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Phase Diagram of Ba1-xKxFe2As2

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 Added by Ray Osborn
 Publication date 2012
  fields Physics
and research's language is English




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We report the results of a systematic investigation of the phase diagram of the iron-based superconductor, Ba1-xKxFe2As2, from x = 0 to x = 1.0 using high resolution neutron and x-ray diffraction and magnetization measurements. The polycrystalline samples were prepared with an estimated compositional variation of Deltax <~ 0.01, allowing a more precise estimate of the phase boundaries than reported so far. At room temperature, Ba1-xKxFe2As2 crystallizes in a tetragonal structure with the space group symmetry of I4/mmm, but at low doping, the samples undergo a coincident first-order structural and magnetic phase transition to an orthorhombic (O) structure with space group Fmmm and a striped antiferromagnet (AF) with space group Fcmmm. The transition temperature falls from a maximum of 139K in the undoped compound to 0K at x = 0.252, with a critical exponent as a function of doping of 0.25(2) and 0.12(1) for the structural and magnetic order parameters, respectively. The onset of superconductivity occurs at a critical concentration of x = 0.130(3) and the superconducting transition temperature grows linearly with x until it crosses the AF/O phase boundary. Below this concentration, there is microscopic phase coexistence of the AF/O and superconducting order parameters, although a slight suppression of the AF/O order is evidence that the phases are competing. At higher doping, superconductivity has a maximum Tc of 38 K at x = 0.4 falling to 3 K at x = 1.0. We discuss reasons for the suppression of the spin-density-wave order and the electron-hole asymmetry in the phase diagram.



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We report a high resolution neutron diffraction investigation of the coupling of structural and magnetic transitions in Ba1xKxFe2As2. The tetragonal-orthorhombic and antiferromagnetic transitions are suppressed with potassium-doping, falling to zero at x <~ 0.3. However, unlike Ba(Fe1xCox)2As2, the two transitions are first-order and coincident over the entire phase diagram, with a biquadratic coupling of the two order parameters. The phase diagram is refined showing that the onset of superconductivity is at x = 0.133 with all three phases coexisting until x >~ 0.24.
338 - U. Welp , R. Xie , A. E. Koshelev 2008
We present a thermodynamic study of the phase diagram of single-crystal Ba1-xKxFe2As2 using specific heat measurements. In zero-magnetic field a clear step in the heat capacity of deltaC/Tc = 0.1 J/f.u.K2 is observed at Tc = 34.6K for a sample with x = 0.4. This material is characterized by extraordinarily high slopes of the upper critical field of dHc2,c/dT= -6.5 T/K and dHc2,ab/dT= -17.4 T/K and a surprisingly low anisotropy of gamma ~ 2.6 near Tc. A consequence of the large field scale is the effective suppression of superconducting fluctuations. Using thermodynamic relations we determine Ginzburg-Landau parameters of kappac ~ 100 and kappaab ~ 260 identifying Ba1-xKxFe2As2 as extreme type-II. The large value of the normalized discontinuity of the slopes of the specific heat at Tc, (Tc/deltaC)times delta(dC/dT)~ 6 indicates strong coupling effects in Ba1-xKxFe2As2.
We report inelastic neutron scattering measurements of the resonant spin excitations in Ba1-xKxFe2As2 over a broad range of electron band filling. The fall in the superconducting transi- tion temperature with hole doping coincides with the magnetic excitations splitting into two incom- mensurate peaks because of the growing mismatch in the hole and electron Fermi surface volumes, as confirmed by a tight-binding model with s+- symmetry pairing. The reduction in Fermi surface nesting is accompanied by a collapse of the resonance binding energy and its spectral weight caused by the weakening of electron-electron correlations.
202 - R. H. Liu , T. Wu , G. Wu 2009
The recent discovery of superconductivity in oxypnictides with the critical temperature (TC) higher than McMillan limit of 39 K (the theoretical maximum predicted by Bardeen-Cooper-Schrieffer (BCS) theory) has generated great excitement. Theoretical calculations indicate that the electron-phonon interaction is not strong enough to give rise to such high transition temperatures, while strong ferromagnetic/antiferromagnetic fluctuations have been proposed to be responsible. However, superconductivity and magnetism in pnictide superconductors show a strong sensitivity to the lattice, suggesting a possibility of unconventional electron-phonon coupling. Here we report the effect of oxygen and iron isotopic mass on Tc and the spin-density wave (SDW) transition temperature (TSDW) in SmFeAsO1-xFx and Ba1-xKxFe2As2 systems. The results show that oxygen isotope effect on TC and TSDW is very little, while the iron isotope exponent alpha=-dlnTc/dlnM is about 0.35, being comparable to 0.5 for the full isotope effect. Surprisingly, the iron isotope exchange shows the same effect on TSDW as TCc These results indicate that electron-phonon interaction plays some role in the superconducting mechanism, but simple electron-phonon coupling mechanism seems to be rather unlikely because a strong magnon-phonon coupling is included. Sorting out the interplay between the lattice and magnetic degrees of freedom is a key challenge for understanding the mechanism of high-TC superconductivity.
We performed a Laser angle-resolved photoemission spectroscopy (ARPES) study on a wide doping range of Ba1-xKxFe2As2 (BaK) and precisely determined the doping evolution of the superconducting (SC) gaps in this compound. The gap size of the outer hole Fermi surface (FS) sheet around the Brillioun zone (BZ) center shows an abrupt drop with overdoping (for x > 0.6) while the inner and middle FS gaps roughly scale with Tc. This is accompanied by the simultaneous disappearance of the electron FS sheet with similar orbital character at the BZ corner. These results browse the different contributions of X2-Y2 and XZ/YZ orbitals to superconductivity in BaK and can be hardly completely reproduced by the available theories on iron-based superconductors.
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