arXiv subjects

M. A. McGuire

Publications and source records attributed to M. A. McGuire.

At least 55 records · Page 3Linked to original sources

arXiv2012

Local structural variation as source of magnetic moment reduction in BaFe2As2

We report time-of-flight neutron powder diffraction results on stoichiometric BaFe2As2. Pair distribution function analysis shows that the orthorhombic distortion in the a-b plane at short distances are significantly different from the average lattice distortion, indicating local variations in the lattice at the short-range. We propose that this local variation reflects a high density of nano-twins, short-ranged structures which locally affect the magnetic alignment. This results suggests that the discrepancies between the observed and calculated magnetic moments in BaFe2As2 arise partly from short-ranged variation of the lattice in the a-b plane.

cond-mat.supr-con↗

arXiv2012

Magnetic phase transitions in single crystals of the chiral helimagnet Cr1/3NbS2

The chiral helimagnet Cr1/3NbS2 has been investigated by magnetic, transport and thermal properties measurements on single crystals and by first principles electronic structure calculations. From the measured field and temperature dependence of the magnetization for fields applied perpendicular to the c axis, the magnetic phase diagram has been constructed in the vicinity of the phase transitions. A transition from a paramagnetic to a magnetically ordered phase occurs near 120 K. With increasing magnetic field and at temperatures below 120 K, this material undergoes transitions from a helimagnetic to a soliton-lattice phase near 900 Oe, and then to a ferromagnetic phase near 1300 Oe. The transitions are found to strongly affect the electrical transport. The resistivity decreases sharply upon cooling near 120 K, and the spin reorientation from the helimagnetic ground state to the commensurate ferromagnetic state is evident in the magnetoresistance. At high fields a large magnetoresistance (55 % at 140 kOe) is observed near the magnetic transition temperature. Heat capacity and electronic structure calculations show the density of states at the Fermi level is low in the magnetically ordered state. Effects of spin fluctuations are likely important in understanding the behavior of Cr1/3NbS2 near and above the magnetic ordering transitions.

cond-mat.str-el↗

arXiv2012

A direct probe of the variability of Coulomb correlation in Fe-pnictide superconductors

We use core-valence-valence (CVV) Auger spectra to probe the Coulomb repulsion between holes in the valence band of Fe pnictide superconductors. By comparing the two-hole final state spectra to density functional theory calculations of the single particle density of states, we extract a measure of the electron correlations that exist in these systems. Our results show that the Coulomb repulsion is highly screened and can definitively be considered as weak. We also find that there are differences between the 1111 and 122 families and even a small variation as a function of the doping, x, in Ba(Fe1 xCox)2As2. We discuss how the values of the hole-hole Coulomb repulsion obtained from our study relate to the onsite Coulomb parameter "U" used in model and first principles calculations based on dynamical mean field theory, and establish an upper bound for its effective value. Our results impose stringent constraints on model based phase diagrams

cond-mat.supr-con↗

arXiv2012

Complex itinerant ferromagnetism in noncentrosymmetric Cr11Ge19

The noncentrosymmetric ferromagnet Cr11Ge19 has been investigated by electrical transport, AC and DC magnetization, heat capacity, x-ray diffraction, resonant ultrasound spectroscopy, and first principles electronic structure calculations. Complex itinerant ferromagnetism in this material is indicated by nonlinearity in conventional Arrott plots, unusual behavior of AC susceptibility, and a weak heat capacity anomaly near the Curie temperature (88 K). The inclusion of spin wave excitations was found to be important in modeling the low temperature heat capacity. The temperature dependence of the elastic moduli and lattice constants, including negative thermal expansion along the c axis at low temperatures, indicate strong magneto-elastic coupling in this system. Calculations show strong evidence for itinerant ferromagnetism and suggest a noncollinear ground state may be expected.

cond-mat.str-el↗

arXiv2012

Itinerant electrons, local moments, and magnetic correlations in pnictides high temperature superconductors

