Berg, Metlitski and Sachdev, Science 338, 1606 (2012), have shown that the exchange of hidden spin fluctuations by conduction electrons with two orbitals can result in high-temperature superconductivity in copper-oxide materials. We introduce a similar model for high-temperature iron-selenide superconductors that are electron doped. Conduction electrons carry the minimal 3d xz and 3d yz iron-atom orbitals. Low-energy hidden spin fluctuations at the checkerboard wavevector Q_AF result from nested Fermi surfaces at the center and at the corner of the unfolded (one-iron) Brillouin zone. Magnetic frustration from super-exchange interactions via the selenium atoms stabilize hidden spin fluctuations at Q_AF versus true spin fluctuations. At half filling, Eliashberg theory based purely on the exchange of hidden spin fluctuations reveals a Lifshitz transition to electron/hole Fermi surface pockets at the corner of the folded (two-iron) Brillouin zone, but with vanishing spectral weights. The underlying hidden spin-density wave groundstate is therefore a Mott insulator. Upon electron doping, Eliashberg theory finds that the spectral weights of the hole Fermi surface pockets remain vanishingly small, while the spectral weights of the larger electron Fermi surface pockets become appreciable. This prediction is therefore consistent with the observation of electron Fermi surface pockets alone in electron-doped iron selenide by angle-resolved photoemission spectroscopy (ARPES). Eliashberg theory also finds an instability to S+- superconductivity at electron doping, with isotropic Cooper pairs that alternate in sign between the visible electron Fermi surface pockets and the faint hole Fermi surface pockets. Comparison with the isotropic energy gaps observed in electron-doped iron selenide by ARPES and by scanning tunneling microscopy (STM) is consistent with short-range hidden magnetic order.
In this editorial, we first give a brief survey of the field of iron-selenide superconductivity, both in the case of bulk FeSe characterized by the co-existence of superconductivity and nematic order, and in the case of electron-doped FeSe characterized by high-temperature superconductivity. We next review the 8 contributions to the Frontiers in Physics research topic "High-Tc Superconductivity in Electron-Doped Iron Selenide and Related Compounds".
We report the successful growth of high-quality single crystals of potassium intercalated iron selenide KxFe2-ySe2 by Bridgeman method. The effect of iron vacancies on transport properties was investigated by electrical resistivity and magnetic susceptibility measurements. With varying iron content, the system passes from semiconducting/insulating to superconducting state. Comparing with superconductivity, the anomalous "hump" effect in the normal state resistivity is much more sensitive to the iron deficiency. The electrical resistivity exhibits a perfect metallic behavior (R300K/R35K=42) for…
By performing first-principles electronic structure calculations and analyzing effective magnetic model of alkali-doped iron selenides, we show that the materials without iron vacancies should approach a novel checkerboard phase in which each four Fe sites group together in tetragonal structure. The checkerboard phase is the ground state with a block antiferromagnetic (AFM) order and a small charge density wave order in the absence of superconductivity. Both of them can also coexist with superconductivity. The results explain mysterious $2\times 2$ ordered patterns and hidden orders observed i…
Alkali-doped iron selenide is the latest member of high Tc superconductor family, and its peculiar characters have immediately attracted extensive attention. We prepared high-quality potassium-doped iron selenide (KxFe2-ySe2) thin films by molecular beam epitaxy and unambiguously demonstrated the existence of phase separation, which is currently under debate, in this material using scanning tunneling microscopy and spectroscopy. The stoichiometric superconducting phase KFe2Se2 contains no iron vacancies, while the insulating phase has a \surd5\times\surd5 vacancy order. The iron vacancies are …
We study a multiorbital model for the alkaline iron selenides K(1-x)Fe(2-y)Se2 using a slave-spin method. With or without ordered vacancies, we identify a metal-to-Mott-insulator transition at the commensurate filling of six 3d electrons per iron ion. For Hund's couplings beyond a threshold value, this occurs via an intermediate orbital-selective Mott phase, in which the 3d xy orbital is Mott localized while the other 3d orbitals remain itinerant. This phase is still stabilized over a range of carrier dopings. Our results lead to an overall phase diagram for the alkaline iron selenides, which …
