Iron-based superconductors have grown to be a new continent of high Tc superconductors comparable to cuprates. The optimal critical temperature (Tc) of 56 K in electron-doped 1111-type iron oxypnictides attracts considerable attention of physicists and chemists. Carrier doping is not only essential to induce superconductivity but also is a critical parameter that governs the electronic, magnetic, and crystallographic properties of ground states in high-Tc superconductors. Hydride ion (H-) which is an anionic state of hydrogen acts as an efficient electron donor in the 1111-type, leading to several important discoveries such as two-dome structure of superconducting phase and bipartite parent phase. This article summarizes the synthesis, physical properties, and electronic structure of the H- bearing 1111-type iron-based superconductors along with the relevant phenomena of other superconductors. We show several common characteristics of iron-based superconductors with high-Tc over 50 K and suggest a way to achieve higher Tc.
Evolutionary algorithms and the particle swarm optimization method have been used to predict stable and metastable high hydrides of iron between 150-300 GPa that have not been discussed in previous studies. Cmca FeH5, Pmma FeH6 and P2/c FeH6 contain hydrogenic lattices that result from slight distortions of the previously predicted I4/mmm FeH5 and Cmmm FeH6 structures. Density functional theory calculations show that neither the I4/mmm nor the Cmca symmetry FeH5 phases are superconducting. A P1 symmetry FeH7 phase, which is found to be dynamically stable at 200 and 300 GPa, adds another member…
We investigate the electronic structure of a recently discovered, heavily electron-doped iron based superconductor LaFe$_2$As$_2$. Although first principles calculation shows apparent absence of hole Fermi surfaces around the $Γ$ point, we reveal, by hypothetically removing the La $d$ orbital contribution, that a hole Fermi surface around the $Γ$ point is essentially present. In the collapsed phase of LaFe$_2$As$_2$, which is non-superconducting, the hole Fermi surface is found to be absent, and the difference from the uncollapsed superconducting phase can be naturally understood within the sp…
It is demonstrated that resistive transition at 203 K observed in metallic sulfur hydride system at high pressure can be magnetic (rather than superconducting (SC)) in nature. The onset temperature of genuine superconducting transition in these compounds appears to be essentially lower on temperature. The normal-state magnetic (AF SDW) phase transition preceding a superconducting one (Tc < Tm) is characteristic for HTSC cuprates, pnictides (selenides) and organic superconductors. The resistive drop is provided by disappearing of magnetic (AF spin fluctuation) scattering of conduction electrons…
We theoretically study the spin fluctuation and superconductivity in La1111 and Sm1111 iron-based superconductors for a wide range of electron doping. When we take into account the band structure variation by electron doping, the hole Fermi surface originating from the $d_{X^2-Y^2}$ orbital turns out to be robust against electron doping, and this gives rise to large spin fluctuations and consequently $s\pm$ pairing even in the heavily doped regime. The stable hole Fermi surface is larger for Sm1111 than for La1111, which can be considered as the origin of the apparent difference in the phase d…
We report 75As-NMR/NQR results on new iron-arsenide compounds (La0.5-xNa0.5+x)Fe2As2. The parent compound x=0 exhibits a stripe-type antiferromagnetic (AFM) order below T_N=130 K. The measurement of nuclear spin relaxation rate at hole-doped x=+0.3 and heavily electron-doped x=-0.5 revealed that the normal-state properties are dominated by AFM spin fluctuations (AFMSFs), which are more significant at x=+0.3 than at x=-0.5. Their superconducting (SC) phases are characterized by unconventional multi-gap SC state, where the smaller SC gaps are particularly weaken in common. The experimental resul…
An iron-based superconductor LaFeAsO$_{1-x}$H$_x$ (0 $\leq x \leq$ 0.6) undergoes two antiferromagnetic (AF) phases upon H doping. We investigated the second AF phase ($x$=0.6) using NMR techniques under pressure. At pressures up to 2 GPa, the ground state is a spin-density-wave state with a large gap; however, the gap closes at 4.0 GPa, suggesting a pressure-induced quantum critical point. Interestingly, the gapped excitation coexists with gapless magnetic fluctuations at pressures between 2 and 4 GPa. This coexistence is attributable to the lift up of the $d_{xy}$ orbital to the Fermi level,…
