178 research outputs found

    Local breaking of four-fold rotational symmetry by short-range magnetic order in heavily overdoped Ba(Fe1−x_{1-x}Cux_{x})2_{2}As2_{2}

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    We investigate Cu-doped Ba(Fe1−x_{1-x}Cux_x)2_2As2_2 with transport, magnetic susceptibility, and elastic neutron scattering measurements. In the heavily Cu-doped regime where long-range stripe-type antiferromagnetic order in BaFe2_2As2_2 is suppressed, Ba(Fe1−x_{1-x}Cux_x)2_2As2_2 (0.145 ≤x≤\leq x \leq 0.553) samples exhibit spin-glass-like behavior in magnetic susceptibility and insulating-like temperature dependence in electrical transport. Using elastic neutron scattering, we find stripe-type short-range magnetic order in the spin-glass region identified by susceptibility measurements. The persistence of short-range magnetic order over a large doping range in Ba(Fe1−x_{1-x}Cux_x)2_2As2_2 likely arises from local arrangements of Fe and Cu that favor magnetic order, with Cu acting as vacancies relieving magnetic frustration and degeneracy. These results indicate locally broken four-fold rotational symmetry, suggesting that stripe-type magnetism is ubiquitous in iron pnictides.Comment: accepted by Physical Review B Rapid Communication

    Aerosolization behavior of antimicrobial resistance in animal farms: a field study from feces to fine particulate matter

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    Antibiotic resistance genes (ARGs) and antibiotic-resistant bacteria (ARB) in animal feces can be released into the atmosphere via aerosolization, posing a high health risk to farm workers. So far, little attention has been paid to the characterization of the aerosolization process. In this study, fecal and fine particulate matter (PM2.5) samples were collected from 20 animal farms involving swine, cattle, layers, and broilers, and the ARGs, ARB, and human pathogenic bacteria (HPB) were loaded in these two media. The results showed that approximately 70% of ARGs, 60% of ARBs, and 43% of HPBs were found to be preferential aerosolization. The bioaerosolization index (BI) of target 30 ARGs varied from 0.04 to 460.07, and the highest value was detected from tetW. The highest BI values of erythromycin- and tetracycline-resistant bacteria were for Kocuria (13119) and Staphylococcus (24746), respectively, and the distribution of BI in the two types of dominant ARB was similar. Regarding the bioaerosolization behavior of HPB, Clostridium saccharolyticum WM1 was the most easily aerosolized pathogen in swine and broiler farms, and Brucella abortus strain CNM 20040339 had the highest value in cattle and layer farms. Notably, the highest BI values for ARGs, ARB, and HPB were universally detected on chicken farms. Most ARGs, ARB, and HPB positively correlated with animal age, stocking density, and breeding area. Temperature and relative humidity have significant effects on the aerosolization behavior of targets, and the effects of these two parameters on the same target are usually opposite. The results of this study provide a basis for a better understanding of the contribution of animal feces to airborne ARGs and HPBs in farms, as well as for controlling the transport of the fecal microbiome to the environment through the aerosolization pathway

    Grand Canonical Adaptive Resolution Simulation for Molecules with Electrons: A Theoretical Framework based on Physical Consistency

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    A theoretical scheme for the treatment of an open molecular system with electrons and nuclei is proposed. The idea is based on the Grand Canonical description of a quantum region embedded in a classical reservoir of molecules. Electronic properties of the quantum region are calculated at constant electronic chemical potential equal to that of the corresponding (large) bulk system treated at full quantum level. Instead, the exchange of molecules between the quantum region and the classical environment occurs at the chemical potential of the macroscopic thermodynamic conditions. T he Grand Canonical Adaptive Resolution Scheme is proposed for the treatment of the classical environment; such an approach can treat the exchange of molecules according to first principles of statistical mechanics and thermodynamic. The overall scheme is build on the basis of physical consistency, with the corresponding definition of numerical criteria of control of the approximations implied by the coupling. Given the wide range of expertise required, this work has the intention of providing guiding principles for the construction of a well founded computational protocol for actual multiscale simulations from the electronic to the mesoscopic scale.Comment: Computer Physics Communications (2017), in pres

    Structure-Property Relationship in Layered BaMn2Sb2 and Ba2Mn3Sb2O2

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    Layered transition-metal compounds have received great attention owing to their novel physical properties. Here, we present the structural, electronic, thermal, and magnetic properties of BaMn2Sb2 and Ba2Mn3Sb2O2 single crystals, both with the layered structure analogous to high-temperature superconductors. While the Mn moment in the MnSb4 tetrahedral environment forms G-type antiferromagnetic (AFM) ordering in both BaMn2Sb2 (TN1~443 K) and Ba2Mn3Sb2O2 (TN1~314 K), a short-range AFM order is found in the intercalated MnO2 layer at a much lower temperature (TN2~60 K) in Ba2Mn3Sb2O2. The directions of the ordered moments in these two magnetic sub-lattices of Ba2Mn3Sb2O2 are perpendicular to each other, even though the system is electrically conductive. This indicates that the large magnetic moments in these compounds are highly localized, leading to negligible coupling between MnSb4 and MnO2 layers in Ba2Mn3Sb2O2. These findings provide an insight into the structure-magnetism-based design principle for new superconductors.Comment: 15 pages, 4 figures. 2 table
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