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Register a new userUnusual temperature dependence of band dispersion in Ba(Fe(1-x)Ru(x))2As2 and its consequences for antiferromagnetic ordering
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We have performed detailed studies of the temperature evolution of the electronic structure in Ba(Fe(1-x)Ru(x))2As2 using Angle Resolved Photoemission Spectroscopy (ARPES). Surprisingly, we find that the binding energy of both hole and electron bands changes significantly with temperature in pure and Ru substituted samples. The hole and electron pockets are well nested at low temperature in unsubstituted (BaFe2As2) samples, which likely drives the spin density wave (SDW) and resulting antiferromagnetic order. Upon warming, this nesting is degraded as the hole pocket shrinks and the electron pocket expands. Our results demonstrate that the temperature dependent nesting may play an important role in driving the antiferromagnetic/paramagnetic phase transition.
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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.
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.
The {57}Fe-specific phonon density of states of Ba(Fe(1-x)Co(x))2As2 single crystals (x=0.0, 0.08) was measured at cryogenic temperatures and at high pressures with nuclear-resonant inelastic x-ray scattering. Measurements were conducted for two different orientations of the single crystals, yielding the orientation-projected {57}Fe-phonon density of states (DOS) for phonon polarizations in-plane and out-of-plane with respect to the basal plane of the crystal structure. In the tetragonal phase at 300 K, a clear stiffening was observed upon doping with Co. Increasing pressure to 4 GPa caused a marked increase of phonon frequencies, with the doped material still stiffer than the parent compound. Upon cooling, both the doped and undoped samples showed a stiffening, and the parent compound exhibited a discontinuity across the magnetic and structural phase transition. These findings are generally compatible with the changes in volume of the system upon doping, increasing pressure, or increasing temperature, but an extra softening of high-energy modes occurs with increasing temperature. First-principles computations of the phonon DOS were performed and showed an overall agreement with the experimental results, but underestimate the Grueneisen parameter. This discrepancy is explained in terms of a magnetic Grueneisen parameter, causing an extra phonon stiffening as magnetism is suppressed under pressure.
75As nuclear magnetic resonance (NMR) experiments were performed on Ba(Fe1-xMnx)2As2 (xMn = 2.5%, 5% and 12%) single crystals. The Fe layer magnetic susceptibility far from Mn atoms is probed by the75As NMR line shift and is found similar to that of BaFe2As2, implying that Mn does not induce charge doping. A satellite line associated with the Mn nearest neighbours (n.n.) of 75As displays a Curie-Weiss shift which demonstrates that Mn carries a local magnetic moment. This is confirmed by the main line broadening typical of a RKKY-like Mn-induced staggered spin polarization. The Mn moment is due to the localization of the additional Mn hole. These findings explain why Mn does not induce superconductivity in the pnictides contrary to other dopants such as Co, Ni, Ru or K.
Single crystalline Ba(Fe(1-x)TMx)2As2 (TM = Rh, Pd) series have been grown and characterized by structural, thermodynamic and transport measurements. These measurements show that the structural/magnetic phase transitions, found in pure BaFe2As2 at 134 K, are suppressed monotonically by the doping and that superconductivity can be stablized over a dome-like region. Temperature-composition (T-x) phase diagrams based on electrical transport and magnetization measurements are constructed and compared to those of the Ba(Fe(1-x)TMx)2As2 (TM = Co, Ni) series. Despite the generic difference between 3d and 4d shells and the specific, conspicuous differences in the changes to the unit cell parameters, the effects of Rh doping are exceptionally similar to the effects of Co doping and the effects of Pd doping are exceptionally similar to the effects of Ni doping. These data show that whereas the structural / antiferromagnetic phase transition temperatures can be parameterized by x and the superconducting transition temperature can be parameterized by some combination of x and e, the number of extra electrons associated with the TM doping, the transition temperatures of 3d- and 4d- doped BaFe2As2 can not be simply parameterized by the changes in the unit cell dimensions or their ratios.
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