Recently a big number of works devoted to search for new hydrides with record high-temperature superconductivity and at the same time the successful synthesis of potential high-TC superconducting FeH5 was reported. We present a systematic search for stable compounds in the Fe-H system using variable-composition version of the evolutionary algorithm USPEX. All known (FeH, FeH3, FeH5) and several new Fe3H5, Fe3H13 and FeH6 iron hydrides were found to be stable, resulting in a very complex phase diagram with rich structural relationships between phases. We calculate electronic properties of two p…
Utilizing the high stability of calcium and rare earth hydrides, CaFeAsF1-xHx (x = 0.0-1.0) and SmFeAsO1-xHx (x = 0.0-0.47) have been first synthesized using high pressure to form hydrogen-substituted 1111 type iron-arsenide superconductors. Neutron diffraction and density functional calculations have demonstrated that the hydrogens are incorporated as H- ions occupying F- sites in the blocking layer of CaFeAsF. The resulting CaFeAsF1-xHx is non-superconducting, whereas SmFeAsO1-xHx is a superconductor, with an optimal Tc = 55 K at x 0.2. It was found that up to 40% of the O2- ions can be repl…
The low energy band structure and Fermi surface of the newly discovered superconductor, AxFe2Se2 (A=K,Cs), have been studied by angle-resolved photoemission spectroscopy. Compared with iron pnictide superconductors, AxFe2Se2 (A=K,Cs) is the most heavily electron-doped with Tc~30 K. Only electron pockets are observed with an almost isotropic superconducting gap of ~10.3 meV, while there is no hole Fermi surface near the zone center, which indicates the inter-pocket hopping or Fermi surface nesting is not a necessary ingredient for the unconventional superconductivity in iron-based superconducto…
Hydrogen (H)-doped LaFeAsO is a prototypical iron-based superconductor. However, its phase diagram extends beyond the standard framework, where a superconducting (SC) phase follows an antiferromagnetic (AF) phase upon carrier doping; instead, the SC phase is sandwiched between two AF phases appearing in lightly and heavily H-doped regimes. We performed nuclear magnetic resonance (NMR) measurements under pressure, focusing on the second AF phase in the heavily H-doped regime. The second AF phase is strongly suppressed when a pressure of 3.0 GPa is applied, and apparently shifts to a highly H-do…
The 1111-type iron arsenide hydride CaFe1-xCoxAsH was synthesized by high-pressure solid-state reaction, and its electronic structure and superconducting properties were investigated. Bulk superconductivity was observed at x = 0.07-0.26. A maximum superconducting critical temperature Tcmax of 23 K was observed at x = 0.07. These values are in agreement with those of CaFe1-xCoxAsF. The calculated Fermi surface of CaFeAsH has a small three-dimensional 3D hole pocket around the Gamma point. This is a result of weak covalent bonding between the As 4p and H 1s orbitals. No such covalency exists in …
Nematicity in the heavily hole-doped iron pnictide superconductors remains controversial. Sizeable nematic fluctuations and even nematic orders far from a magnetic instability were declared in RbFe$_2$As$_2$ and its sister compounds. Here we report a systematic elastoresistance study of series of isovalent- and electron-doped KFe$_2$As$_2$ crystals. We found divergent elastoresistance upon cooling for all the crystals along their [110] direction. The amplitude of elastoresistivity diverges if K is substituted with larger ions or if the system is driven towards a Lifshitz transition. However, w…
We investigated the effects of phosphorus substitution on the shape of the Tc(x) dome in 1111-type SmFeAs1-yPyO1-xHx (0 < x < 0.5). Hydride ion substitution of oxide sites (O2- -> H-) exerts a chemical pressure effect, i.e., a structural reduction of the Pn-Fe-Pn angle α (Pn = P, As) and also dopes electrons into the FePn layer to induce superconductivity. Isovalent phosphorus substitution (P3- -> As3-) can induce only a chemical pressure effect, i.e., an increase of α for La-substitution of Sm-sites. As y increases from 0.0 to 0.5, the single Tc dome gradually splits into two domes, similar t…
