{Rearrangement of the antiferromagnetic ordering at high magnetic fields in SmFeAsO and SmFeAsO0.9_{0.9}F0.1_{0.1} single crystals

The low-temperature antiferromagnetic state of the Sm-ions in both nonsuperconducting SmFeAsO and superconducting SmFeAsO$_{0.9}$F$_{0.1}$ single crystals was studied by magnetic torque, magnetization, and magnetoresistance measurements in magnetic fields up to 60~T and temperatures down to 0.6~K. We uncover in both compounds a distinct rearrangement of the antiferromagnetically ordered Sm-moments near $35-40$~T. This is seen in both, static and pulsed magnetic fields, as a sharp change in the sign of the magnetic torque, which is sensitive to the magnetic anisotropy and hence to the magnetic moment in the $ab$-plane, ({\it i.e.} the FeAs-layers), and as a jump in the magnetization for magnetic fields perpendicular to the conducting planes. This rearrangement of magnetic ordering in $35-40$~T is essentially temperature independent and points towards a canted or a partially polarized magnetic state in high magnetic fields. However, the observed value for the saturation moment above this rearrangement, suggests that the complete suppression of the antiferromagnetism related to the Sm-moments would require fields in excess of 60~T. Such a large field value is particularly remarkable when compared to the relatively small N\'{e}el temperature $T_{\rm N}\simeq5$~K, suggesting very anisotropic magnetic exchange couplings. At the transition, magnetoresistivity measurements show a crossover from positive to negative field-dependence, indicating that the charge carriers in the FeAs planes are sensitive to the magnetic configuration of the rare-earth elements. This is indicates a finite magnetic/electronic coupling between the SmO and the FeAs layers which are likely to mediate the exchange interactions leading to the long range antiferromagnetic order of the Sm ions.Comment: 10 pages, 7 figures, accepted in Phys. Rev.

Vortex lock-in transition and evidence for transitions among commensurate kinked vortex configurations in single-layered Fe arsenides

We report an angle-dependent study of the magnetic torque $\tau(\theta)$ within the vortex state of single-crystalline LaO$_{0.9}$F$_{0.1}$FeAs and SmO$_{0.9}$F$_{0.1}$FeAs as a function of both temperature $T$ and magnetic field $H$. Sharp peaks are observed at a critical angle $\theta_c$ at either side of $\theta=90^{\circ}$, where $\theta$ is the angle between $H$ and the inter-planar \emph{c}-axis. $\theta_c$ is interpreted as the critical depinning angle where the vortex lattice, pinned and locked by the intrinsic planar structure, unlocks and acquires a component perpendicular to the planes. We observe a series of smaller replica peaks as a function of $\theta$ and as $\theta$ is swept away from the planar direction. These suggest commensurability effects between the period of the vortex lattice and the inter-planar distance leading to additional kinked vortex configurations.Comment: 5 pages, 5 figure

Interplay of composition, structure, magnetism, and superconductivity in SmFeAs1-xPxO1-y

Polycrystalline samples and single crystals of SmFeAs1-xPxO1-y were synthesized and grown employing different synthesis methods and annealing conditions. Depending on the phosphorus and oxygen content, the samples are either magnetic or superconducting. In the fully oxygenated compounds the main impact of phosphorus substitution is to suppress the N\'eel temperature TN of the spin density wave (SDW) state, and to strongly reduce the local magnetic field in the SDW state, as deduced from muon spin rotation measurements. On the other hand the superconducting state is observed in the oxygen deficient samples only after heat treatment under high pressure. Oxygen deficiency as a result of synthesis at high pressure brings the Sm-O layer closer to the superconducting As/P-Fe-As/P block and provides additional electron transfer. Interestingly, the structural modifications in response to this variation of the electron count are significantly different when phosphorus is partly substituting arsenic. Point contact spectra are well described with two superconducting gaps. Magnetic and resistance measurements on single crystals indicate an in-plane magnetic penetration depth of 200 nm and an anisotropy of the upper critical field slope of 4-5. PACS number(s): 74.70.Xa, 74.62.Bf, 74.25.-q, 81.20.-nComment: 36 pages, 13 figures, 2 table

Doniach diagram for ordered, disordered and underscreened Kondo lattices

The Doniach's diagram has been originally proposed to describe the competition between the local Kondo effect and the intersite RKKY interactions in cerium compounds. Here we discuss the extension of this diagram to different variations of Kondo lattice model. We consider a) ordered cerium compounds where the competition between magnetic order and Kondo effect plays an important role, as $CeRh_2Si_2$, b) disordered cerium systems with competing spin glass phase, magnetic ordered phases and a Kondo phase, as the heavy fermion cerium alloy $CeCu_xNi_{1-x}$ and, c) uranium compounds where a coexistence between Kondo effect and ferromagnetic order has been observed, as UTe. We show that all these cases can be described by a generalized Doniach phase diagram.Comment: Presented in the Latin American Workshop on Magnetism and Magnetic Materials (LAW3M) Rio de Janeiro, Brazil, August 12-16, 2007. Proceedings to be published in JMM