A direct and element-specific measurement of the local Fe spin moment has been provided by analyzing the Fe 3s core level photoemission spectra in the parent and optimally doped CeFeAsO1-xFx (x = 0, 0.11) and Sr(Fe1 xCox)2As2 (x = 0, 0.10) pnictides. The rapid time scales of the photoemission process allowed the detection of large local spin moments fluctuating on a 10-15 s time scale in the paramagnetic, anti-ferromagnetic and superconducting phases, indicative of the occurrence of ubiquitous strong Hund's magnetic correlations. The magnitude of the spin moment is found to vary significantly among different families, 1.3 \muB in CeFeAsO and 2.1 \muB in SrFe2As2. Surprisingly, the spin moment is found to decrease considerably in the optimally doped samples, 0.9 \muB in CeFeAsO0.89F0.11 and 1.3 \muB in Sr(Fe0.9Co0.1)2As2. The strong variation of the spin moment against doping and material type indicates that the spin moments and the motion of itinerant electrons are influenced reciprocally in a self-consistent fashion, reflecting the strong competition between the antiferromagnetic super-exchange interaction among the spin moments and the kinetic energy gain of the itinerant electrons in the presence of a strong Hund's coupling. By describing the evolution of the magnetic correlations concomitant with the appearance of superconductivity, these results constitute a fundamental step toward attaining a correct description of the microscopic mechanisms shaping the electronic properties in the pnictides, including magnetism and high temperature superconductivity.

cond-mat.supr-con↗

arXiv2012

Unusual size effects on thermoelectricity in a strongly correlated oxide

We investigated size effects on thermoelectricity in thin films of a strongly correlated layered cobaltate. At room temperature, the thermopower is independent of thickness down to 6 nm. This unusual behavior is inconsistent with the Fuchs-Sondheimer theory, which is used to describe conventional metals and semiconductors, and is attributed to the strong electron correlations in this material. Although the resistivity increases, as expected, below a critical thickness of $\sim$ 30 nm. The temperature dependent thermopower is similar for different thicknesses but resistivity shows systematic changes with thickness. Our experiments highlight the differences in thermoelectric behavior of strongly correlated and uncorrelated systems when subjected to finite size effects. We use the atomic limit Hubbard model at the high temperature limit to explain our observations. These findings provide new insights on decoupling electrical conductivity and thermopower in correlated systems.

cond-mat.str-el↗

arXiv2012

Thermoelectric transport properties of CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2

The thermoelectric transport properties of CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2 were characterized between 2 and 650K. As synthesized, the polycrystalline samples are found to have lower p-type carrier concentrations than single-crystalline samples of the same empirical formula. These low carrier concentration samples possess the highest mobilities yet reported for materials with the CaAl2Si2 structure type, with a mobility of ~740cm$^2$/V/s observed in EuMg2Bi2 at 50K. Despite decreases in the Seebeck coefficient (α) and electrical resistivity (ρ) with increasing temperature, the power factor (α^2/ρ) increases for all temperatures examined. This behavior suggests a strong asymmetry in the conduction of electrons and holes. The highest figure of merit (zT) is observed in YbMg2Bi2, with zT approaching 0.4 at 600K for two samples with carrier densities of approximately 2x10^{18}cm^{-3} and 8x10^{18}cm^{-3} at room temperature. Refinements of neutron powder diffraction data yield similar behavior for the structures of CaMg2Bi2 and YbMg2Bi2, with smooth lattice expansion and relative expansion in $c$ being ~35% larger than relative expansion in $a$ at 973K. First principles calculations reveal an increasing band gap as Bi is replaced by Sb then As, and subsequent Boltzmann transport calculations predict an increase in αfor a given $n$ associated with an increased effective mass as the gap opens. The magnitude and temperature dependence of αsuggests higher zT is likely to be achieved at larger carrier concentrations, roughly an order of magnitude higher than those in the current polycrystalline samples, which is also expected from the detailed calculations.

cond-mat.mtrl-sci↗

arXiv2011

Kinetically Inhibited Order in a Diamond-Lattice Antiferromagnet

Frustrated magnetic systems exhibit highly degenerate ground states and strong fluctuations, often leading to new physics. An intriguing example of current interest is the antiferromagnet on a diamond lattice, realized physically in A-site spinel materials. This is a prototypical system in three dimensions where frustration arises from competing interactions rather than purely geometric constraints, and theory suggests the possibility of unusual magnetic order at low temperature. Here we present a comprehensive single-crystal neutron scattering study of CoAl2O4, a highly frustrated A-site spinel. We observe strong diffuse scattering that peaks at wavevectors associated with Neel ordering. Below the temperature T*=6.5 K, there is a dramatic change in the elastic scattering lineshape accompanied by the emergence of well-defined spin-wave excitations. T* had previously been associated with the onset of glassy behavior. Our new results suggest instead that T* signifies a first-order phase transition, but with true long-range order inhibited by the kinetic freezing of domain walls. This scenario might be expected to occur widely in frustrated systems containing first-order phase transitions and is a natural explanation for existing reports of anomalous glassy behavior in other materials.