77Se and 87Rb nuclear magnetic resonance (NMR) experiments on Rb0.74Fe1.6Se2 reveal clearly distinct spectra originating from a majority antiferromagnetic (AF) and a minority metallic-superconducting (SC) phase. The very narrow NMR line of the SC phase evidences the absence of Fe vacancies and any trace of AF order. The Rb content of the SC phase is deduced from intensity measurements identifying Rb0.3(1)Fe2Se2 as the actual composition of the SC fraction. The resulting estimate of 0:15 electrons/Fe brings this class of superconductors 245 family closer to the other Fe-based superconductor fam…
We elucidate the existing controversies in the newly discovered K-doped iron selenide (KxFe2-ySe2-z) superconductors. The stoichiometric KFe2Se2 with \surd2\times\surd2 charge ordering was identified as the parent compound of KxFe2-ySe2-z superconductor using scanning tunneling microscopy and spectroscopy. The superconductivity is induced in KFe2Se2 by either Se vacancies or interacting with the anti-ferromagnetic K2Fe4Se5 compound. Totally four phases were found to exist in KxFe2-ySe2-z: parent compound KFe2Se2, superconducting KFe2Se2 with \surd2\times\surd5 charge ordering, superconducting …
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…
In iron selenide superconductors only electron-like Fermi pockets survive, challenging the $S^{\pm}$ pairing based on the quasi-nesting between the electron and hole Fermi pockets (as in iron arsenides). By functional renormalization group study we show that an in-phase $S$-wave pairing on the electron pockets ($S^{++}_{ee}$) is realized. The pairing mechanism involves two competing driving forces: The strong C-type spin fluctuations cause attractive pair scattering between and within electron pockets via Cooperon excitations on the virtual hole pockets, while the G-type spin fluctuations caus…
We report an infrared spectroscopy study on K$_{0.83}$Fe$_{1.53}$Se$_2$, a semiconducting parent compound of the new iron-selenide system. The major spectral features are found to be distinctly different from all other Fe-based superconducting systems. Our measurement revealed two peculiar spectral structures: a double peak structure between 4000-6000 cm$^{-1}$ and abundant phonon modes much more than those expected for a 122 structure. We elaborate that those features could be naturally explained from the blocked antiferromagnetism due to the presence of Fe vacancy ordering as determined by r…
We propose a theoretical description of the phase diagram and physical properties in A2Fe4Se5-type (A=K, Tl) compounds based on a coexistent local moment and itinerant electron picture. Using neutron scattering and ARPES measurements to fix the general structure of the local moment and itinerant Fermi pockets, we find a superconducting (SC) regime with s-wave pairing at the M pockets and an incipient sign-change s-wave near the Gamma point, which is adjacent to an insulating state at low doping and a charge-density-wave (CDW) state at high doping. The uniform susceptibility and resistivity are…
The in-plane thermal conductivity $κ$ of the iron selenide superconductor FeSe$_x$ ($T_c$ = 8.8 K) were measured down to 120 mK and up to 14.5 T ($\simeq 3/4 H_{c2}$). In zero field, the residual linear term $κ_0/T$ at $ T \to 0$ is only about 16 $μ$W K$^{-2}$ cm$^{-1}$, less than 4% of its normal state value. Such a small $κ_0/T$ does not support the existence of nodes in the superconducting gap. More importantly, the field dependence of $κ_0/T$ in FeSe$_x$ is very similar to that in NbSe$_2$, a typical multi-gap s-wave superconductor. We consider our data as strong evidence for multi-gap nod…
By the first-principles electronic structure calculations, we find that the ground state of ternary iron selenides AFe$_2$Se$_2$ (A=K, Cs, or Tl) is in a bi-collinear antiferromagnetic order, in which the Fe local moments ($\sim2.8μ_B$) align ferromagnetically along a diagonal direction and antiferromagnetically along the other diagonal direction on the Fe-Fe square lattice. This bi-collinear antiferromagnetic order results from the interplay among the nearest, the next nearest, and the next next nearest neighbor superexchange interactions, mediated by Se $4p$-orbitals.