Recent experiments reported an unusual nematic behavior of heavily hole-doped pnictides $A$Fe$_{2}$As$_{2}$, with alkali $A$ = Rb, Cs. In contrast to the $B_{2g}$ nematic order of the parent $Ae$Fe$_{2}$As$_{2}$ compounds (with alkaline earth $Ae$ = Sr, Ba), characterized by unequal nearest-neighbor Fe-Fe bonds, in the hole-doped systems nematic order is observed in the $B_{1g}$ channel, characterized by unequal next-nearest-neighbor Fe-Fe (diagonal Fe-As-Fe) bonds. In this work, using density functional theory, we attribute this behavior to the evolution of the magnetic ground state along the…
We report the single crystal growth and characterization of the highest Tc iron-based superconductor SmFeAsO1-xHx. Some sub-millimeter-sized crystals were grown using the mixture flux of Na3As + 3NaH + As at 3.0 GPa and 1473 K. The chemical composition analyses confirmed 10% substitution of hydrogen for the oxygen site (x = 0.10), however, the structural analyses suggested that the obtained crystal forms a multi-domain structure. By using the FIB technique we fabricated the single domain SmFeAsO0.9H0.10 crystal with the Tc of 42 K, and revealed the metallic conduction in in-plane (rhoab), whil…
Hydrogen is the simplest bipolar element and its valence state can be controlled from +1 to -1. We synthesized the 1111-type CaFeAsH and LnFeAsO1-xHx (Ln = lanthanide) with the ZrCuSiAs type structure by a high-pressure synthesis method. The position and valence state of the substituted H were determined by neutron diffraction and density functional theory calculations. The close similarity in the structural and electrical properties of CaFeAsH and CaFeAsF indicated the formation of the hydride ion (H-), which is isovalent with the fluoride ion (F-), in the 1111-type iron arsenides. When some …
Heavily electron-doped iron-selenide (HEDIS) high-transition-temperature (high-$T_{\rm{c}}$) superconductors, which have no hole Fermi pockets, but have a notably high $T_{\rm{c}}$, have challenged the prevailing $s$$_\pm$ pairing scenario originally proposed for iron pnictides containing both electron and hole pockets. The microscopic mechanism underlying the enhanced superconductivity in HEDIS remains unclear. Here, we used neutron scattering to study the spin excitations of the HEDIS material Li$_{0.8}$Fe$_{0.2}$ODFeSe ($T_{\rm{c}}$ = 41 K). Our data revealed nearly ring-shaped magnetic res…
Angle-resolved photoemission spectroscopy (ARPES) is used to study the scattering rates of charge carriers from the hole pockets near Gamma in the iron-based high-Tc hole doped superconductors KxBa1-xFe2As2 x=0.4 and KxEu1-xFe2As2 x=0.55$ and the electron doped compound Ba(Fe1-xCox)2As2 x=0.075. The scattering rate for any given band is found to depend linearly on energy, indicating a non-Fermi liquid regime. The scattering rates in the hole-doped compound are considerably larger than those in the electron-doped compounds. In the hole-doped systems the scattering rate of the charge carriers of…
An exact particle-hole transformation is discovered in a local-moment model for a single layer of heavily electron-doped FeSe. The model harbors hidden magnetic order between the iron d_xz and d_yz orbitals at the wavenumber (pi,pi). It potentially is tied to the magnetic resonances about the very same Neel ordering vector that have been recently discovered in intercalated FeSe. Upon electron doping, the local-moment model successfully accounts for the electron-pocket Fermi surfaces observed experimentally at the corner of the two-iron Brillouin zone in electron-doped FeSe, as well as for isot…
We model a single layer of heavily electron-doped FeSe by spin-1/2 moments over a square lattice of iron atoms that include the 3d xz and 3d yz orbitals, at strong on-site Coulomb repulsion. Above half filling, we find emergent hole bands below the Fermi level at the center of the one-iron Brillouin zone in a half metal state characterized by hidden magnetic order and by electron-type Fermi surface pockets at wavenumbers that double the unit cell along the principal axes. "Replicas" of the emergent hole bands exist at lower energy in the two-iron Brillouin zone. Exact calculations with two mob…
