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Pressure-Induced Effects on the Structure of the FeSe Superconductor

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 Added by Jasmine Millican
 Publication date 2009
  fields Physics
and research's language is English




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A polycrystalline sample of FeSe, which adopts the tetragonal PbO-type structure (P4/nmm) at room temperature, has been prepared using solid state reaction. We have investigated pressure-induced structural changes in tetragonal FeSe at varying hydrostatic pressures up to 0.6 GPa in the orthorhombic (T = 50 K) and tetragonal (T = 190 K) phases using high resolution neutron powder diffraction. We report that the structure is quite compressible with a Bulk modulus around 31 GPa to 33 GPa and that the pressure response is anisotropic with a larger compressibility along the c-axis. Key bond angles of the SeFe4 pyramids and FeSe4 tetrahedra are also determined as a function of pressure.



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We have investigated the effect of atomic substitutions in the FeSe system, which exhibits the simplest crystal structure among the iron-based superconductors. An enhancement of the superconducting transition temperature Tc was observed with the substitution of S or Te for Se; the Tc increased with S substitution by up to 20 %, and also increased with Te substitution up to 75 %. In contrast, Co or Ni substitutions for the Fe site significantly suppressed superconductivity. In this work we present a detailed description of the substitution technique employed to determine Tc in the FeSe system.
We present the effects of spin-orbit coupling on the low-energy bands and Fermi surface of the recently discovered pressure-induced superconductor CrAs. We apply the Lowdin down-folding procedure to a tight-binding hamiltonian that includes the intrinsic spin-orbit interaction, originating from the Cr 3d electrons as well as from As 4p ones. Our results indicate that As contributions have negligible effects, whereas the modifications to the band structure and the Fermi surface can be mainly ascribed to the Cr contribution. We show that the inclusion of the spin-orbit interaction allows for a selective removal of the band degeneracy due to the crystal symmetries, along specific high symmetry lines. Such release of the band degeneracy naturally determines a reconstruction of the Fermi surface, including the possibility of changing the number of pockets.
The recently synthesized ThFeAsN iron-pnictide superconductor exhibits a $T_c$ of 30 K, the highest of the 1111-type series in absence of chemical doping. To understand how pressure affects its electronic properties, we carried out microscopic investigations up to 3 GPa via magnetization, nuclear magnetic resonance, and muon-spin rotation experiments. The temperature dependence of the ${}^{75}$As Knight shift, the spin-lattice relaxation rates, and the magnetic penetration depth suggest a multi-band $s^{pm}$-wave gap symmetry in the dirty limit, while the gap-to-$T_c$ ratio $Delta/k_mathrm{B}T_c$ hints at a strong-coupling scenario. Pressure modulates the geometrical parameters, thus reducing $T_c$, as well as $T_m$, the temperature where magnetic-relaxation rates are maximized, both at the same rate of approximately -1.1 K/GPa. This decrease of $T_c$ with pressure is consistent with band-structure calculations, which relate it to the deformation of the Fe 3$d_{z^2}$ orbitals.
We have performed high-resolution angle-resolved photoemission spectroscopy on FeSe superconductor (Tc ~ 8 K), which exhibits a tetragonal-to-orthorhombic structural transition at Ts ~ 90 K. At low temperature we found splitting of the energy bands as large as 50 meV at the M point in the Brillouin zone, likely caused by the formation of electronically driven nematic states. This band splitting persists up to T ~ 110 K, slightly above Ts, suggesting that the structural transition is triggered by the electronic nematicity. We have also revealed that at low temperature the band splitting gives rise to a van Hove singularity within 5 meV of the Fermi energy. The present result strongly suggests that this unusual electronic state is responsible for the unconventional superconductivity in FeSe.
The resistivity $rho$ and Hall resistivity $rho_H$ are measured on FeSe at pressures up to $P$ = 28.3 kbar in magnetic fields up to $B$ = 14.5 T. The $rho(B)$ and $rho_H(B)$ curves are analyzed with multicarrier models to estimate the carrier density and mobility as a function of $P$ and temperature ($ Tleqslant$ 110 K). It is shown that the pressure-induced antiferromagnetic transition is accompanied by an abrupt reduction of the carrier density and scattering. This indicates that the electronic structure is reconstructed significantly by the antiferromagnetic order.
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