arXiv subjects

R. J. McQueeney

Publications and source records attributed to R. J. McQueeney.

At least 73 records · Page 4Linked to original sources

arXiv2013

Checkerboard to Stripe Charge Ordering Transition in TbBaFe2O5

A combined neutron and x-ray diffraction study of TbBaFe2O5 reveals a rare checkerboard to charge ordering transition. TbBaFe2O5 is a mixed valent compound where Fe2+/Fe3+ ions are known to arrange into a stripe charge-ordered state below TV = 291 K, that consists of alternating Fe2+/Fe3+ stripes in the basal plane running along the b direction. Our measurements reveal that the stripe charge-ordering is preceded by a checkerboard charge-ordered phase between TV < T < T* = 308 K. The checkerboard ordering is stabilized by inter-site coulomb interactions which give way to a stripe state stabilized by orbital ordering.

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arXiv2012

Effects of transition metal substitutions on the incommensurability and spin fluctuations in BaFe2As2 by elastic and inelastic neutron scattering

The spin fluctuation spectra from nonsuperconducting Cu-substituted, and superconducting Co-substituted, BaFe2As2 are compared quantitatively by inelastic neutron scattering measurements and are found to be indis- tinguishable. Whereas diffraction studies show the appearance of incommensurate spin-density wave order in Co and Ni substituted samples, the magnetic phase diagram for Cu substitution does not display incommensu- rate order, demonstrating that simple electron counting based on rigid-band concepts is invalid. These results, supported by theoretical calculations, suggest that substitutional impurity effects in the Fe plane play a signifi- cant role in controlling magnetism and the appearance of superconductivity, with Cu distinguished by enhanced impurity scattering and split-band behavior.

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arXiv2012

Competition between stripe and checkerboard magnetic instabilities in Mn-doped BaFe2As2

Inelastic neutron scattering measurements on Ba(Fe0.925Mn0.075)2As2 manifest spin fluctuations at two different wavevectors in the Fe square lattice, (1/2,0) and (1/2,1/2), corresponding to the expected stripe spin-density wave order and checkerboard antiferromagnetic order, respectively. Below T_N=80 K, long-range stripe magnetic ordering occurs and sharp spin wave excitations appear at (1/2,0) while broad and diffusive spin fluctuations remain at (1/2,1/2) at all temperatures. Low concentrations of Mn dopants nucleate local moment spin fluctuations at (1/2,1/2) that compete with itinerant spin fluctuations at (1/2,0) and may disrupt the development of superconductivity.

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arXiv2012

Magnetism dependent phonon anomaly in LaFeAsO observed via inelastic x-ray scattering

The phonon dispersion was measured at room temperature along (0,0,L) in the tetragonal phase of LaFeAsO using inelastic x-ray scattering. Spin-polarized first-principles calculations imposing various types of antiferromagnetic order are in better agreement with the experimental results than nonmagnetic calculations, although the measurements were made well above the magnetic ordering temperature, T_N. Splitting observed between two A_{1g} phonon modes at 22 and 26 meV is only observed in spin-polarized calculations. Magneto-structural effects similar to those observed in the AFe_2As_2 materials are confirmed present in LaFeAsO. The presence of Fe-spin is necessary to find reasonable agreement of the calculations with the measured spectrum well above T_N. On-site Fe and As force constants show significant softening compared to nonmagnetic calculations, however an investigation of the real-space force constants associates the magnetoelastic coupling with a complex renormalization instead of softening of a specific pairwise force.

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arXiv2012

Magnetic excitations in underdoped Ba(Fe1-xCox)2As2 with x=0.047

The magnetic excitations in the paramagnetic-tetragonal phase of underdoped Ba(Fe0.953Co0.047)2As2, as measured by inelastic neutron scattering, can be well described by a phenomenological model with purely diffusive spin dynamics. At low energies, the spectrum around the magnetic ordering vector Q_AFM consists of a single peak with elliptical shape in momentum space. At high energies, this inelastic peak is split into two peaks across the direction perpendicular to Q_AFM. We use our fittings to argue that such a splitting is not due to incommensurability or propagating spin-wave excitations, but is rather a consequence of the anisotropies in the Landau damping and in the magnetic correlation length, both of which are allowed by the tetragonal symmetry of the system. We also measure the magnetic spectrum deep inside the magnetically-ordered phase, and find that it is remarkably similar to the spectrum of the paramagnetic phase, revealing the strongly overdamped character of the magnetic excitations.