Doping dependence of the spin fluctuations and the electron correlations in the effective five-band Hubbard model for iron pnictides is investigated using the fluctuation-exchange approximation. For a moderate hole doping, we find a dominant low-energy spin excitation at Q=(π,0), which becomes critical at low temperature. The low-energy spin excitations in the heavily hole-doped region are characterized by weak Q dependence. The electron doping leads to an appearance of a pseudogap in spin excitation spectrum. Correspondingly, the NMR-1/T1 relaxation rate is strongly enhanced on the hole-doped…
Electronic structure and magnetic properties for iron deficient TlFe$_{2-x}$Se$_2$ compounds are studied by first-principles calculations. We find that for the case of $x=0.5$ with a Fe-vacancy ordered orthorhombic superstructure, the ground state exhibits a stripe-like antiferromagnetic ordering and opens a sizable band gap if the short-ranged Coulomb interaction of Fe-3d electrons is moderately strong, manifesting a possible Mott insulating state. While increasing Fe-vacancies from the $x=0$ side, where the band structure is similar to that of a heavily electron-doped FeSe system, the Mott l…
The missing hole packets near the Brillouin zone center render unique electronic structures to the heavily electron doped FeSe-based superconductors with Tc above 40 K. It challenges the existing scenario accounting for the nature of superconductivity in the iron-based family. Yet, one hurdle that has to be overcome is the materials complexity in the rather limited number of compounds. Here we report the growth of heavily electron doped Li-NH3 intercalated FeSe single crystals that are free of such complexities and allow access to the intrinsic superconducting properties. Our results show extr…
Using self consistent mean field and functional renormalization group approaches we show that s-wave pairing symmetry is robust in the heavily electron-doped iron chalcogenides $(\text{K, Cs}) \text{Fe}_{2-x}\text{Se}_2 $. This is because in these materials the leading antiferromagnetic (AFM) exchange coupling is between next-nearest-neighbor (NNN) sites while the nearest neighbor (NN) magnetic exchange coupling is ferromagnetic (FM). This is different from the iron pnictides, where the NN magnetic exchange coupling is AFM and leads to strong competition between s-wave and d-wave pairing in th…
We have performed high-resolution angle-resolved photoemission spectroscopy on heavily electron-doped non-superconducting (SC) BaFe$_{1.7}$Co$_{0.3}$As$_2$. We find that the two hole Fermi surface pockets at the zone center observed in the hole-doped superconducting Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ are absent or very small in this compound, while the two electron pockets at the M point significantly expand due to electron doping by the Co substitution. Comparison of the Fermi surface between non-SC and SC samples indicates that the coexistence of hole and electron pockets connected via the anti…
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 …
Using angle-resolved photoemission spectroscopy, we studied the electronic structure of NaFe$_{1-x}$Co$_x$As from an optimally doped superconducting compound ($x=0.028$) to a heavily overdoped non-superconducting one ($x=0.109$). Similar to the case of "122" type iron pnictides, our data suggest that Co dopant in NaFe$_{1-x}$Co$_x$As supplies extra charge carriers and shifts the Fermi level accordingly. In the $x=0.109$ compound, the hole-like bands around the zone center $Γ$ move to deeper binding energies and an electron pocket appears instead. The overall band renormalization remains basica…
A superconducting transition temperature Tc as high as 100 K was recently discovered in 1 monolayer (1ML) FeSe grown on SrTiO3 (STO). The discovery immediately ignited efforts to identify the mechanism for the dramatically enhanced Tc from its bulk value of 7 K. Currently, there are two main views on the origin of the enhanced Tc; in the first view, the enhancement comes from an interfacial effect while in the other it is from excess electrons with strong correlation strength. The issue is controversial and there are evidences that support each view. Finding the origin of the Tc enhancement co…
