We present results of it ab initio LDA calculations of electronic structure of "next generation" layered ironpnictide High-Tc superconductor LiFeAs (Tc=18K). Obtained electronic structure of LiFeAs is very similar to recently studied ReOFeAs (Re=La,Ce,Pr,Nd,Sm) and AFe2As2 (A=Ba,Sr) compounds. Namely close to the Fermi level its electronic properties are also determined ma inly by Fe 3d-orbitals of FeAs4 two-dimensional layers. Band dispersions of LiFeAs are very similar to the LaOFeAs and BaFe2As2 systems as well as the shape of the Fe-3d density o f states and Fermi surface.
High-precision measurements of magnetic penetration depth $λ$ in clean single crystals of LiFeAs and LiFeP superconductors reveal contrasting low-energy quasiparticle excitations. In LiFeAs the low-temperature $λ(T)$ shows a flat dependence indicative of a fully gapped state, which is consistent with previous studies. In contrast, LiFeP exhibits a $T$-linear dependence of superfluid density $\propto λ^{-2}$, indicating a nodal superconducting order parameter. A systematic comparison of quasiparticle excitations in the 1111, 122, and 111 families of iron-pnictide superconductors implies that th…
We use transport, inelastic neutron scattering, and angle resolved photoemission experiments to demonstrate that the stoichiometric LiFeAs is an intrinsically electron-overdoped superconductor similar to those of the electron-overdoped NaFe1-xTxAs and BaFe2-xTxAs2 (T = Co,Ni). Furthermore, we show that although transport properties of the stoichiometric superconducting LiFeAs and Li-deficient nonsuperconducting Li1-xFeAs are different, their electronic and magnetic properties are rather similar. Therefore, the nonsuperconducting Li1-xFeAs is also in the electron overdoped regime, where small L…
The electronic structure and lattice vibrational frequencies of the newly discovered superconductors, LiFeAs and NaFeAs, are calculated within density functional theory. We show that in the vicinity of the Fermi energy, the density of states is dominated by contributions from Fe 3d states. We also calculate the electron-phonon coupling strength and show that it is too weak to account for the observed values of the superconducting transition temperatures. This seems to indicate that the iron-based superconductors are not of the conventional type.
Transverse-field muon-spin rotation measurements performed on two samples of LiFeAs demonstrate that the superfluid stiffness of the superconducting condensate in relation to its superconducting transition temperature is enhanced compared to other pnictide superconductors. Evidence is seen for a field-induced magnetic state in a sample with a significantly suppressed superconducting transition temperature. The results in this system highlight the role of direct Fe-Fe interactions in frustrating pairing mediated by antiferromagnetic fluctuations and suggest that, in common with other pnictide s…
Detailed tunneling spectroscopy of vortex core states can provide important insight to the momentum structure of the superconducting order parameter. We present a theoretical study of vortex bound states in iron-based superconductors by use of a realistic five-band model relevant to these systems, and superconductivity stabilized by spin-fluctuation generated pairing vertices yielding an $s\pm$ gap structure. The computed local density of states agrees remarkably well with both the bias dependence of the local conductance and the spatial structure of the low-bias conductance as obtained by sca…
Spectroscopy of vortex bound states can provide valuable information on the structure of the superconducting order parameter. Quasiparticle wavefunctions are expected to leak out in the directions of gap minima or nodes, if they exist, and scanning tunneling spectroscopy (STS) on these low-energy states should probe the momentum dependence of the gap. Anisotropy can also arise from band structure effects, however. We perform a quasiclassical calculation of the density of states of a single vortex in an anisotropic superconductor, and show that if the gap itself is not highly anisotropic, the F…
Miniature Hall-probe arrays were used to measure the critical current densities for the three main directions of vortex motion in the stoichiometric LiFeAs superconductor. These correspond to vortices oriented along the c-axis moving parallel to the ab-plane, and to vortices in the ab-plane moving perpendicular to, and within the plane, respectively. The measurements were carried out in the low-field regime of strong vortex pinning, in which the critical current anisotropy is solely determined by the coherence length anisotropy parameter, ε_ξ. This allows extraction of ε_ξ at magnetic fields f…
