affect results qualitatively. Upper bounds on the crossover temperature are found to be significantly lower than previously reported dynamical vertex approximation results at $U/t=1$.

Electronic Structure and Magnetic Phase Transition in Helicoidal Fe1 - xCo x Si Ferromagnets

LSDA + U + SO calculations of the electronic structure of helicoidal Fe1 - xCo x Si ferromagnets within the virtual crystal approximation have been supplemented with the consideration of the Dzyaloshinski-Moriya interaction and ferromagnetic fluctuations of the spin density of collective d electrons with the Hubbard interactions at Fe and Co atoms randomly distributed over sites. The magnetic-state equation in the developed model describes helicoidal ferromagnetism and its disappearance accompanied by the occurrence of a maximum of uniform magnetic susceptibility at temperature T C and chiral fluctuations of the local magnetization at T > T C . The reasons why the magnetic contribution to the specific heat at the magnetic phase transition changes monotonically and the volume coefficient of thermal expansion (VCTE) at low temperatures is negative and has a wide minimum near T C have been investigated. It is shown that the VCTE changes sign when passing to the paramagnetic state (at temperature T S ).

Toxicity and sublethal effects of allyl isothiocyanate to Sitophilus zeamais on population development and walking behavior

Essential oils and their derivatives have been suggested as promising alternatives for the control of insect pests. However, the potential sublethal effects of these substances on insects can contribute to the development of resistance strategies that could compromise its control. This study aimed to evaluate the toxicity of allyl isothiocyanate (AITC) on adults of five populations of Sitophilus zeamais (Coleoptera: Curculionidae). The effects of sublethal doses of AITC on the locomotor behavior and development of the insect population were also evaluated. The AITC toxicity was determined by a bioassay for lethal concentrations, wherein the mortality curves were established using increasing concentrations of AITC ranging from 0.5 to 10.0 μL L−1. The locomotor behavior was evaluated by distance walked, walking velocity and resting time. In addition, the daily and cumulative emergencies for all populations were evaluated. The LC50 found indicated a uniform susceptibility among the populations studied, without any indication of resistance to the AITC. All populations of S. zeamais had their population growth rates affected by sublethal exposure to AITC, presenting delayed accumulated emergence and a reduction up to 80.9% in the daily emergence. Although differences have been observed in the pattern of walking of the populations, treatment with AITC did not influence their locomotor behavior. The results indicate a lower risk of resistance development in the short term, suggesting that AITC can be a potential alternative for the control of S. zeamais on stored products.

Магнитный фазовый переход в MnSi на основе LSDA+U +SO-расчетов электронной структуры и спин-флуктуационной теории

AbstractSpin states appearing near the magnetic phase transition in helicoidal ferromagnet MnSi are studied on the basis of the spin-fluctuation theory and the LSDA + U + SO calculations of the electronic structure. The temperature dependence of the uniform magnetic susceptibility is calculated near the magnetic phase transition temperature, and the result agrees well with the experiment. Spin correlators corresponding to various solutions of the equation of magnetic state are determined in the region of the magnetic phase transition expanded in temperature. It is shown that, in this region, a helicoidal short-range order appears in the form of the superposition of left and right spin spirals with stochastic weight coefficients. It is shown that the magnetic susceptibility divergences on the helicoid wave vector at the temperature of disappearance of local magnetization and during the transition to the paramagnetic state.

Электронная структура и магнитный фазовый переход в геликоидальных ферромагнетиках Fe-=SUB=-1-x-=/SUB=-Co-=SUB=-x-=/SUB=-Si

AbstractLSDA + U + SO calculations of the electronic structure of helicoidal Fe_1 - x Co_ x Si ferromagnets within the virtual crystal approximation have been supplemented with the consideration of the Dzyaloshinski-Moriya interaction and ferromagnetic fluctuations of the spin density of collective d electrons with the Hubbard interactions at Fe and Co atoms randomly distributed over sites. The magnetic-state equation in the developed model describes helicoidal ferromagnetism and its disappearance accompanied by the occurrence of a maximum of uniform magnetic susceptibility at temperature T _ C and chiral fluctuations of the local magnetization at T &gt; T _ C . The reasons why the magnetic contribution to the specific heat at the magnetic phase transition changes monotonically and the volume coefficient of thermal expansion (VCTE) at low temperatures is negative and has a wide minimum near T _ C have been investigated. It is shown that the VCTE changes sign when passing to the paramagnetic state (at temperature T _ S ).

Zn induced in-gap electronic states in La214 probed by uniform magnetic susceptibility: relevance to the suppression of superconducting Tc

Substitution of isovalent non-magnetic defects, such as Zn, in the CuO2 plane strongly modifies the magnetic properties of strongly electron correlated hole doped cuprate superconductors. The reason for enhanced uniform magnetic susceptibility, χ, in Zn substituted cuprates is debatable. Generally the defect induced magnetic behavior has been analyzed mainly in terms of two somewhat contrasting scenarios. The first one is due to independent localized moments appearing in the vicinity of Zn arising because of the strong electronic/magnetic correlations present in the host compound and the second one is due to transfer of quasiparticle (QP) spectral weight and creation of weakly localized low-energy electronic states associated with each Zn atom in place of an in-plane Cu. If the second scenario is correct, one should expect a direct correspondence between Zn induced suppression of the superconducting transition temperature, Tc, and the extent of the enhanced magnetic susceptibility at low temperature. In this case, the low-T enhancement of χ would be due to weakly localized QP states at low energy and these electronic states will be precluded from taking part in Cooper pairing. We explore this second possibility by analyzing the χ(T) data for La2−xSrxCu1−yZnyO4 with different hole contents, p (=x), and Zn concentrations (y) in this paper. The results of our analysis support this scenario.