We investigate the two-orbital Hubbard model, which reproduces the electron and hole Fermi surfaces in the iron pnictide superconductors, in the presence of the Jahn-Teller electron-phonon coupling by using the dynamical mean-field theory. When the intra- and inter-orbital Coulomb interactions, $U$ and $U'$, increase with $U=U'$, both the local spin and orbital susceptibilities, $χ_{s}$ and $χ_{o}$, increase with $χ_{s}=χ_{o}$ because of the spin-orbital symmetry. Due to the Hund's rule coupling $J$, $χ_{s}$ is enhanced and dominates over $χ_{o}$ resulting in the repulsive local pairing intera…
Since the discovery of high temperature superconductivity in iron pnictides in early 2008, many iron-based superconductors with different structures have been discovered, with the highest transition temperature to date being 57 K. By the end of 2010, another kind of new superconductor, the Fe-based chalcogenide K1-xFe2-ySe2 was discovered. A naive counting of the electrons in the system would lead to a conclusion that the system is heavily electron overdoped (~0.4 e/Fe). Band structure calculations further support this speculation and predict that the hole pockets which are found in the iron p…
We have performed high-resolution angle-resolved photoemission spectroscopy on heavily overdoped KFe_2As_2 (transition temperature (Tc = 3 K). We observed several renormalized bands near the Fermi level with a renormalization factor of 2-4. While the Fermi surface (FS) around the Brillouin-zone center is qualitatively similar to that of optimally-doped Ba_{1-x}K_xFe_2As_2 (x = 0.4; Tc = 37 K), the FS topology around the zone corner (M point) is markedly different: the two electron FS pockets are completely absent due to excess of hole doping. This result indicates that the electronic states ar…
We investigate Cu-doped Ba(Fe$_{1-x}$Cu$_x$)$_2$As$_2$ with transport, magnetic susceptibility, and elastic neutron scattering measurements. In the heavily Cu-doped regime where long-range stripe-type antiferromagnetic order in BaFe$_2$As$_2$ is suppressed, Ba(Fe$_{1-x}$Cu$_x$)$_2$As$_2$ (0.145 $\leq x \leq$ 0.553) samples exhibit spin-glass-like behavior in magnetic susceptibility and insulating-like temperature dependence in electrical transport. Using elastic neutron scattering, we find stripe-type short-range magnetic order in the spin-glass region identified by susceptibility measurements…
The multiband nature of iron-pnictide superconductors is one of the keys to the understanding of their intriguing behavior. The electronic and magnetic properties heavily rely on the multiband interactions between different electron and hole pockets near the Fermi level. At the fundamental level, though many theoretical models were constructed on the basis of the so-called 1-Fe Brillouin zone (BZ) with an emphasis of the basic square lattice of iron atoms, most electronic structure measurements were interpreted in the 2-Fe BZ. Whether the 1-Fe BZ is valid in a real system is still an open ques…
We have theoretically explored the intrinsic spin Hall effect (SHE) in the iron-based superconductor family with a variety of materials. The study is motivated by an observation that, in addition to an appreciable spin-orbit coupling in the Fe 3d states, a character of the band structure in which Dirac cones appear below the Fermi energy may play a crucial role in producing a large SHE. Our investigation does indeed predict a substantially large spin Hall conductivity in the heavily hole-doped regime such as KFe$_2$As$_2$. The magnitude of the SHE has turned out to be comparable with that for …
We present a microscopic study of the nuclear magnetic relaxation rate 1/T1 based on the five-orbital model for iron-based superconductors. We mainly discuss the effect of the "inelastic" quasi-particle damping rate γ due to many-body interaction on the size of the coherence peak, for both s++ and s+- wave superconducting states. We focus on Ba(Fe1-xCox)2As2, and systematically evaluate γ in the normal state from the experimental resistivity, from optimally to over-doped compounds. Next, γ in the superconducting state is calculated microscopically based on the second order perturbation theory.…