The lattice dynamics and the effect of pressure on superconducting LiFeAs in both nonmagnetic (NM) and striped antiferromagnetic (SAF) phases are investigated using the plane-wave pseudopotential, density-functional-based method. While the obtained electron-phonon coupling $λ$ is very small for the NM calculation, the softening of phonon in the SAF phase may lead to a large increase in $λ$. In the SAF phase, strong anisotropy of the phonon softening in the Fe plane is found to arise from different spin orders in the $x$ and $y$ directions, indicating that the phonon softening is of spin-phonon…
Between the different families of pnictide multiband superconductors, LiFeAs is probably one of the less understood. Indeed, despite the large amount of experiments performed in the last few years on this material, no consensus has been reached yet on the possible pairing mechanism at play in this system. Here we focus on the precursor effects of superconductivity visible in the transport experiments performed above Tc. By analyzing the superconducting fluctuations in a layered multiband model appropriate for this material, we argue that the strong two-dimensional character of the paraconducti…
A true critical current density, $j_{c}$, as opposite to commonly measured relaxed persistent (Bean) current, $j_{B}$, was extracted from the Campbell penetration depth, $λ_{C}(T,H)$ measured in single crystals of LiFeAs. The effective pinning potential is non-parabolic, which follows from the magnetic field - dependent Labusch parameter $α$. At the equilibrium (upon field - cooling), $α(H)$ is non-monotonic, but it is monotonic at a finite gradient of the vortex density. This behavior leads to a faster magnetic relaxation at the lower fields and provides a natural \emph{dynamic} explanation f…
Recently it has been suggested that the role of electron-phonon coupling in the mechanism of iron-based superconductors may have been underestimated and that the antiferromagnetism and the induced xy potential may even have a dramatic amplification effect on electron-phonon coupling. To substantiate the recently announced xy potential in the literature, we create a two-channel model to separately superimpose the dynamics of the electron in the upper and lower tetrahedral plane. The results of our two-channel model support the literature data. While the scientists are still searching for a univ…
We investigate the cleaving behavior of LiFeAs and determine its surface electronic structure by detailed density functional calculations. We show that due to the neutral surface of LiFeAs after cleaving, barely any influence of the surface on the electronic states is present. Therefore the data of surface sensitive probes such as angle resolved photoemission spectroscopy (ARPES) represent to a high degree the bulk electronic structure. This we highlighted by a direct comparison of the calculations to ARPES spectra.
We report results of microwave surface impedance measurements of LiFeAs single crystals. The in-plane penetration depth depends on temperature exponentially at low temperatures, which strongly suggests that this material has the nodeless superconducting gap. The temperature dependence of the superfluid density indicates that LiFeAs is a multi-gap superconductor with at least two isotropic gaps. In addtion, the real part of the microwave conductivity exhibits a large enhancement below $T_\mathrm{c}$, indicating that the quasi-particle relaxation time, $τ$, increases rapidly below $T_\mathrm{c}$…
The synthesis and properties of LiFeAs, a high-Tc Fe-based superconducting stoichiometric compound, are reported. Single crystal x-ray studies reveal that it crystallizes in the tetragonal PbFCl type (P4/nmm) with a=3.7914(7) A and c=6.364(2) A. Unlike the known isoelectronic undoped intrinsic FeAs compounds, LiFeAs does not show any spin-density wave behavior but exhibits superconductivity at ambient pressures without chemical doping. It exhibits a respectable transition temperature of Tc=18 K with electronlike carriers and a very high critical field, Hc2(0)>80 T. LiFeAs appears to be the che…
LiFeAs is one of the iron-based superconductors having multiple gaps with the possible sign reversal. To clarify how those novel natures affect the energy dissipation of magnetic vortices, we investigated the microwave surface impedance of LiFeAs single crystals under finite magnetic fields. The flux-flow resistivity enhanced rapidly at low magnetic fields, which is similar to the case of MgB$_{2}$. This is probably the consequence of the multiple-gap nature and the gap anisotropy. This suggest that the sign-reversal is not important for the flux-flow even for multiple-gap superconductors. As …
Super-high resolution laser-based angle-resolved photoemission measurements are carried out on LiFeAs superconductor to investigate its electron dynamics. Three energy scales at $\sim$20 meV, $\sim$34 meV and $\sim$55 meV are revealed for the first time in the electron self-energy both in the superconducting state and normal state. The $\sim$20 meV and $\sim$34 meV scales can be attributed to the coupling of electrons with sharp bosonic modes which are most likely phonons. These observations provide definitive evidence on the existence of mode coupling in iron-based superconductors.