The electronic structure and magnetism of LiFeO$_{2}$Fe$_{2}$Se$_{2}$ are investigated using the first-principle calculations. The ground state is N$\acute{e}$el antiferromagnetic (AFM) Mott insulating state for Fe1 with localized magnetism in LiFeO$_{2}$ layer and striped AFM metallic state for Fe2 with itinerant magnetism in Fe$_{2}$Se$_{2}$ layer, accompanied with a weak interlayer AFM coupling between Fe1 and Fe2 ions, resulting in a coexistence of localized and itinerant magnetism. Moreover, the layered LiFeO$_{2}$ is found to be more than an insulating block layer but responsible for enh…
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$\leq E\leq$ 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 mi…
We have studied the pressure effect on electronic structures and magnetic orders of ternary iron selenide K$_{0.8}$Fe$_{1.6}$Se$_2$ by the first-principles electronic structure calculations. At low pressure, the compound is in the blocked checkerboard antiferromagnetic (AFM) semiconducting phase, as observed by the neutron scatting measurements. Applying pressure induces two phase transitions, first from the blocked checkerboard AFM semiconducting phase to a collinear AFM metallic phase around 12 GPa, and then to a non-magnetic metallic phase around 25 GPa, respectively. Our results help to cl…
Hydrothermal synthesis is described of layered lithium iron selenide hydroxides Li1-xFex(OH)Fe1-ySe (x ~ 0.2; 0.02 < y < 0.15) with a wide range of iron site vacancy concentrations in the iron selenide layers. This iron vacancy concentration is revealed as the only significant compositional variable and as the key parameter controlling the crystal structure and the electronic properties. Single crystal X-ray diffraction, neutron powder diffraction and X-ray absorption spectroscopy measurements are used to demonstrate that superconductivity at temperatures as high as 40 K is observed in the hyd…
Recent inelastic neutron scattering studies by Pan et al., Nature Communications 8, 123 (2017), find evidence for spin excitations at energies above the quasi-particle gap in an iron-selenide high-Tc superconductor. The momenta of the spin excitations form a diamond around the checkerboard wavevector, Q_AF, that is associated with the square lattice of iron atoms that makes up the system. It has been suggested that such a "hollowed-out" spin-excitation spectrum is due to hidden Neel order. We study such a hidden spin-density wave (hSDW) state that results from nested Fermi surfaces at the cent…
Here we show that the 2.80(8) μB/Fe block antiferromagnetic order of BaFe2Se3 transforms into stripe antiferromagnetic order in KFe2Se3 with a decrease in moment to 2.1(1) μB/Fe. This reduction is larger than expected from the change in electron count from Ba$^{2+}$ to K$^{+}$, and occurs with the loss of the displacements of Fe atoms from ideal positions in the ladders, as found by neutron pair distribution function analysis. Intermediate compositions remain insulating, and magnetic susceptibility measurements show a suppression of magnetic order and probable formation of a spin-glass. Togeth…
We have carried out a systematic study of the PbO-type compound FeSe_{1-x}Te_x (x = 0~1), where Te substitution effect on superconductivity is investigated. It is found that superconducting transition temperature reaches a maximum of Tc=15.2K at about 50% Te substitution. The pressure-enhanced Tc of FeSe0.5Te0.5 is more than 10 times larger than that of FeSe. Interestingly, FeTe is no longer superconducting. A low temperature structural distortion changes FeTe from triclinic symmetry to orthorhombic symmetry. We believe that this structural change breaks the magnetic symmetry and suppresses su…
We use neutron diffraction to study the temperature evolution of the average structure and local lattice distortions in insulating and superconducting potassium iron selenide K$_y$Fe$_{1.6+x}$Se$_2$. In the high temperature paramagnetic state, both materials have a single phase with crystal structure similar to that of the BaFe$_2$As$_2$ family of iron pnictides. While the insulating K$_y$Fe$_{1.6+x}$Se$_2$ forms a $\sqrt{5}\times\sqrt{5}$ iron vacancy ordered block antiferromagnetic (AF) structure at low-temperature, the superconducting compounds spontaneously phase separate into an insulatin…