FeSe-derived superconductors show some unique behaviors relative to iron-pnictide superconductors, which are very helpful to understand the mechanism of superconductivity in high-Tc iron-based superconductors. The low-energy electronic structure of the heavily electron-doped AxFe2Se2 (A=K, Rb, Cs) demonstrates that interband scattering or Fermi surface nesting is not a necessary ingredient for the unconventional superconductivity in iron-based superconductors. The superconducting transition temperature (Tc) in the one-unit-cell FeSe on SrTiO3 substrate can reach as high as ~65 K, largely trans…
Electronic and magnetic properties of the heavily H-doped LaFeAsO$_{1-x}$H$_x$ $(x\sim0.5 )$ were studied in the framework of the density functional theory combined with the dynamical mean field theory (DFT+DMFT). We found a stripe-like-ordered structure of hydrogen and oxygen atoms, as a ground state, with the same configuration as the antiferromagnetic (AF) order. The new configuration could explain the existing experimental results related to the heavily H-doped LaFeAsO$_{1-x}$H$_x$, such as an in-plane electronic anisotropy and a non-uniform magnetic behavior. A significant anisotropy was …
High-temperature (high-$T_{\rm c}$) superconductivity appears as a consequence of the carrier-doping of an undoped parent compound exhibiting antiferromagnetic order; thereby, ground-state properties of the parent compound are closely relevant to the superconducting state. On the basis of the concept, a spin-fluctuation has been addressed as an origin of pairing of the superconducting electrons in cuprates. Whereas, there is growing interest in the pairing mechanism such as an unconventional spin-fluctuation or an advanced orbital-fluctuation due to the characteristic multi-orbital system in i…
Recent studies in heavily hole-doped iron-based superconductor RbFe$_2$As$_2$ have suggested the emergence of novel electronic nematicity directed along the Fe-As direction, 45$^\circ$ rotated from the usual nematicity ubiquitously found in BaFe$_2$As$_2$ and related materials. This motivates us to study the physical properties of Ba$_{1-x}$Rb$_{x}$Fe$_{2}$As$_{2}$, details of which remain largely unexplored. Here we report on the normal-state charge transport in Ba$_{1-x}$Rb$_{x}$Fe$_{2}$As$_{2}$ superconductors by using high-quality single crystals in the range of Rb concentration $0.14\le x…
We perform a theoretical study of the leading pairing instabilities and the associated superconducting gap functions within the spin-fluctuation mediated pairing scenario in the presence of spin-orbit coupling (SOC). Focussing on iron-based superconductors (FeSCs), our model Hamiltonian consists of a realistic density functional theory (DFT)-derived ten-band hopping term, spin-orbit coupling, and electron-electron interactions included via the multi-orbital Hubbard-Hund Hamiltonian. We perform an extensive parameter sweep and investigate different doping regimes including cases with only hole-…
Electronic nematic states with broken rotational symmetry often emerge in correlated materials. In most iron-based superconductors, the nematic anisotropy is oriented in the Fe-Fe direction of the iron square lattice. Recently, a novel type of nematicity along the diagonal Fe-As direction has been suggested in heavily hole-doped $A$Fe$_2$As$_2$ ($A=$ Rb or Cs). However, the transport studies focusing on the fluctuations of such nematicity have provided controversial results regarding the presence of diagonal nematic order. Here we report high-resolution heat capacity measurements under in-plan…
We investigate a two-orbital model for iron-based superconductors to elucidate the effect of interplay between electron correlation and Jahn-Teller electron-phonon coupling by using the dynamical mean-field theory combined with the exact diagonalization method. When the intra- and inter-orbital Coulomb interactions, $U$ and $U'$, increase with $U=U'$, both the local spin and orbital susceptibilities, $χ_{s}$ and $χ_{o}$, increase with $χ_{s}=χ_{o}$ in the absence of the Hund's rule coupling $J$ and the electron-phonon coupling $g$. In the presence of $J$ and $g$, there are distinct two regimes…
Monolayer FeSe films grown on SrTiO3 (STO) substrate show superconducting gap-opening temperatures (Tc) which are almost an order of magnitude higher than those of the bulk FeSe and are highest among all known Fe-based superconductors. Angle-resolved photoemission spectroscopy (ARPES) observed "replica bands" suggesting the importance of the interaction between FeSe electrons and STO phonons. These facts rejuvenated the quest for Tc enhancement mechanisms in iron-based, especially iron-chalcogenide, superconductors. Here, we perform the first numerically-exact sign-problem-free quantum Monte C…