We report neutron inelastic scattering measurements on the stoichiometric iron-based superconductor LiFeAs. We find evidence for (i) magnetic scattering consistent with strong antiferromagnetic fluctuations, and (ii) an increase in intensity in the superconducting state at low energies, similar to the resonant magnetic excitation observed in other iron-based superconductors. The results do not support a recent theoretical prediction of spin-triplet p-wave superconductivity in LiFeAs, and instead suggest that the mechanism of superconductivity is similar to that in the other iron-based supercon…
LiFeAs is one of the new class of iron superconductors with a bulk onset Tc in the 15-17 K range. We report on the specific heat characterization of single crystal material prepared from self-flux growth techniques with significantly improved properties, including a much decreased residual gamma (proportional to C/T as T->0) in the superconducting state. Thus, in contrast to previous explanations of a finite residual gamma in LiFeAs being due to intrinsic states in the superconducting gap, the present work shows that such a finite residual gamma in LiFeAs is instead a function of sample qualit…
The upper critical field $μ_0H_{c2}(T_c)$ of LiFeAs single crystals has been determined by measuring the electrical resistivity using the facilities of pulsed magnetic field at Los Alamos. We found that $μ_0H_{c2}(T_c)$ of LiFeAs shows a moderate anisotropy among the layered iron-based superconductors; its anisotropic parameter $γ$ monotonically decreases with decreasing temperature and approaches $γ\simeq 1.5$ as $T\rightarrow 0$. The upper critical field reaches 15T ($H\parallel c$) and 24.2T ($H\parallel ab$) at $T=$1.4K, which value is much smaller than other iron-based high $T_c$ supercon…
A new iron arsenide superconducting system LiFeAs was found that crystallizes into a tetragonal structure with space group P4/nmm. The superconductivity with Tc up to 18 K was observed in the compounds. This simple 111 type layered iron arsenide superconductor can be viewed as an analogue of the infinite layer structure of copper oxides.
The lack of nesting of the electron and hole Fermi-surface sheets in the Fe-based superconductor LiFeAs, with a critical temperature of 18 K, has led to questions as to whether the origin of superconductivity in this material might be different from other Fe-based superconductors. Both angle-resolved photoemission and quasiparticle interference experiments have reported fully gapped superconducting order parameters with significant anisotropy. The system is also of interest because relatively strong correlations seem to be responsible for significant renormalization of the hole bands. Here we …
We have performed high-resolution angle-resolved photoemission spectroscopy on Fe-based superconductor LiFeAs (Tc = 18 K). We reveal multiple nodeless superconducting (SC) gaps with 2D/kBTc ratios varying from 2.8 to 6.4, depending on the Fermi surface (FS). We also succeeded in directly observing a gap anisotropy along the FS with magnitude up to ~30 %. The anisotropy is four-fold symmetric with an antiphase between the hole and electron FSs, suggesting complex anisotropic interactions for the SC pairing. The observed momentum dependence of the SC gap offers an excellent opportunity to invest…
We investigated long-wavelength nematic fluctuations in an Fe-based superconductor LiFeAs near q=(0.05,0,0) by measuring temperature-dependent renormalization of acoustic phonons through inelastic neutron scattering. We found that the phonons have conventional behavior, as would be expected in the absence of electronic nematic fluctuations. This observation implies that either electron-phonon coupling is too weak to see any effect or that nematic fluctuations are not present.