cond-mat.mtrl-sci↗

arXiv2011

Pressure effects on the transport coefficients of Ba(Fe1-xCox)2As2

We report the temperature dependence of the resistivity and thermoelectric power under hydrostatic pressure of the itinerant antiferromagnet BaFe2As2 and the electron-doped superconductor Ba(Fe0.9Co0.1)2As2. We observe a hole-like contribution to the thermopower below the structural-magnetic transition in the parent compound that is suppressed in magnitude and temperature with pressure. Pressure increases the contribution of electrons to transport in both the doped and undoped compound. In the 10% Co-doped sample, we used a two-band model for thermopower to estimate the carrier concentrations and determine the effect of pressure on the band structure.

cond-mat.supr-con↗

arXiv2011

Spatial Inhomogeneity in RFeAsO1-xFx (R =Pr, Nd) Determined from Rare Earth Crystal Field Excitations

We report inelastic neutron scattering measurements of crystal field transitions in PrFeAsO, PrFeAsO0.87F0.13, and NdFeAsO0.85F0.15. Doping with fluorine produces additional crystal field excitations, providing evidence that there are two distinct charge environments around the rare earth ions, with probabilities that are consistent with a random distribution of dopants on the oxygen sites. The 4f electrons of the Pr3+ and Nd3+ ions have non-magnetic and magnetic ground states, respectively, indicating that the enhancement of Tc compared to LaFeAsO1-xFx is not due to rare earth magnetism.

cond-mat.supr-con↗

arXiv2011

Giant Anharmonic Phonon Scattering in PbTe

Understanding the microscopic processes affecting the bulk thermal conductivity is crucial to develop more efficient thermoelectric materials. PbTe is currently one of the leading thermoelectric materials, largely thanks to its low thermal conductivity. However, the origin of this low thermal conductivity in a simple rocksalt structure has so far been elusive. Using a combination of inelastic neutron scattering measurements and first-principles computations of the phonons, we identify a strong anharmonic coupling between the ferroelectric transverse optic (TO) mode and the longitudinal acoustic (LA) modes in PbTe. This interaction extends over a large portion of reciprocal space, and directly affects the heat-carrying LA phonons. The LA-TO anharmonic coupling is likely to play a central role in explaining the low thermal conductivity of PbTe. The present results provide a microscopic picture of why many good thermoelectric materials are found near a lattice instability of the ferroelectric type.

cond-mat.mtrl-sci↗

arXiv2010

Magnetism and Disorder Effects on muSR Measurements of the Magnetic Penetration Depth in Iron-Based Superconductors

It is shown that attempts to accurately deduce the magnetic penetration depth of overdoped BaFe_{1.82}Co_{0.18}As2 single crystals by transverse-field muon spin rotation (TF-muSR) are thwarted by field-induced magnetic order and strong vortex-lattice disorder. We explain how substantial deviations from the magnetic field distribution of a nearly perfect vortex lattice by one or both of these factors is also significant for other iron-based superconductors, and this introduces considerable uncertainty in the values of the magnetic penetration depth obtained by TF-muSR.

cond-mat.supr-con↗

arXiv2010

Effect of annealing on the specific heat of optimally doped Ba(Fe$_{0.92}$Co$_{0.08}$)$_{2}$As$_{2}$

We report the temperature dependence of the low-temperature specific heat down to 400 mK of the electron-doped Ba(Fe$_{0.92}$Co$_{0.08}$)$_{2}$As$_{2}$ superconductors. We have measured two samples extracted from the same batch: first sample has been measured just after preparation with no additional heat treatment. The sample shows $T_{c}$=20 K, residual specific heat $γ_{0}$=3.6 mJ/mol K$^{2}$ and a Schottky-like contribution at low temperatures. A second sample has been annealed at 800 $^{o}C$ for two weeks and shows $T_{c}$ = 25 K and $γ_{0}$=1.4 mJ/mol~K$^{2}$. By subtracting the lattice specific heat, from pure BaFe$_{2}$As$_{2}$, the temperature dependence of the electronic specific heat has been obtained and studied. For both samples the temperature dependence of $C_{el}(T)$ clearly indicate the presence of low-energy excitations in the system. Their specific heat data cannot be described by single clean s- or d-wave models and the data requires an anisotropic gap scenario which may or may not have nodes