Obtaining the electronic structure of the newly discovered iron-based superconductors is the key to understanding the mechanism of their high-temperature superconductivity. We used angle-resolved photoemission spectroscopy (ARPES) to make direct measurements of the electronic structure and Fermi surface (FS) of the untwinned uniaxial state of CaFe2As2, the parent compound of iron-based superconductors. We observed unequal dispersions and FS geometries along the orthogonal Fe-Fe bond directions. More importantly, unidirectional straight and flat FS segments are observed near the zone center, wh…
Applying an external pressure to indirectly electron-doped 122-type (Ba1-xLax)Fe2As2 epitaxial films enhances the superconducting critical temperature (Tc) up to 30.3 K. Different from the other family compounds, the Tc is enhanced not only in the under-doped region but also in the optimally doped and over-doped regions. Narrowing of the superconducting transition width and an increase in the carrier density take place simultaneously in the whole doping region, except at the heavily over-doped limit. This characteristic is unique to and observed only in (Ba1-xLax)Fe2As2, in which the La doping…
We report a high-pressure 75As NMR study on the heavily hole-doped iron pnictide superconductor KFe2As2 (Tc~3.8 K). The low-energy spin fluctuations are found to decrease with applied pressure up to 2 GPa, but then increase again, changing in lockstep with the pressure-induced evolution of Tc. Their diverging nature suggests close proximity to a magnetic quantum critical point at a negative pressure of P~-0.6 GPa. Above 2.4 GPa, the 75As satellite spectra split below 40 K, indicating a breaking of As site symmetry and an incipient charge order. These pressure-controlled phenomena demonstrate t…
We studied the relationship between the charge doping and the correlation, and its effects on the spectral function of the BaFe$_2$As$_2$ compound in the framework of the density functional theory combined with the dynamical mean field theory (DFT+DMFT). The calculated mass enhancements showed that the electronic correlation varies systematically from weak to strong when moving from the heavily electron-doped regime to the heavily hole-doped one. Since the compound has a multi-orbital nature, the correlation is orbital-dependent and it increases as hole-doping increases. The Fe-3d$_{xy}$ (xy) …
We have performed an angle-resolved photoemission spectroscopy (ARPES) study of the iron-based superconductor PrFeAsO_{0.7} and examined the Fermi surfaces and band dispersions near the Fermi level. Heavily hole-doped electronic states have been observed due to the polar nature of the cleaved surfaces. Nevertheless, we have found that the ARPES spectra basically agree with band dispersions calculated in the local density approximation (LDA) if the bandwidth is reduced by a factor of ~2.5 and then the chemical potential is lowered by ~70 meV. Comparison with previous ARPES results on LaFePO rev…
Temperature-dependent inter-plane resistivity, $ρ_c(T)$, was used to characterise the normal state of the iron-arsenide superconductor Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ over a broad doping range $0\leq x<0.50$. The data were compared with in-plane resistivity, $ρ_a(T)$, and magnetic susceptibility, $χ(T)$, taken in $H \bot c$, as well as Co NMR Knight shift, $^{59}K$, and spin relaxation rate, $1/T_1T$. The inter-plane resistivity data show a clear correlation with the NMR Knight shift, assigned to the formation of the pseudo-gap. Evolution of $ρ_c(T)$ with doping reveals two characteristic energ…
We used \emph{in-situ} potassium (K) evaporation to dope the surface of the iron-based superconductor FeTe$_{0.55}$Se$_{0.45}$. The systematic study of the bands near the Fermi level confirms that electrons are doped into the system, allowing us to tune the Fermi level of this material and to access otherwise unoccupied electronic states. In particular, we observe an electron band located above the Fermi level before doping that shares similarities with a small three-dimensional pocket observed in the cousin, heavily-electron-doped KFe$_{2-x}$Se$_2$ compound.