Results of resonant inelastic X-ray scattering (RIXS) measurements at Fe L-edges and electronic structure calculations of LiFeAs and NaFeAs are presented. Both experiment and theory show that in the vicinity of the Fermi energy, the density of states is dominated by contributions from Fe 3d-states. The comparison of Fe L2,3 non-resonant and resonant (excited at L2-threshold) X-ray emission spectra with spectra of LaOFeAs and CaFe2As2 show a great similarity in energy and I(L2)/I(L3) intensity ratio. The I(L2)/I(L3) intensity ratio of all FeAs-based superconductors is found to be more similar t…
In our tunneling investigation using Andreev superconductor - normal metal - superconductor contacts on LiFeAs single crystals we observed two reproducible independent subharmonic gap structures at dynamic conductance characteristics. From these results, we can derive the energy of the large superconducting gap $Δ_L=(2.5 ÷3.4)$ meV and the small gap $Δ_L=(0.9 ÷1)$ meV at $T = 4.2$ K for the $T_C^{local} \approx (10.5 ÷14)$ K (the contact area critical temperature which deviation causes the variation of $Δ_L$). The BCS-ratio is found to be $2Δ_L/k_BT_C = (4.6 ÷5.6)$, whereas $2Δ_S/k_BT_C \ll 3.…
We report density functional calculations of the electronic structure and Fermi surface of the BaFe$_2$As$_2$ and LiFeAs phases including doping via the virtual crystal approximation. The results show that contrary to a rigid band picture, the density of states at the Fermi energy is only weakly doping dependent and that the main effect of doping is a change in the relative sizes of the electron and hole Fermi surfaces as required by Luttinger's theory. This is a consequence of a change in As height with doping, in particular a shift of As towards Fe as holes are introduced in the Fe plane, as…
The Cu substitution effect on the superconductivity of LiFeAs has been studied in comparison with Co/Ni substitution. It is found that the shrinking rate of the lattice parameter c for Cu substitution is much smaller than that of Co/Ni substitution. This is in conjugation with the observation of ARPES that shows almost the same electron and hole Fermi surfaces (FSs) size for undoped and Cu substituted LiFeAs sample except for a very small hole band sinking below Fermi level with doping, indicating little doping effect at Fermi surface by Cu substitution, in sharp contrast to the much effective…
We have investigated the temperature-dependence of the upper critical field Hc2(T) in a LiFeAs single crystal by direct measurements of resistivity under static magnetic fields up to 36 T. We find in the case of a magnetic field H along the ab-plane that Hc2ab(0) = 30 T is clearly lower than the orbital limiting field Hc2orb,ab (0) = 39.6 T estimated by the |dHc2ab / dT|Tc, suggesting the presence of both Pauli- and orbital-limiting effects in the pair breaking process. The best fit of Hc2ab(T) to the Werthamer-Helfand-Hohenberg formula results in the Maki parameter α = 0.9 and negligible spin…
The thermal conductivity k of the iron-arsenide superconductor LiFeAs (Tc ~ 18K) was measured in single crystals at temperatures down to T~50mK and in magnetic fields up to H=17T, very close to the upper critical field Hc2~18T. For both directions of the heat current, parallel and perpendicular to the tetragonal c-axis, a negligible residual linear term k/T is found as T ->0, revealing that there are no zero-energy quasiparticles in the superconducting state. The increase in k with magnetic field is the same for both current directions and it follows closely the dependence expected for an isot…
We investigate the structural, electronic, and magnetic properties of stoichiometric LiFeAs by using state-of-the-arts first-principles method. We find the magnetic ground-state by comparing the total energies among all the possible magnetic orders. Our calculated internal positions of Li and As are in good agreement with experiment. Our results show that stoichiometric LiFeAs has almost the same striped antiferromagnetic spin order as other FeAs-based parent compounds and tetragonal FeSe do, and the experimental fact that no magnetic phase transition has been observed at finite temperature is…
The phenomenology of LiFeAs superconductor can be explained in the framework of a four-band s$\pm$-wave Eliashberg theory. We have examined the experimental data available in literature and we have found out that it is possible to reproduce the experimental critical temperature, the gap values and the upper critical magnetic field within an effective model in moderate strong-coupling regime that must include both an intraband term $λ_{11}\sim0.9$ and an interband spin-fluctuations ($λ_{tot}^{sf}\sim1.5$) coupling. The presence of a non negligible intraband coupling can be a fictitious effect o…
We present specific heat, c_P, and ARPES data on single crystals of the stoichiometric superconductor LiFeAs. A pronounced anomaly is found in c_P at the superconducting transition. The electronic contribution can be described by two s-type energy gaps with magnitudes of approximately Delta1 = 1.2 meV and Delta2 = 2.6 meV and a normal-state gamma coefficient of 10 mJ/mol K^2. All these values are in remarkable agreement with ARPES results.
