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Register a new userBasic electronic properties of iron selenide under variation of structural parameters
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Since the discovery of high-temperature superconductivity in the thin-film FeSe/SrTiO$_3$ system, iron selenide and its derivates have been intensively scrutinized. Using ab initio density functional theory calculations we review the electronic structures that could be realized in iron-selenide if the structural parameters could be tuned at liberty. We calculate the momentum-dependence of the susceptibility and investigate the symmetry of electron pairing within the random phase approximation. Both the susceptibility and the symmetry of electron pairing depend on the structural parameters in a nontrivial way. These results are consistent with the known experimental behavior of binary iron chalcogenides and, at the same time, reveal two promising new ways of tuning superconducting transition temperatures in these materials. On the one hand by expanding the iron lattice of FeSe at constant iron-selenium distance and, on the other hand, by increasing the iron-selenium distance with unchanged iron lattice.
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The recent discovery of high-temperature superconductivity in single-layer iron selenide has generated significant experimental interest for optimizing the superconducting properties of iron-based superconductors through the lattice modification. For simulating the similar effect by changing the chemical composition due to S doping, we investigate the superconducting properties of high-quality single crystals of FeSe$_{1-x}$S$_{x}$ ($x$=0, 0.04, 0.09, and 0.11) using magnetization, resistivity, the London penetration depth, and low temperature specific heat measurements. We show that the introduction of S to FeSe enhances the superconducting transition temperature $T_{c}$, anisotropy, upper critical field $H_{c2}$, and critical current density $J_{c}$. The upper critical field $H_{c2}(T)$ and its anisotropy are strongly temperature dependent, indicating a multiband superconductivity in this system. Through the measurements and analysis of the London penetration depth $lambda _{ab}(T)$ and specific heat, we show clear evidence for strong coupling two-gap $s$-wave superconductivity. The temperature-dependence of $lambda _{ab}(T)$ calculated from the lower critical field and electronic specific heat can be well described by using a two-band model with $s$-wave-like gaps. We find that a $d$-wave and single-gap BCS theory under the weak-coupling approach can not describe our experiments. The change of specific heat induced by the magnetic field can be understood only in terms of multiband superconductivity.
The electronic structure of the vacancy-ordered K$_{0.5}$Fe$_{1.75}$Se$_2$ iron-selenide compound (278 phase) is studied using the first-principles density functional method. The ground state of the 278 phase is stripe-like antiferromagnetic, and its bare electron susceptibility shows a large peak around $(pi, pi)$ in the folded Brillouin zone. Near Fermi level, the density of states are dominated by the Fe-3d orbitals, and both electron-like and hole-like Fermi surfaces appear in the Brillouin zone. Unfolded band structure shows limited similarities to a hole doped 122 phase. With 0.1e electron doping, the susceptibility peak is quickly suppressed and broadened; while the two-dimensionality of the electron-like Fermi surfaces are greatly enhanced, resulting in a better nesting behavior. Our study should be relevant to the recently reported superconducting phase K$_{0.5+x}$Fe$_{1.75+y}$Se$_2$ with both $x$ and $y$ very tiny.
We report polarized neutron scattering measurements of the low energy spin fluctuations of the iron-selenide superconductor Li$_{0.8}$Fe$_{0.2}$ODFeSe below and above its superconducting transition temperature $T_c=41$ K. Our experiments confirmed that the resonance mode near 21 meV is magnetic. Moreover, the spin excitations are essentially isotropic in spin space at 5$leq Eleq$ 29 meV in the superconducting and normal states. Our results suggest that the resonance mode in iron-based superconductors becomes isotropic when the influence of spin-orbit coupling and magnetic/nematic order is minimized, similar to those observed in cuprate superconductors.
We report the synthesis of a new quasi one-dimensional (1D) iron selenide. Ba9Fe3Se15 was synthesized at high temperature and high pressure of 5.5 GPa and systematically studied via structural, magnetic and transport measurements at ambient and at high-pressures. Ba9Fe3Se15 crystallizes in a monoclinic structure and consists of face-sharing FeSe6 octahedral chains along the c axis. At ambient pressure it exhibits an insulating behavior with a band gap ~460 meV and undergoes a ferrimagnet-like phase transition at 14 K. Under high pressure, a complete metallization occurs at ~29 GPa, which is accompanied by a spin state crossover from high spin (HS) state to low spin (LS) state. The LS appears for pressures P >36 GPa.
We report synthesis of non superconducting parent compound of iron chalcogenide, i.e., FeTe single crystal by self flux method. The FeTe single crystal is crystallized in tetragonal structure with the P4/nmm space group. The detailed SEM (scanning electron microscopy) results showed that the crystals are formed in slab like morphology and are near (slight deficiency of Te) stoichiometric with homogenous distribution of Fe and Te. The coupled structural and magnetic phase transition is seen at around 70K in both electrical resistivity and magnetization measurements, which is hysteric (deltaT = 5K) in nature with cooling and warming cycles. Magnetic susceptibility (chi-T) measurements showed the magnetic transition to be of antiferromagnetic nature, which is substantiated by isothermal magnetization (M-H) plots as well. The temperature dependent electrical resistivity measured in 10kOe field in both in plane and out of plane field directions showed that the hysteric width nearly becomes double to deltaT = 10K, and is maximum for the out of plane field direction for the studied FeTe single crystal. We also obtained a sharp spike like peak in heat capacity Cp(T) measurement due to the coupled structural and magnetic order phase transitions.
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