The discovery of superconductivity of about 30 K in iron selenides with very large magnetic moments simulates the examination of completing orders. Here we report a finding of pressure- induced suppression of the superconducting transition temperature Tc and enhancement of the temperature of the resistance hump TH through charge transfer between two iron sites with different occupancies. The activation energy for the electric transport of the high-temperature resistance is observed to go to zero at a critical pressure of 8.7 GPa, at which superconductivity tends to disappear and the semiconduc…
Nematic phase intertwines closely with high-Tc superconductivity in iron-based superconductors. Its mechanism, which is closely related to the pairing mechanism of superconductivity, still remains controversial. Comprehensive characterization of how the electronic state reconstructs in the nematic phase is thus crucial. However, most experiments focus only on the reconstruction of band dispersions. Another important characteristic of electronic state, the spectral weight, has not been studied in details so far. Here, we studied the spectral weight transfer in the nematic phase of FeSe$_{0.9}$S…
The electronic structure and magnetism of a new magnetic intercalation compound (Li0.8Fe0.2)OHFeSe are investigated theoretically. The electronic structure calculations predict that the Fe in the (Li,Fe)OH intercalated layer is in +2 valence state, i.e. there is electron doping to the FeSe layer, resulting in the shrinking of the Fermi surface (FS) pocket around Gamma and a strong suppression of dynamical spin susceptibility at M in comparison with the bulk FeSe compound. The ground state of the FeSe layer is a striped antiferromagnetic (SAFM) metal, while the (Li,Fe)OH layer displays a very w…
The iron-based superconductors that contain FeAs layers as the fundamental building block in the crystal structures have been rationalized in the past using ideas based on the Fermi Surface nesting of hole and electron pockets when in the presence of weak Hubbard $U$ interactions. This approach seemed appropriate considering the small values of the magnetic moments in the parent compounds and the clear evidence based on photoemission experiments of the required electron and hole pockets. However, recent results in the context of alkali metal iron selenides, with generic chemical composition $A…
Using the ab initio FLAPW-GGA method we examine the electronic band structure, densities of states, and the Fermi surface topology for a very recently synthesized ThCr2Si2-type potassium intercalated iron selenide superconductor KxFe2Se2. We found that the electronic state of the stoichiometric KFe2Se2 is far from that of the isostructural iron pnictide superconductors. Thus the main factor responsible for experimentally observed superconductivity for this material is the deficiency of potassium, i.e. the hole doping effect. On the other hand, based on the results obtained, we conclude that th…
A1-xFe2-ySe2 (A = K, Cs, Rb, Tl) are recently discovered iron-based superconductors with critical temperatures (Tc) ranging up to 32 K. Their parent phases have unique properties when compared with other iron-based superconductors; e.g., their crystal structures include ordered Fe vacancies, their normal states are antiferromagnetic (AFM) insulating phases, and they have extremely high Néel transition temperatures. However, control of carrier doping into the parent AFM insulators has been difficult due to their intrinsic phase separation. Here, we fabricated an Fe-vacancy-ordered TlFe1.6Se2 in…
We propose an effective single-band model for the newly discovered iron selenide superconductors A$_x$Fe$_{2-y}$Se$_2$ (A=Tl,K,Rb,Cs). Based on this minimum model and the random phase approximation, the $d_{x^2-y^2}$ pairing symmetry is revealed theoretically, which may be understood in the framework of Fermi surface topology. A common origin of superconductivity is elucidated for this compound and other high-T$_c$ materials. The spin excitations at $(π,π/2)$ in superconducting states are observed, in good agreement with the neutron scattering experiments. The spin resonance is indicated to sh…