Superconducting materials exhibiting topological properties are emerging as an exciting platform to realize fundamentally new excitations from topological quantum states of matter. In this work, we explore the possibility of a field-free platform for generating Majorana zero energy excitations by depositing magnetic Fe impurities on the surface of candidate topological superconductors, LiFeAs and PbTaSe$_2$. We use scanning tunneling microscopy to probe localized states induced at the Fe adatoms on the atomic scale and at sub-Kelvin temperatures. We find that each Fe adatom generates a strikin…
We investigate the role of non-local correlations in LiFeAs by exploring an ab-initio-derived multi-orbital Hubbard model for LiFeAs via the Two-Particle Self-Consistent (TPSC) approach. The multi-orbital formulation of TPSC approximates the irreducible interaction vertex to be an orbital-dependent constant, which is self-consistently determined from local spin and charge sum rules. Within this approach, we disentangle the contribution of local and non-local correlations in LiFeAs and show that in the local approximation one recovers the dynamical-mean field theory (DMFT) result. The compariso…
By using high-quality single crystals, we quantitatively compare the transport properties between LiFeAs and LiFeP superconductors with compensated electron and hole carriers. The low-temperature resistivity follows the Fermi-liquid $AT^2$ dependence with a factor of $\sim 3$ difference in the coefficient $A$. This highlights weaker electron correlations in LiFeP, which is consistent with its $\sim 70$ times lower upper critical field than that of LiFeAs. Our analysis of the magneto-transport data indicates that in LiFeP the electron carriers with lighter masses exhibit stronger temperature de…
LiFeAs is unique among the arsenic based Fe-pnictide superconductors because it is the only nearly stoichiometric compound which does not exhibit magnetic order. This is at odds with electronic structure calculations which and a very stable magnetic state and predict cylindrical hole- and electron-like Fermi surface sheets whose geometry suggests spin uctuations and a possible instability toward long-range ordering at the nesting vector. In fact, a complex magnetic phase-diagram is indeed observed in the isostructural NaFeAs compound. Previous angle resolved photoemission (ARPES) experiments r…
In many high temperature superconductors, small orthorhombic distortions of the lattice structure result in surprisingly large symmetry breaking of the electronic states and macroscopic properties, an effect often referred to as nematicity. To directly study the impact of symmetry-breaking lattice distortions on the electronic states, using low-temperature scanning tunnelling microscopy we image at the atomic scale the influence of strain-tuned lattice distortions on the correlated electronic states in the iron-based superconductor LiFeAs, a material which in its ground state is tetragonal, wi…
The electronic structure and magnetic properties of LiFeAs and FeSe have been studied using hybrid exchange density functional theory. The total energies for a unit cell in LiFeAs and FeSe with different spin states including non-magnetic and spin-2 are calculated. The spin-2 configuration has the lower energy for both LiFeAs and FeSe. The computed anti-ferromagnetic exchange interactions between spins on the nearest (next nearest) neighbouring Fe atoms in LiFeAs and FeSe are approximately 14 (17) meV and 6 (13) meV respectively. The total energies of the checkerboard and stripe-type anti-ferr…
The iron-based superconductors (FeSCs) have recently emerged as a promising single-material Majorana platform by hosting isolated Majorana zero modes (MZMs) at relatively high temperatures. To further verify its Majorana nature and move forward to build topological quantum qubit, it is highly desirable to achieve tunability for MZMs on homogeneous FeSCs. Here, with an in-situ strain device, we can controllably create MZMs on the homogeneous surface of stoichiometric superconductor LiFeAs by inducing a topological phase transition. The evolution of discrete energy modes inside a strained vortex…
Recent angle-resolved photoemission spectroscopy measurements of Co-doped LiFeAs report a large and robust superconducting gap on the $Γ$-centered hole band that lies 8 meV below the Fermi level. We show that, unlike a conventional superconductor described by BCS theory, a multiband system with strong interband Coulomb interactions can explain these observations. We model LiFeAs with a five-band model in which the shallow hole band is coupled with the other bands by only Coulomb interactions. Using Eliashberg theory, we find reasonable interaction parameters that reproduce the $T_c$ and all fi…
