Many-spin effects in inelastic neutron scattering and electron paramagnetic resonance of molecular nanomagnets

Many molecular magnetic clusters, such as single-molecule magnets, are characterized by spin ground states with defined total spin S exhibiting zero-field-splittings. In this work, the spectroscopic intensities of the transitions within the ground-state multiplet are analyzed. In particular, the effects of a mixing with higher-lying spin multiplets, which is produced by anisotropic interactions and is neglected in the standard single-spin description, are investigated systematically for the two experimental techniques of inelastic neutron scattering (INS) and electron paramagnetic resonance (EPR), with emphasis on the former technique. The spectroscopic transition intensities are calculated analytically by constructing corresponding effective spin operators perturbationally up to second order and consequently using irreducible tensor operator techniques. Three main effects of spin mixing are observed. Firstly, a pronounced dependence of the INS intensities on the momentum transfer Q, with a typical oscillatory behavior, emerges in first order, signaling the many-spin nature of the wave functions in exchange-coupled clusters. Secondly, as compared to the results of a first-order calculation, the intensities of the transitions within the spin multiplet are affected differently by spin mixing. This allows one, thirdly, to differentiate the higher-order contributions to the cluster magnetic anisotropy which come from the single-ion ligand-field terms and spin mixing, respectively. The analytical results are illustrated by means of the three examples of an antiferromagnetic heteronuclear dimer, the Mn-[3 x 3] grid molecule, and the single-molecule magnet Mn12.Comment: 18 pages, 3 figures, REVTEX4, to appear in PR

Homotopy colimits and global observables in Abelian gauge theory

We study chain complexes of field configurations and observables for Abelian gauge theory on contractible manifolds, and show that they can be extended to non-contractible manifolds by using techniques from homotopy theory. The extension prescription yields functors from a category of manifolds to suitable categories of chain complexes. The extended functors properly describe the global field and observable content of Abelian gauge theory, while the original gauge field configurations and observables on contractible manifolds are recovered up to a natural weak equivalence

Spin dynamics in molecular ring nanomagnets: Significant effect of acoustic phonons and magnetic anisotropies

The nuclear spin-lattice relaxation rate 1/T_1_ is calculated for magnetic ring clusters by fully diagonalizing their microscopic spin Hamiltonians. Whether the nearest-neighbor exchange interaction J is ferromagnetic or antiferromagnetic, 1/T_1_ versus temperature T in ring nanomagnets may be peaked at around k_B_T=|J| provided the lifetime broadening of discrete energy levels is in proportion to T^3^. Experimental findings for ferromagnetic and antiferromagnetic Cu^II^ rings are reproduced with crucial contributions of magnetic anisotropies as well as acoustic phonons.Comment: 5 pages with 5 figures embedded, to be published in J. Phys. Soc. Jpn. 75, No. 10 (2006

Thermal Transient Measurements of an Ultra-Low-Power MOX Sensor

This paper describes a system for the simultaneous dynamic control and thermal characterization of the heating of an Ultra Low Power (ULP) micromachined sensor. A Pulse Width Modulated (PWM) powering system has been realized using a microcontroller to characterize the thermal behavior of a device. Objectives of the research were to analyze the relation between the time period and duty cycle of the PWM signal and the operating temperature of such ULP micromachined systems, to observe the thermal time constants of the device during the heating phase and to measure the total thermal conductance. Constant target heater resistance experiments highlighted that an approximately constant heater temperature at regime can only be obtained if the time period of the heating signal is smaller than 50 s. Constant power experiments show quantitatively a thermal time constant that decreases during heating in a range from 2.3 ms to 2 ms as a function of an increasing temperature rise between the ambient and the operating temperature. Moreover, we calculated the total thermal conductance. Finally, repeatability of experimental results was assessed by guaranteeing the standard deviation of the controlled temperature which was within C in worst case conditions

Rotational modes in molecular magnets with antiferromagnetic Heisenberg exchange

In an effort to understand the low temperature behavior of recently synthesized molecular magnets we present numerical evidence for the existence of a rotational band in systems of quantum spins interacting with nearest-neighbor antiferromagnetic Heisenberg exchange. While this result has previously been noted for ring arrays with an even number of spin sites, we find that it also applies for rings with an odd number of sites as well as for all of the polytope configurations we have investigated (tetrahedron, cube, octahedron, icosahedron, triangular prism, and axially truncated icosahedron). It is demonstrated how the rotational band levels can in many cases be accurately predicted using the underlying sublattice structure of the spin array. We illustrate how the characteristics of the rotational band can provide valuable estimates for the low temperature magnetic susceptibility.Comment: 14 pages, 7 figures, to be published in Phys. Rev.