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arXiv2012

Ba{1-x}KxMn2As2: An Antiferromagnetic Local-Moment Metal

The compound BaMn2As2 with the tetragonal ThCr2Si2 structure is a local-moment antiferromagnetic insulator with a Neel temperature TN = 625 K and a large ordered moment mu = 3.9 mu_B/Mn. We demonstrate that this compound can be driven metallic by partial substitution of Ba by K, while retaining the same crystal and antiferromagnetic structures together with nearly the same high TN and large mu. Ba_{1-x}K_xMn2As2 is thus the first metallic ThCr2Si2-type MAs-based system containing local 3d transition metal M magnetic moments, with consequences for the ongoing debate about the local moment versus itinerant pictures of the FeAs-based superconductors and parent compounds. The Ba_{1-x}K_xMn2As2 class of compounds also forms a bridge between the layered iron pnictides and cuprates and may be useful to test theories of high Tc superconductivity.

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arXiv2011

Magnetic Exchange Interactions in BaMn2As2: A Case Study of the J1-J2-Jc Heisenberg Model

BaMn2As2 is unique among BaT2As2 compounds crystallizing in the body-centered-tetragonal ThCr2Si2 structure, which contain stacked square lattices of 3d transition metal T atoms, since it has an insulating large-moment (3.9 muB/Mn) G-type (checkerboard) antiferromagnetic AF ground state. We report measurements of the anisotropic magnetic susceptibility chi versus temperature T from 300 to 1000 K of single crystals of BaMn2As2, and magnetic inelastic neutron scattering measurements at 8 K and 75As NMR measurements from 4 to 300 K of polycrystalline samples. The Neel temperature determined from the chi(T) measurements is TN = 618(3) K. The measurements are analyzed using the J1-J2-Jc Heisenberg model. Linear spin wave theory for G-type AF ordering and classical and quantum Monte Carlo simulations and molecular field theory calculations of chi(T) and of the magnetic heat capacity Cmag(T) are presented versus J1, J2 and Jc. We also obtain band theoretical estimates of the exchange couplings in BaMn2As2. From analyses of our chi(T), NMR, neutron scattering, and previously published heat capacity data for BaMn2As2 on the basis of the above theories for the J1-J2-Jc Heisenberg model and our band-theoretical results, our best estimates of the exchange constants in BaMn2As2 are J1 = 13 meV, J2/J1 = 0.3 and Jc/J1 = 0.1, which are all antiferromagnetic. From our classical Monte Carlo simulations of the G-type AF ordering transition, these exchange parameters predict TN = 640 K for spin S = 5/2, in close agreement with experiment. Using spin wave theory, we also utilize these exchange constants to estimate the suppression of the ordered moment due to quantum fluctuations for comparison with the observed value and again obtain S = 5/2 for the Mn spin.

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arXiv2011

Magnetic order in GdBiPt studied by x-ray resonant magnetic scattering

Rare earth (R) half-Heusler compounds, RBiPt, exhibit a wide spectrum of novel ground states. Recently, GdBiPt has been proposed as a potential antiferromagnetic topological insulator (AFTI). We have employed x-ray resonant magnetic scattering to elucidate the microscopic details of the magnetic structure in GdBiPt below T_N = 8.5 K. Experiments at the Gd L_2 absorption edge show that the Gd moments order in an antiferromagnetic stacking along the cubic diagonal [1 1 1] direction satisfying the requirement for an AFTI, where both time-reversal symmetry and lattice translational symmetry are broken, but their product is conserved.