cond-mat.supr-con↗

arXiv2010

Electronic Structure of CeFeAsO1-xFx (x=0, 0.11/x=0.12) compounds

We report an extensive study on the intrinsic bulk electronic structure of the high-temperature superconductor CeFeAsO0.89F0.11 and its parent compound CeFeAsO by soft and hard x-ray photoemission, x-ray absorption and soft-x-ray emission spectroscopies. The complementary surface/bulk probing depth, and the elemental and chemical sensitivity of these techniques allows resolving the intrinsic electronic structure of each element and correlating it with the local structure, which has been probed by extended-x-ray absorption fine structure spectroscopy. The measurements indicate a predominant 4f1 (i.e. Ce3+) initial state configuration for Cerium and an effective valence-band-to-4f charge-transfer screening of the core hole. The spectra also reveal the presence of a small Ce f0 initial state configuration, which we assign to the occurrence of an intermediate valence state. The data reveal a reasonably good agreement with the partial density of states as obtained in standard density functional calculations over a large energy range. Implications for the electronic structure of these materials are discussed.

cond-mat.supr-con↗

arXiv2010

BaFe2As2 Surface Domains and Domain Walls: Mirroring the Bulk Spin Structure

High-resolution scanning tunneling microscopy (STM) measurements on BaFe2As2-one of the parent compounds of the iron-based superconductors-reveals a (1x1) As-terminated unit cell on the (001) surface. However, there are significant differences of the surface unit cell compared to the bulk: only one of the two As atoms in the unit cell is imaged and domain walls between different (1x1) regions display a C2 symmetry at the surface. It should have been C2v if the STM image reflected the geometric structure of the surface or the orthorhombic bulk. The inequivalent As atoms and the bias dependence of the domain walls indicate that the origin of the STM image is primarily electronic not geometric. We argue that the surface electronic topography mirrors the bulk spin structure of BaFe2As2, via strong orbital-spin coupling.

cond-mat.supr-con↗

arXiv2010

A doping dependent specific heat study of the superconducting gap in Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_{2}$

We report a doping, magnetic field and low-temperature dependent study of the specific heat of the iron-arsenide Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_{2}$ at under (x=0.045), optimal (x=0.08) and overdoped (x=0.103 and 0.105) regimes. By subtracting the lattice specific heat the temperature and magnetic field dependence of the electronic specific heat has been studied. The temperature and field dependencies of the superconducting part of $C_{p}$ exhibit similar behavior for all doping concentrations. The temperature variation of the electronic specific heat as well as its field dependence cannot be described by a single isotropic s-wave gap, pointing to a complex gap structure in the system. The lack of doping dependence indicates that the gap structure does not change significantly as a function of doping. We also observe a significant residual linear term of unknown origin in the specific heat of Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_{2}$ which suggests that inhomogeneity may be an important factor in Co-doped BaFe$_{2}$As$_{2}$

cond-mat.supr-con↗

arXiv2010

Orbital Symmetry of Ba(Fe1-xCox)2As2 Superconductors Probed with X-ray Absorption Spectroscopy

The orbital symmetries of electron doped iron-arsenide superconductors Ba(Fe1-xCox)2As2 have been measured with x-ray absorption spectroscopy. The data reveal signatures of Fe d electron itinerancy, weak electronic correlations, and a high degree of Fe-As hybridization related to the bonding topology of the Fe dxz+yz states, which are found to contribute substantially at the Fermi level. The energies and detailed orbital character of Fe and As derived unoccupied s and d states are found to be in remarkably good agreement with the predictions of standard density functional theory.

cond-mat.supr-con↗

arXiv2010

Probing Local Variations of Superconductivity on the Surface of Ba(Fe1-xCox)2As2 Single Crystals

The spatially resolved electrical transport properties have been studied on the surface of optimally-doped superconducting Ba(Fe1-xCox)2As2 single crystal by using a four-probe scanning tunneling microscopy. While some non-uniform contrast appears near the edge of the cleaved crystal, the scanning electron microscopy (SEM) reveals mostly uniform contrast. For the regions that showed uniform SEM contrast, a sharp superconducting transition at TC = 22.1 K has been observed with a transition width (delta)Tc = 0.2 K. In the non-uniform contrast region, TC is found to vary between 19.6 and 22.2 K with (delta)Tc from 0.3 to 3.2 K. The wavelength dispersive x-ray spectroscopy reveals that Co concentration remains 7.72% in the uniform region, but changes between 7.38% and 7.62% in the non-uniform region. Thus the variations of superconductivity are associated with local compositional change.

cond-mat.supr-con↗