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 $(π, π)$ 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…
Here we show that a pressure of about 8 GPa suppresses both the vacancy order and the insulating phase, and a further increase of the pressure to about 18 GPa induces a second transition or crossover. No superconductivity has been found in compressed insulating 245 phase. The metallic phase in the intermediate pressure range has a distinct behavior in the transport property, which is also observed in the superconducting sample. We interpret this intermediate metal as an orbital selective Mott phase (OSMP). Our results suggest that the OSMP provides the physical pathway connecting the insulatin…
Very recently (November, 2010, PRB, 82, 180520R), the first ThCr2Si2-type ternary superconductor K0.8Fe2Se2 with enhanced TC ~ 31 K has been discovered. This finding has stimulated much activity in search for related materials and triggered intense studies of their properties. Indeed, very soon superconductivity (TC ~ 28-32 K) was also found in the series of related ternary systems (so-called 122 phases) such as CsxFe2-ySe2, RbxFe2-ySe2, (TlK)xFeySe2, (TlRb)xFeySe2 etc., which formed a new group of superconducting iron-based materials without toxic As. In this paper the recent progress in synt…
The parent compound of an unconventional superconductor must contain unusual correlated electronic and magnetic properties of its own. In the high-Tc potassium intercalated FeSe, there has been significant debate regarding what the exact parent compound is. Our studies unambiguously show that the Fe-vacancy ordered K2Fe4Se5 is the magnetic, Mott insulating parent compound of the superconducting state. Non-superconducting K2Fe4Se5 becomes a superconductor after high temperature annealing, and the overall picture indicates that superconductivity in K2-xFe4+ySe5 originates from the Fe-vacancy ord…
We examine superconductivity in the mesoscopically mixed antiferromagnetic(AF) and superconducting (SC) phases of ternary iron selenides K$_{y}$Fe$_{2-x}$Se$_{2}$. It is shown that the interlayer hopping and AF order are key factors to determine $T_{c}$ of the SC phase. In general, the hopping will produce deformed Fermi surfaces (FS's) that tend to suppress superconductivity. However, contrary to the common expectation, we find that larger AF order actually results in larger SC order, which explains the observed relatively high $T_{c}$ in these phases. Furthermore our results indicate that by…
FeSex (x = 0.80, 0.84, 0.88, 0.92) thin films were prepared on SrTiO3(001) (STO), (La,Sr)(Al,Ta)O3(001) (LSAT), and LaAlO3(001) (LAO) substrates by pulsed laser deposition method. All thin films show single-phase and c-axis oriented epitaxial growth, and are superconducting. Among them, the FeSe0.88 thin films show Tc, onset of 11.8 K and Tc, 0 of 3.4 K. The upper critical magnetic field is estimated to be 14.0 T.
The influence of various strains on crystal and electronic structures of superconducting FeSe has been studied ab initio. We consider changes in the Fermi surface nesting with a vector Q=(0.5,0.5)*(2π/a) as crucial for rising superconductivity (SC) mediated by spin-fluctuations (SF). Our results indicate that the c-axis strained FeSe exhibits the most imperfect nesting, which enhances SF and, hence, also SC. In turn, the ab-plane compressive strain slightly weakens this} nesting while the tensile strain destroys it completely. These findings are consistent with reported earlier experimental de…
We report the superconductivity at above 30 K in a new FeSe-layer compound K0.8Fe2Se2 (nominal composition) achieved by metal K intercalating in between FeSe layers. It is isostructural to BaFe2As2 and possesses the highest Tc for FeSe-layer materials so far under ambient pressure. Hall effect indicates the carriers are dominated by electron in this superconductor. We confirm that the observed superconductivity at above 30 K is due to this new FeSe-based 122 phase. Our results demonstrate that FeSe-layer materials are really remarkable superconductors via structure and carrier modulation.