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arXiv2011

Role of Magnetic Exchange Energy on Charge Ordering in RSFO (R=La, Pr, and Nd)

Inelastic neutron scattering is applied to study the role of magnetism in stabilizing the charge ordered state in \emph{R}$_{1/3}$Sr$_{2/3}$FeO$_{3}$ (\emph{R}SFO) (\emph{R} = La, Pr, and Nd). The ratio of the ferromagnetic exchange energy (J$_F$) and antiferromagnetic exchange energy (J$_{AF}$), |J$_F$ /J$_{AF}|, is a key indicator of the stability of the charge ordered and antiferromagnetic ordered state. This ratio is obtained from the spin wave spectrum by inelastic neutron scattering and is sufficiently large to suggest that the magnetic exchange energy alone can stabilize the charge ordered state in La$_{1/3}$Sr$_{2/3}$FeO$_{3}$ and Pr$_{1/3}$Sr$_{2/3}$FeO$_{3}$. The exchange ratio decreases from La$_{1/3}$Sr$_{2/3}$FeO$_{3}$ to Nd1$_{1/3}$Sr$_{2/3}$FeO$_{3}$ which indicates a gradual destabilization of the magnetic exchange mechanism for charge ordering in correspondence with the observed reduction in the ordering temperature.

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arXiv2011

Incommensurate spin-density wave order in electron-doped BaFe2As2 superconductors

Neutron diffraction studies of Ba(Fe[1-x]Co[x])2As2 reveal that commensurate antiferromagnetic order gives way to incommensurate magnetic order for Co compositions between 0.056 < x < 0.06. The incommensurability has the form of a small transverse splitting (0, +-e, 0) from the nominal commensurate antiferromagnetic propagation vector Q[AFM] = (1, 0, 1) (in orthorhombic notation) where e = 0.02-0.03 and is composition dependent. The results are consistent with the formation of a spin-density wave driven by Fermi surface nesting of electron and hole pockets and confirm the itinerant nature of magnetism in the iron arsenide superconductors.

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arXiv2011

Character of the structural and magnetic phase transitions in the parent and electron doped BaFe2As2 compounds

We present a combined high-resolution x-ray diffraction and x-ray resonant magnetic scattering (XRMS) study of as-grown BaFe2As2. The structural/magnetic transitions must be described as a two-step process. At T_S = 134.5 K we observe the onset of a second-order structural transition from the high-temperature paramagnetic tetragonal structure to a paramagnetic orthorhombic phase, followed by a discontinuous step in the structural order parameter that is coincident with a first-order antiferromagnetic (AFM) transition at T_N = 133.75 K. These data, together with detailed high-resolution x-ray studies of the structural transition in lightly doped Ba(Fe{1-x}Co{x})2As2 and Ba(Fe{1-x}Rh{x})2As2 compounds, show that the structural and AFM transitions do, in fact, occur at slightly different temperatures in the parent BaFe2As2 compound, and evolve towards split secondorder transitions as the doping concentration is increased. We estimate the composition for the tricritical point for Co-doping and employ a mean-field approach to show that our measurements can be explained by the inclusion of an anharmonic term in the elastic free energy and magneto-elastic coupling in the form of an emergent Ising-nematic degree of freedom.

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arXiv2010

Magnetic ordering and structural distortion in Ru doped BaFe2As2 single crystals studied by Neutron and X-ray diffraction

We present a systematic investigation of the antiferromagnetic ordering and structural distortion for the series of Ba(Fe{1-x}Ru{x})2As2 compounds (0 <= x <= 0.246). Neutron and x-ray diffraction measurements demonstrate that, unlike for the electron-doped compounds, the structural and magnetic transitions remain coincident in temperature. Both the magnetic and structural transitions are gradually suppressed with increased Ru concentration and coexist with superconductivity. For samples that are superconducting, we find strong competition between superconductivity, the antiferromagnetic ordering, and the structural distortion.

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arXiv2010

Commensurate antiferromagnetic ordering in Ba(Fe{1-x}Co{x})2As2 determined by x-ray resonant magnetic scattering at the Fe K-edge

We describe x-ray resonant magnetic diffraction measurements at the Fe K-edge of both the parent BaFe2As2 and superconducting Ba(Fe0.953Co0.047)2As2 compounds. From these high-resolution measurements we conclude that the magnetic structure is commensurate for both compositions. The energy spectrum of the resonant scattering is in reasonable agreement with theoretical calculations using the full-potential linear augmented plane wave method with a local density functional.