Recently, Borisenko et al have posted a Comment (arXiv:1108.1159) where they suggest an alternative interpretation of our de Haas-van Alphen (dHvA) measurements on the superconductor LiFeAs. In our original paper (arXiv:1107.4375) we concluded that our measurements of the bulk Fermi surface were not consistent with the surface bands observed thus far by ARPES. Borisenko et al dispute this and suggest the two measurements are consistent if some of the orbits we observe are due to magnetic breakdown. We argue here that this scenario is inconsistent with the experimental data and therefore that o…
Measurements of the temperature and angular dependencies of the upper critical fields $H_{c2}$ of a stoichiometric single crystal LiFeAs in pulsed magnetic fields up to 50 T were performed using a tunnel diode resonator. Full $H^{\parallel c}_{c2}(T)$ and $H^{\bot c}_{c2}(T)$ curves with $H^{\parallel c}_{c2}(0)=17 \pm 1$ T, $H^{\bot c}_{c2}(0)=26 \pm 1$ T, and the anisotropy parameter ${γ_H}(T) \equiv H_{c2}^{\bot c}/H_{c2}^{\parallel c}$ decreasing from $\approx 2.5$ at $T_c$ to 1.5 at $T\ll T_c$ were observed. The results for both orientations are in excellent agreement with a theory of $H_…
Nodal superconductivity is observed in LiFeP while its counterpart LiFeAs with similar topology and orbital content of the Fermi surfaces is a nodeless superconductor. We explain this difference by solving, in the two-Fe Brillouin zone, the frequency-dependent Eliashberg equations with spin-fluctuation mediated pairing interaction. Because of Fermi surface topology details, in LiFeAs all the Fe-$t_{2g}$ orbitals favor a common pairing symmetry. By contrast, in LiFeP the $d_{xy}$ orbital favors a pairing symmetry different from $d_{xz/yz}$ and their competition determines the pairing symmetry a…
The rich variety of iron-based superconductors and their complex electronic structure lead to a wide range of possibilities for gap symmetry and pairing components. Here we solve in the 2-Fe Brillouin zone the full frequency-dependent linearized Eliashberg equations for LiFeAs with spin-fluctuation mediated pairing interactions. The magnetic excitations are calculated with the random phase approximation on a correlated electronic structure obtained with density functional theory and dynamical mean field theory. Correlations induce long-lived local moments with orbital-dependent dynamics. The i…
We propose that the contrasting low-temperature behaviors observed experimentally among isostructural and isoelectronic materials, like non-superconducting and nonmagnetic MgFeGe, magnetically ordered NaFeAs, and superconducting LiFeAs, can be well understood from itinerant weak coupling limit. We find that stronger $(π,π)$ instability appearing in the d$_{x^2-y^2}$ orbital of NaFeAs is responsible for the occurrence of weak magnetism while weaker but still prominent $(π,π)$ instability in LiFeAs leads to a superconducting state. In contrast, multiple competing instabilities coexisting in orbi…
A major question in Fe-based superconductors remains the structure of the pairing, in particular whether it is of unconventional nature. The electronic structure near vortices can serve as a platform for phase-sensitive measurements to answer this question. By solving Bogoliubov-de Gennes equations for LiFeAs, we calculate the energy-dependent local electronic structure near a vortex for different nodeless gap-structure possibilities. At low energies, the local density of states (LDOS) around a vortex is determined by the normal-state electronic structure. However, at energies closer to the ga…
Conventional Cooper pairing arises from attractive interaction of electrons in the metallic bands. Recent experiment on Co-doped LiFeAs shows superconductivity in the insulating valence band, which is evolved from a metallic hole band upon doping. Here we examine this phenomenon by studying superconductivity in a three-orbital Hamiltonian relevant to the doped LiFeAs. We show explicitly that Cooper pairing of the insulating hole band requires a finite pairing interaction strength. For strong coupling, the superconductivity in the hole band is robust against the sink of the hole band below the …
The recent realization of pristine Majorana zero modes (MZMs) in vortices of iron-based superconductors (FeSCs) provides a promising platform for long-sought-after fault-tolerant quantum computation. A large topological gap between the MZMs and the lowest excitations enabled detailed characterization of vortex MZMs in those materials. Despite those achievements, a practical implementation of topological quantum computation based on MZM braiding remains elusive in this new Majorana platform. Among the most pressing issues are the lack of controllable tuning methods for vortex MZMs and inhomogen…