We study Raman scattering in the superconducting state of alkali-intercalated iron selenide materials AxFe2-ySe2 (A=K,Rb,Cs) in which Fermi surface has only electron pockets. Theory predicts that both s-wave and d-wave pairing channels are attractive in this material, and the gap can have either s-wave or d-wave symmetry, depending on the system parameters. ARPES data favor $s-$wave superconductivity. We present the theory of Raman scattering in AxFe2-ySe2 assuming that the ground state has s-wave symmetry but $d-$ wave is a close second. We argue that Raman profile in d-wave B2g channel displ…
By the first-principles electronic structure calculations, we find that the ground state of the Fe-vacancies ordered TlFe$_{1.5}$Se$_2$ is a quasi-two-dimensional collinear antiferromagnetic semiconductor with an energy gap of 94 meV, in agreement with experimental measurements. This antiferromagnetic order is driven by the Se-bridged antiferromagnetic superexchange interactions between Fe moments. Similarly, we find that crystals AFe$_{1.5}$Se$_2$ (A=K, Rb, or Cs) are also antiferromagnetic semiconductors but with a zero-gap semiconducting state or semimetallic state nearly degenerated with t…
Previous experimental results have shown important differences between iron selenide and arsenide superconductors, which seem to suggest that the high temperature superconductivity in these two subgroups of iron-based family may arise from different electronic ground states. Here, we report the complete phase diagram of a newly synthesized superconducting (SC) system (Li1-xFex)OHFeSe with a similar structure to FeAs-based superconductors. In the non-SC samples, an antiferromagnetic (AFM) spin-density-wave (SDW) transition occurs at ~127 K. This is the first example to demonstrate such an SDW p…
We report on the local electronic structure of oxygen incorporated FeTe and FeSe films and how this relates to superconductivity observed in these films. In the case of FeTe, intially grown films are measured to be non-superconducting, but become superconducting following oxygen incorporation. In FeSe the opposite happens, initially grown films are measured to be superconducting, but experience a quenching of superconductivity following oxygen incorporation. Total Fluorescence Yield (TFY) X-ray absorption experiments show that oxygen incorporation changes the initial Fe valence state in both t…
Superconductivity with zero resistance transition temperature (Tc) up to 8.4 K and 8.3 K can be obtained by doping cobalt and sodium in alfa-FeSe with the nominal composition of Fe0.92Co0.08Se and Na0.1FeSe, respectively. The electrical resistivity and AC magnetic susceptibility of the prepared samples, measured with physical property measurement system (PPMS), unambiguously consistent with each other to indicate that the samples are superconductive. The respective doping mechanisms for cobalt and sodium into the parent alfa-FeSe are the Fe-site substitution and the interlayer insertion. It is…
It is known that iron selenide superconductors exhibit unique characteristics distinct from iron pnicitides, especially in the electron-doped region. However, acomprehensive study of continuous carrier doping ang the corresponding crystal structures of FeSe is still lacking, mainly due to the difficulties in controlling the carrier density in bulk materials. Here, we report the successful synthesis of a new family of bulk Lix(C3H10N2)0.37FeSe, which features a continue superconducting dome harboring Lifshitz transition within the wide range of 0.06~0.68. We demonstrate that with electron-doped…
The Fermi surface pockets that lie at the corner of the two-iron Brillouin zone in heavily electron-doped iron selenide superconductors are accounted for by an extended Hubbard model over the square lattice of iron atoms that includes the principal 3d xz and 3d yz orbitals. At half filling, and in the absence of intra-orbital next-nearest neighbor hopping, perfect nesting between electron-type and hole-type Fermi surfaces at the the center and at the corner of the one-iron Brillouin zone is revealed. It results in hidden magnetic order in the presence of magnetic frustration within mean field …