Pd2Si surfaces thermally enriched in silicon: Evidence of new Si:Pd bonds

Thermally induced Si accumulation onto Pd2Si surfaces has been studied for the first time with synchrotron radiation photoemission. Evidence is given of the formation of strong bonds between Si and Pd in the transition region between Pd2Si and Si. The results are discussed in view of the Pd-Si interfaces prepared by annealing in device technology

Model Exact Low-Lying States and Spin Dynamics in Ferric Wheels; Fe6_6 to Fe12_{12}

Using an efficient numerical scheme that exploits spatial symmetries and spin-parity, we have obtained the exact low-lying eigenstates of exchange Hamiltonians for ferric wheels up to Fe$_{12}$. The largest calculation involves the Fe$_{12}$ ring which spans a Hilbert space dimension of about 145 million for M$_s$=0 subspace. Our calculated gaps from the singlet ground state to the excited triplet state agrees well with the experimentally measured values. Study of the static structure factor shows that the ground state is spontaneously dimerized for ferric wheels. Spin states of ferric wheels can be viewed as quantized states of a rigid rotor with the gap between the ground and the first excited state defining the inverse of moment of inertia. We have studied the quantum dynamics of Fe$_{10}$ as a representative of ferric wheels. We use the low-lying states of Fe$_{10}$ to solve exactly the time-dependent Schr\"odinger equation and find the magnetization of the molecule in the presence of an alternating magnetic field at zero temperature. We observe a nontrivial oscillation of magnetization which is dependent on the amplitude of the {\it ac} field. We have also studied the torque response of Fe$_{12}$ as a function of magnetic field, which clearly shows spin-state crossover.Comment: Revtex, 24 pages, 8 eps figure

Geometrization of Quantum Mechanics

We show that it is possible to represent various descriptions of Quantum Mechanics in geometrical terms. In particular we start with the space of observables and use the momentum map associated with the unitary group to provide an unified geometrical description for the different pictures of Quantum Mechanics. This construction provides an alternative to the usual GNS construction for pure states.Comment: 16 pages. To appear in Theor. Math. Phys. Some typos corrected. Definition 2 in page 5 rewritte

Trend of incidence, subsite distribution and staging of colorectal neoplasms in the 15-year experience of a specialised cancer registry

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Subclinical liver fibrosis in patients with idiopathic 1 pulmonary fibrosis.

Background - Data on the presence of subclinical fibrosis across multiple organs in patients with idiopathic lung fibrosis (IPF) are lacking. Our study aimed at investigating through hepatic transient elastography (HTE) the prevalence and clinical impact of subclinical liver fibrosis in a cohort of patients with IPF. Methods - Patients referred to the Centre for Rare Lung Disease of the University Hospital of Modena (Italy) from March 2012 to February 2013with established diagnosis of IPF and without a documented history of liver diseases were consecutively enrolled and underwent HTE. Based on hepatic stiffness status as assessed through METAVIR score patients were categorized as \u201c with liver fibrosis \u201d (corresponding to a METAVIR score of F1-F4) and \u201c without liver fibrosis\u201d (METAVIR F0). Potential predictors of liver fibrosis were investigated through logistic regression model among clinical and serological variables. The overall survival (OS) was assessed according to liver fibrosis and multivariate Cox regression analysis was used to identify independent predictors. Results - In 13 out of 37 patients (35%) with IPF a certain degree of liver fibrosis was documented.No correlation was found between liver stiffness and clinical-functional parameters. OS was lower in patients \u2018 with liver fibrosis\u2019 than in patients \u2018 without liver fibrosis\u2019 (median months 33[23-55] vs. 63[26-94], p=0.038). Patients \u2018 with liver fibrosis\u2019 presented a higher risk of death at seven years as compared to patients \u2018without liver fibrosis\u2019 (HR=2.6, 95%CI[1.003\u20136.7],p= 0.049). Higher level of AST to platelet ratio Index (APRI)was an independent predictor of survival (HR=4.52 95%CI[1.3\u201315.6], p=0.02). Conclusions - In our cohort, more than one third of IPF patients had concomitant subclinical liver fibrosis that negatively affected OS. These preliminary claims further investigation aimed at clarifying the mechanisms beyond multiorgan fibrosis and its clinical implication in patients with IPF