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arXiv2010

Antiferromagnetic ordering in the absence of a structural distortion in Ba(Fe{1-x}Mn{x})2As2

Neutron and x-ray diffraction studies of Ba(Fe{1-x}Mn{x})2As2 for low doping concentrations (x <= 0.176) reveal that at a critical concentration, 0.102 < x < 0.118, the tetragonal-to-orthorhombic transition abruptly disappears whereas magnetic ordering with a propagation vector of (1/2 1/2 1) persists. Among all of the iron arsenides this observation is unique to Mn-doping, and unexpected because all models for "stripe-like" antiferromagnetic order anticipate an attendant orthorhombic distortion due to magnetoelastic effects. We discuss these observations and their consequences in terms of previous studies of Ba(Fe{1-x}TM{x})2As2 compounds (TM = Transition Metal), and models for magnetic ordering in the iron arsenide compounds.

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arXiv2010

Interplay between Fe and Nd magnetism in NdFeAsO single crystals

The structural and magnetic phase transitions have been studied on NdFeAsO single crystals by neutron and x-ray diffraction complemented by resistivity and specific heat measurements. Two low-temperature phase transitions have been observed in addition to the tetragonal-to-orthorhombic transition at T_S = 142 K and the onset of antiferromagnetic (AFM) Fe order below T_N = 137 K. The Fe moments order AFM in the well-known stripe-like structure in the (ab) plane, but change from AFM to ferromagnetic (FM) arrangement along the c direction below T* = 15 K accompanied by the onset of Nd AFM order below T_Nd = 6 K with this same AFM configuration. The iron magnetic order-order transition in NdFeAsO accentuates the Nd-Fe interaction and the delicate balance of c-axis exchange couplings that results in AFM in LaFeAsO and FM in CeFeAsO and PrFeAsO.

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arXiv2010

Paramagnetic Spin Correlations in CaFe2As2 Single Crystals

Magnetic correlations in the paramagnetic phase of CaFe2As2 (T_N=172 K) have been examined by means of inelastic neutron scattering from 180 K (~ 1.05 T_N) up to 300 K (~1.8 T_N). Despite the first-order nature of the magnetic ordering, strong but short-range antiferromagnetic (AFM) correlations are clearly observed. These correlations, which consist of quasi-elastic scattering centered at the wavevector Q_{AFM} of the low-temperature AFM structure, are observed up to the highest measured temperature of 300 K and at high energy transfer (E> 60 meV). The L dependence of the scattering implies rather weak interlayer coupling in the tetragonal c-direction corresponding to nearly two-dimensional fluctuations in the (ab) plane. The spin correlation lengths within the Fe layer are found to be anisotropic, consistent with underlying fluctuations of the AFM stripe structure. Similar to the cobalt doped superconducting BaFe2As2 compounds, these experimental features can be adequately reproduced by a scattering model that describes short-range anisotropic spin correlations with overdamped spin dynamics.

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arXiv2010

Evidence from neutron diffraction for superconductivity in the stabilized tetragonal phase of CaFe2As2 under uniaxial pressure

CaFe2As2 single crystals under uniaxial pressure applied along the c axis exhibit the coexistence of several structural phases at low temperatures. We show that the room-temperature tetragonal phase is stabilized at low temperatures for pressures above 0.06 GPa, and its weight fraction attains a maximum in the region where superconductivity is observed under applied uniaxial pressure. Simultaneous resistivity measurements strongly suggest that this phase is responsible for the superconductivity in CaFe2As2 found below 10 K in samples subjected to nonhydrostatic pressure conditions.

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arXiv2010

Unconventional pairing in the iron arsenide superconductors

We use magnetic long range order as a tool to probe the Cooper pair wave function in the iron arsenide superconductors. We show theoretically that antiferromagnetism and superconductivity can coexist in these materials only if Cooper pairs form an unconventional, sign-changing state. The observation of coexistence in Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_{2}$ then demonstrates unconventional pairing in this material. The detailed agreement between theory and neutron diffraction experiments, in particular for the unusual behavior of the magnetic order below $T_{c}$, demonstrates the robustness of our conclusions. Our findings strongly suggest that superconductivity is unconventional in all members of the iron arsenide family.

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