We report the low-temperature electronic and magnetic properties of the alkali metal-organic solvent intercalated iron selenide superconductor Lix(C5H5N)yFe2-zSe using muon-spin-spectroscopy measurements. The zero-field \muSR results indicate that nearly half of the sample is magnetically ordered and there is a spatial phase separation between the superconducting and the magnetic fraction. The transverse-field \muSR results show that the temperature dependence of the penetration depth λ(T) in the mixed state of Lix(C5H5N)yFe2-zSe can be explained using a two-gap s+s-wave model with gap values …
We present a calculation of a 'modulated' superconducting state in iron-selenide superconductors. The zero-momentum $d-$wave pairing breaks the translational symmetry of the conventional BaFe$_2$Se$_2$-like crystal of $I4/mmm$ space group. This pairing state becomes compatible when the Fe vacancies form an ordered state and the crystal symmetry changes to a low-temperature $I4/m$ one. For the specific case of an incommensurate vacancy order at $Q_v=(1/5, 3/5)$ in K$_{0.82(2)}$Fe$_{1.626(3)}$Se$_2$, we find that it induces a block checkerboard antiferromagnetic phase at wavevector ${\bf Q}_m=4{…
We report on synthesis of single crystals of BaFe2Se3 and study of their crystal and magnetic structures by means of synchrotron single crystal X-ray and neutron powder diffraction. The crystal structure has orthorhombic symmetry and consists of double chains of FeSe4 edge connected tetrahedra intercalated by barium. Below 240 K long range block-spin checkerboard antiferromagnetic (AFM) order is developed. The magnetic structure is similar to one observed in A0.8Fe1.6Se2 (A=K, Rb or Cs) superconductors. The crystals exhibit a transition to the diamagnetic state with an onset transition tempera…
Spin excitations stemming from the metallic phase of the ferrochalcogenide superconductor K(0.77)Fe(1.85)Se(2) (T_c=32 K) were mapped out in the ab plane by means of the time-of-flight neutron spectroscopy. We observed a magnetic resonant mode at Q_res=(1/2 1/4), whose energy and in-plane shape are almost identical to those in the related compound Rb(0.8)Fe(1.6)Se(2). This lets us infer that there is a unique underlying electronic structure of the bulk superconducting phase K(x)Fe(2)Se(2), which is universal for all alkali-metal iron selenide superconductors and stands in contrast to the dopin…
A unique platform for investigating the correlation between the antiferromagnetic (AFM) and superconducting (SC) states in high temperature superconductors is created by the discovery of alkaline iron selenide superconductors which are composed of an AFM insulating phase and a SC phase separated spatially. Our previous studies showed that pressure can fully suppress the superconductivity of ambient-pressure superconducting phase (SC-I) and AFM order simultaneously, then induce another superconducting phase (SC-II) at higher pressure. Consequently, the connection between the two superconducting…
An important challenge in condensed matter physics is understanding iron-based superconductors. Among these systems, the iron selenides hold the record for highest superconducting transition temperature and pose especially striking puzzles regarding the nature of superconductivity. The pairing state of the alkaline iron selenides appears to be of $d$-wave type based on the observation of a resonance mode in neutron scattering, while it seems to be of $s$-wave type from the nodeless gaps observed everywhere on the Fermi surface (FS). Here we propose an orbital-selective pairing state, dubbed $s…
The influence of a partial substitution with S, Te, Co, Ni and Cu atoms on the electronic structure of the FeSe superconductor has been investigated within the density functional theory. The results of the supercell calculations reveal distinct changes of electronic structures of the substituted FeSe systems, which can be responsible for their superconducting properties. The replacement of Se atoms by Te or S ones yields imperfect nesting between the holelike and electronlike Fermi surface (FS) sheets, which enhances magnetic fluctuations responsible for superconducting pairing, thus leading t…
An essential step toward elucidating the mechanism of superconductivity is to determine the sign/phase of superconducting order parameter, as it is closely related to the pairing interaction. In conventional superconductors, the electron-phonon interaction induces attraction between electrons near the Fermi energy and results in a sign-preserved s-wave pairing. For high-temperature superconductors, including cuprates and iron-based superconductors, prevalent weak coupling theories suggest that the electron pairing is mediated by spin fluctuations which lead to repulsive interactions, and there…