Sizable single-crystalline samples of Ca$_{10}$(Pt$_3$As$_8$)((Fe$_{1-x}$Pt$_x$)$_2$As$_2$)$_5$ (the 10-3-8 phase) with 0$\leq x<$0.1 have been grown and systematically characterized via X-Ray diffraction, magnetic, and transport measurements. The undoped sample is a heavily doped semiconductor with no sign of magnetic order down to 2 K. With increasing Pt content, the metallic behavior appears and superconductivity is realized for $x\geq$0.023. $T_{\rm c}$ rises to its maximum of approximately 13.6 K at the doping level of $x\sim$0.06, and then decreases for higher $x$ values. The electronic …
We present a systematic study on the heavily Cr doped iron pnictides BaFe$_{1.9-x}$Ni$_{0.1}$Cr$_{x}$As$_{2}$ by using elastic neutron scattering, high-resolution synchrotron X-ray diffraction (XRD), resistivity and Hall transport measurements. When the Cr concentration increases from $x=$ 0 to 0.8, neutron diffraction experiments suggest that the collinear antiferromagnetism persists in the whole doping range, where the Néel temperature $T_N$ coincides with the tetragonal-to-orthorhombic structural transition temperature $T_s$, and both of them keeps around 35 K. The magnetic ordered moment, …
We report a low-temperature specific heat study of high-quality single crystals of the heavily hole doped superconductor Ca$_{0.32}$Na$_{0.68}$Fe$_2$As$_2$. This compound exhibits bulk superconductivity with a transition temperature $T_c \approx 34$\,K, which is evident from the magnetization, transport, and specific heat measurements. The zero field data manifests a significant electronic specific heat in the normal state with a Sommerfeld coefficient $γ\approx 53$ mJ/mol K$^{2}$. Using a multi-band Eliashberg analysis, we demonstrate that the dependence of the zero field specific heat in the…
In contrast to bulk FeSe superconductor, heavily electron-doped FeSe-derived superconductors show relatively high Tc without hole Fermi surfaces and nodal superconducting gap structure, which pose great challenges on pairing theories in the iron-based superconductors. In the heavily electron-doped FeSe-based superconductors, the dominant factors and the exact working mechanism that is responsible for the high Tc need to be clarified. In particular, a clean control of carrier concentration remains to be a challenge for revealing how superconductivity and Fermi surface topology evolves with carr…
Electronic structure and magnetic properties for iron-selenide KFe$_2$Se$_2$ are studied by first-principles calculations. The ground state is stripe-like antiferromagnetic with calculated 2.26 $μ_B$ magnetic moment on Fe atoms; and the $J_1$, $J_2$ coupling strengths are calculated to be 0.038 eV and 0.029 eV. The states around $E_F$ are dominated by the Fe-3d orbitals which hybridize noticeably to the Se-4p orbitals. While the band structure of KFe$_2$Se$_2$ is similar to a heavily electron-doped BaFe$_2$As$_2$ or FeSe system, the Fermi surface of KFe$_2$Se$_2$ is much closer to \fs11 system…
In the heavily hole-doped iron-based superconductors $A$Fe$_2$As$_2$ ($A=$ K, Rb, and Cs), the electron effective mass increases rapidly with alkali-ion radius. To study how the mass enhancement affects the superconducting state, we measure the London penetration depth $λ(T)$ in clean crystals of $A$Fe$_2$As$_2$ down to low temperature $T\sim0.1$ K. In all systems, the superfluid stiffness $ρ_s(T)=λ^2(0)/λ^2(T)$ can be approximated by a power-law $T$ dependence at low temperatures, indicating the robustness of strong momentum anisotropy in the superconducting gap $Δ(k)$. The power $α$ increase…
The dream of room temperature superconductors has inspired intense research effort to find routes for enhancing the superconducting transition temperature (Tc). Therefore, single-layer FeSe on a SrTiO3 substrate, with its extraordinarily high Tc amongst all interfacial superconductors and iron based superconductors, is particularly interesting, but the mechanism underlying its high Tc has remained mysterious. Here we show through isotope effects that electrons in FeSe couple with the oxygen phonons in the substrate, and the superconductivity is enhanced linearly with the coupling strength atop…