Bulk electronic structure of superconducting LaRu2P2 single crystals measured by soft x-ray angle-resolved photoemission spectroscopy

We present a soft X-ray angle-resolved photoemission spectroscopy (SX-ARPES) study of the stoichiometric pnictide superconductor LaRu2P2. The observed electronic structure is in good agreement with density functional theory (DFT) calculations. However, it is significantly different from its counterpart in high-temperature superconducting Fe-pnictides. In particular the bandwidth renormalization present in the Fe-pnictides (~2 - 3) is negligible in LaRu2P2 even though the mass enhancement is similar in both systems. Our results suggest that the superconductivity in LaRu2P2 has a different origin with respect to the iron pnictides. Finally we demonstrate that the increased probing depth of SX-ARPES, compared to the widely used ultraviolet ARPES, is essential in determining the bulk electronic structure in the experiment.Comment: 4 pages, 4 figures, 1 supplemental material. Accepted for publication in Physical Review Letter

Microscopic Study of the Superconducting State of the Iron Pnictide RbFe_2As_2

A study of the temperature and field dependence of the penetration depth \lambda of the superconductor RbFe_2As_2 (T_c=2.52 K) was carried out by means of muon-spin rotation measurements. In addition to the zero temperature value of the penetration depth \lambda(0)=267(5) nm, a determination of the upper critical field B_c2(0)=2.6(2) T was obtained. The temperature dependence of the superconducting carrier concentration is discussed within the framework of a multi-gap scenario. Compared to the other "122" systems which exhibit much higher Fermi level, a strong reduction of the large gap BCS ratio 2\Delta/k_B T_c is observed. This is interpreted as a consequence of the absence of interband processes. Indications of possible pair-breaking effect are also discussed.Comment: 5 pages, 4 figure

Charge Transfer from Regularized Symmetry-Adapted Perturbation Theory

16 pages, 16 figure

Optimized intermolecular potential for nitriles based on Anisotropic United Atoms model

An extension of the Anisotropic United Atoms intermolecular potential model is proposed for nitriles. The electrostatic part of the intermolecular potential is calculated using atomic charges obtained by a simple Mulliken population analysis. The repulsion-dispersion interaction parameters for methyl and methylene groups are taken from transferable AUA4 literature parameters [Ungerer et al., J. Chem. Phys., 2000, 112, 5499]. Non-bonding Lennard-Jones intermolecular potential parameters are regressed for the carbon and nitrogen atoms of the nitrile group (–C≡N) from experimental vapor-liquid equilibrium data of acetonitrile. Gibbs Ensemble Monte Carlo simulations and experimental data agreement is very good for acetonitrile, and better than previous molecular potential proposed by Hloucha et al. [J. Chem. Phys., 2000, 113, 5401]. The transferability of the resulting potential is then successfully tested, without any further readjustment, to predict vapor-liquid phase equilibrium of propionitrile and n-butyronitrile

Single crystals of LnFeAsO1-xFx (Ln=La, Pr, Nd, Sm, Gd) and Ba1-xRbxFe2As2: growth, structure and superconducting properties

A review of our investigations on single crystals of LnFeAsO1-xFx (Ln=La, Pr, Nd, Sm, Gd) and Ba1-xRbxFe2As2 is presented. A high pressure technique has been applied for the growth of LnFeAsO1-xFx crystals, while Ba1-xRbxFe2As2 crystals were grown using quartz ampoule method. Single crystals were used for electrical transport, structure, magnetic torque and spectroscopic studies. Investigations of the crystal structure confirmed high structural perfection and show less than full occupation of the (O, F) position in superconducting LnFeAsO1-xFx crystals. Resistivity measurements on LnFeAsO1-xFx crystals show a significant broadening of the transition in high magnetic fields, whereas the resistive transition in Ba1 xRbxFe2As2 simply shifts to lower temperature. Critical current density for both compounds is relatively high and exceeds 2x109 A/m2 at 15 K in 7 T. The anisotropy of magnetic penetration depth, measured on LnFeAsO1-xFx crystals by torque magnetometry is temperature dependent and apparently larger than the anisotropy of the upper critical field. Ba1-xRbxFe2As2 crystals are electronically significantly less anisotropic. Point-Contact Andreev-Reflection spectroscopy indicates the existence of two energy gaps in LnFeAsO1-xFx. Scanning Tunneling Spectroscopy reveals in addition to a superconducting gap, also some feature at high energy (~20 meV).Comment: 27 pages, 19 figures, 2 tables, accepted to the special issue of the Physica C on superconducting pnictide