The recent discovery of high-temperature superconductivity in single-layer iron selenide has generated significant experimental interest for optimizing the superconducting properties of iron-based superconductors through the lattice modification. For simulating the similar effect by changing the chemical composition due to S doping, we investigate the superconducting properties of high-quality single crystals of FeSe$_{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 intro…
Hidden spin-density waves (hSDW) with Neel ordering vector (pi,pi) have been proposed recently as parent groundstates to electron-doped iron-selenide superconductors. Doping such groundstates can result in visible electron-type Fermi surface pockets and faint hole-type Fermi surface pockets at the corner of the folded Brillouin zone. A Cooper pair instability that alternates in sign between the electron-type and the hole-type Fermi surfaces has recently been predicted. The previous is due to the interaction of electrons and holes with hidden spin fluctuations connected with hSDW order that is …
Nanometer-sized particular structures are generated on the surfaces of FeSe epitaxial films directly after exposure to air; this phenomenon was studied in the current work because these structures are an obstacle to field-induced superconductivity in electric double-layer transistors using FeSe channel layers. Chemical analyses using field-effect scanning Auger electron spectroscopy revealed no clear difference in the chemical composition between the particular structures and the other flat surface region. This observation limits the possible origins of the particulate formation to light eleme…
We report on a new iron selenide superconductor with a TC onset of 45K and the nominal composition Lix(C5H5N)yFe2-zSe2, synthesized via intercalation of dissolved alkaline metal in anhydrous pyridine at room temperature. This superconductor exhibits a broad transition, reaching zero resistance at 10K. Magnetization measurements reveal a superconducting shielding fraction of approximately 30%. Analogous phases intercalated with Na, K and Rb were also synthesized and characterized. The superconducting transition temperature of Lix(C5H5N)yFe2-zSe2 is clearly enhanced in comparison to the known su…
Recent neutron scattering experiments addressing the magnetic state of the two-leg ladder selenide compound BaFe$_2$Se$_3$ have unveiled a dominant spin arrangement involving ferromagnetically ordered 2$\times$2 iron-superblocks, that are antiferromagnetically coupled among them (the "block-AFM" state). Using the electronic five-orbital Hubbard model, first principles techniques to calculate the electronic hopping amplitudes between irons, and the real-space Hartree-Fock approximation to handle the many-body effects, here it is shown that the exotic block-AFM state is indeed stable at realisti…
The ubiquitous coexistence of majority insulating 245 phases and minority superconducting (SC) phases in AxFe2-ySe2 (A = K, Cs, Rb, Tl/Rb, Tl/K) formed by high-temperature routes makes pure SC phases highly desirable for studying the intrinsic properties of this SC family. Here we report that there are at least two pure SC phases, KxFe2Se2(NH3)y (x ~ 0.3 and 0.6), determined mainly by potassium concentration in the K-intercalated iron selenides formed via the liquid ammonia route. K0.3Fe2Se2(NH3)0.47 corresponds to the 44 K phase with lattice constant c = 15.56(1) angstroms and K0.6Fe2Se2(NH3)…
One of the ultimate goals of the study of iron-based superconductors is to identify the common feature that produces the high critical temperature (Tc). In the early days, based on a weak-coupling viewpoint, the nesting between hole- and electron-like Fermi surfaces (FSs) leading to the so-called $s\pm$ state was considered to be one such key feature. However, this theory has faced a serious challenge ever since the discovery of alkali-metal-doped FeSe (AFS) superconductors, in which only electron-like FSs with a nodeless superconducting gap are observed. Several theories have been proposed, b…