Hidden fluctuations close to a quantum bicritical point

In this paper we describe physical properties arising in the vicinity of two coupled quantum phase transitions. We consider a phenomenological model based on two scalar order parameter fields locally coupled biquadratically and having a common quantum critical point as a function of a quantum tuning parameter such as pressure or magnetic field. A self-consistent treatment suggests that the uniform static susceptibilities of the two order parameter fields may have the same qualitative form at low temperature even where the forms differ sharply in the absence of the biquadratic coupling. The possible limitations of the self-consistent analysis leading to this prediction are considered.

Thermodynamics of the pyrochlore Heisenberg ferromagnet with arbitrary spin S

We use the rotation-invariant Green's function method (RGM) and the high-temperature expansion (HTE) to study the thermodynamic properties of the spin-$S$ Heisenberg ferromagnet on the pyrochlore lattice. We examine the excitation spectra as well as various thermodynamic quantities, such as the order parameter (magnetization), the uniform static susceptibility, the correlation length, the spin-spin correlations, and the specific heat, as well as the static and dynamic structure factors. We discuss the influence of the spin quantum number $S$ on the temperature dependence of these quantities. We compare our results for the pyrochlore ferromagnet with the corresponding ones for the simple-cubic lattice both having the same coordination number $z=6$. We find a significant suppression of magnetic ordering for the pyrochlore lattice due to its geometry with corner-sharing tetrahedra.

High-temperature thermodynamics of the honeycomb-lattice Kitaev-Heisenberg model: A high-temperature series expansion study

We develop high temperature series expansions for the thermodynamic properties of the honeycomb-lattice Kitaev-Heisenberg model. Numerical results for uniform susceptibility, heat capacity and entropy as a function of temperature for different values of the Kitaev coupling $K$ and Heisenberg exachange coupling $J$ (with $|J|\le |K|$) are presented. These expansions show good convergence down to a temperature of a fraction of $K$ and in some cases down to $T=K/10$. In the Kitaev exchange dominated regime, the inverse susceptibility has a nearly linear temperature dependence over a wide temperature range. However, we show that already at temperatures $10$-times the Curie-Weiss temperature, the effective Curie-Weiss constant estimated from the data can be off by a factor of 2. We find that the magnitude of the heat capacity maximum at the short-range order peak, is substantially smaller for small $J/K$ than for $J$ of order or larger than $K$. We suggest that this itself represents a simple marker for the relative importance of the Kitaev terms in these systems. Somewhat surprisingly, both heat capacity and susceptibility data on Na$_2$IrO$_3$ are consistent with a dominant {\it antiferromagnetic} Kitaev exchange constant of about $300-400$ $K$.

Gapped paramagnetic state in a frustrated spin-[formula omitted] Heisenberg antiferromagnet on the cross-striped square lattice

We implement the coupled cluster method to very high orders of approximation to study the spin-12J1–J2 Heisenberg model on a cross-striped square lattice. Every nearest-neighbour pair of sites on the square lattice has an isotropic antiferromagnetic exchange bond of strength J1>0, while the basic square plaquettes in alternate columns have either both or neither next-nearest-neighbour (diagonal) pairs of sites connected by an equivalent frustrating bond of strength J2≡αJ1>0. By studying the magnetic order parameter (i.e., the average local on-site magnetization) in the range 0≤α≤1 of the frustration parameter we find that the quasiclassical antiferromagnetic Néel and (so-called) double Néel states form the stable ground-state phases in the respective regions α<α1ac=0.46(1) and α>α1bc=0.615(5). The double Néel state has Néel (⋯↑↓↑↓⋯) ordering along the (column) direction parallel to the stripes of squares with both or no J2 bonds, and spins alternating in a pairwise (⋯↑↑↓↓↑↑↓↓⋯) fashion along the perpendicular (row) direction, so that the parallel pairs occur on squares with both J2 bonds present. Further explicit calculations of both the triplet spin gap and the zero-field uniform transverse magnetic susceptibility provide compelling evidence that the ground-state phase over all or most of the intermediate regime α1ac<α<α1bc is a gapped state with no discernible long-range magnetic order.

Dichotomy between in-plane magnetic susceptibility and resistivity anisotropies in extremely strained BaFe2As2

High-temperature superconductivity in the Fe-based materials emerges when the antiferromagnetism of the parent compounds is suppressed by either doping or pressure. Closely connected to the antiferromagnetic state are entangled orbital, lattice, and nematic degrees of freedom, and one of the major goals in this field has been to determine the hierarchy of these interactions. Here we present the direct measurements and the calculations of the in-plane uniform magnetic susceptibility anisotropy of BaFe2As2, which help in determining the above hierarchy. The magnetization measurements are made possible by utilizing a simple method for applying a large symmetry-breaking strain, based on differential thermal expansion. In strong contrast to the large resistivity anisotropy above the antiferromagnetic transition at TN, the anisotropy of the in-plane magnetic susceptibility develops largely below TN. Our results imply that lattice and orbital degrees of freedom play a subdominant role in these materials.