We have measured the reflectivity spectra of the iron based superconductor LiFeAs (Tc = 17.6 K) in the temperature range from 4 to 300 K. In the superconducting state (T < Tc), the clear opening of the optical absorption gap was observed below 25 cm-1, indicating an isotropic full gap formation. In the normal state (T > Tc), the optical conductivity spectra display a typical metallic behavior with the Drude type spectra at low frequencies, but we found that the introduction of the two Drude components best fits the data, indicating the multiband nature of this superconductor. A theoretical ana…
We address the question of the degree of spatial non-locality of the self energy in the iron-based superconductors, a subject which is receiving considerable attention. Using LiFeAs as a prototypical example, we extract the self energy from angular-resolved photoemission spectroscopy (ARPES) data. We use two distinct electronic structure references: density functional theory in the local density approximation and linearized quasiparticle self consistent GW (LQSGW). We find that with the LQSGW reference, spatially local dynamical correlations provide a consistent description of the experimental…
The time of life of fermionic quasiparticles, the distribution of which in the momentum-energy space can be measured by angle resolved photoemission (ARPES), is the first quantity to look for fingerprints of interaction responsible for the superconducting pairing. Such an approach has been recently used for superconducting cuprates, but its direct application to pnictides was not possible due to essential three-dimensionality of the electronic band structure and magnetic ordering. Here, we report the investigation of the quasiparticle lifetime in LiFeAs, a non-magnetic stoichiometric supercond…
Since the discovery of iron-based superconductors, a number of theories have been put forward to explain the qualitative origin of pairing, but there have been few attempts to make quantitative, material-specific comparisons to experimental results. The spin-fluctuation theory of electronic pairing, based on first-principles electronic structure calculations, makes predictions for the superconducting gap. Within the same framework, the surface wave functions may also be calculated, allowing, e.g., for detailed comparisons between theoretical results and measured scanning tunneling topographs a…
In conventional s-wave superconductors, only magnetic impurities exhibit impurity bound states, whereas for an s+- order parameter they can occur for both magnetic and non-magnetic impurities. Impurity bound states in superconductors can thus provide important insight into the order parameter. Here, we present a combined experimental and theoretical study of native and engineered iron-site defects in LiFeAs. Detailed comparison of tunneling spectra measured on impurities with spin fluctuation theory reveals a continuous evolution from negligible impurity bound state features for weaker scatter…
Amongst the iron-based superconductors, LiFeAs is unrivalled in the simplicity of its crystal structure and phase diagram. However, our understanding of this canonical compound suffers from conflict between mutually incompatible descriptions of the material's electronic structure, as derived from contradictory interpretations of the photoemission record. Here, we explore the challenge of interpretation in such experiments. By combining comprehensive photon energy- and polarization- dependent angle-resolved photoemission spectroscopy (ARPES) measurements with numerical simulations, we establish…
Very recently, the new 6K superconductor (SC) LiFeP, the first arsenic-free analogue of the family of the so-called "111" FeAs SCs, was discovered. Here, based on first-principle FLAPW-GGA calculations, the band structure, density of states, Fermi surface topology, electron density distribution and effective atomic charges for the new SC LiFeP are investigated and discussed in comparison with isostructural and isoelectronic LiFeAs.
Identifying the uniqueness of FeP-based superconductors may shed new lights on the mechanism of superconductivity in iron-pnictides. Here, we report nuclear magnetic resonance(NMR) studies on LiFeP and LiFeAs which have the same crystal structure but different pnictogen atoms. The NMR spectrum is sensitive to inhomogeneous magnetic fields in the vortex state and can provide the information on the superconducting pairing symmetry through the temperature dependence of London penetration depth $λ_L$. We find that $λ_L$ saturates below $T \sim 0.2$ $T_c$ in LiFeAs, where $T_c$ is the superconducti…
We investigate vortices in LiFeAs using scanning tunneling microscopy/spectroscopy. Zero-field tunneling spectra show two superconducting gaps without detectable spectral weight near the Fermi energy, evidencing fully-gapped multi-band superconductivity. We image vortices in a wide field range from 0.1 T to 11 T by mapping the tunneling conductance at the Fermi energy. A quasi-hexagonal vortex lattice at low field contains domain boundaries which consist of alternating vortices with unusual coordination numbers of 5 and 7. With increasing field, the domain boundaries become ill-defined, result…
