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 chemical equivalent of the infinite layered compound of the high-Tc cuprates.
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…
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…
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 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.
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…
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…
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…
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…
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.
We have fabricated c-axis point contact junctions between high-quality LiFeAs single crystals and Pb or Au tips in order to study the nature of the superconducting order parameter of LiFeAs, one of the few stoichiometric iron-based superconductors. The observation of the Josephson current in c-axis junctions with a conventional s-wave superconductor as the counterelectrode indicates that the pairing symmetry in LiFeAs is not pure d-wave or pure spin-triplet p-wave. A superconducting gap is clearly observed in point contact Andreev reflection measurements performed on both Pb/LiFeAs and Au/LiFe…
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…
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_…
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…
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 …
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…
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 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…
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…
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…
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…
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…
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…
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…
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…
The particular shape of the Fermi surface can give rise to a number of collective quantum phenomena in solids, such as density wave orderings or even superconductivity. In many new iron superconductors this shape, the 'nested' Fermi surface, is indeed observed, but its role in the formation of spin-density waves or superconductivity is not clear. We have studied the electronic structure of the non-magnetic LiFeAs (Tc~18K) superconductor using angle-resolved photoemission spectroscopy. We find a notable absence of the Fermi surface nesting, strong renormalization of the conduction bands by a fa…
We report a de Haas-van Alphen (dHvA) oscillation study of the 111 iron pnictide superconductors LiFeAs with T_c ~18K and LiFeP with T_c~5K. We find that for both compounds the Fermi surface topology is in good agreement with density functional band-structure calculations and shows quasi-nested electron and hole bands. The effective masses generally show significant enhancement, up to ~3 for LiFeP and ~5 for LiFeAs. However, one hole Fermi surface in LiFeP shows a very small enhancement, as compared with its other sheets. This difference probably results from k-dependent coupling to spin fluct…
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 variations of in- and inter- plane London penetration depths, $Δλ(T)$, were measured using a tunnel diode resonator in single crystals of the intrinsic pnictide superconductor LiFeAs. This compound appears to be in the clean limit with a residual resistivity of 4 ($T\to0$) to 8 ($T_c$) $μΩ\cdot$cm and $RRR$ of 65 to 35, respectively. The superfluid density, $ρ_s(T)=λ^2(0)/λ^2(T)$, is well described by the self-consistent two-gap $γ-$model. Together with the previous data, our results support the universal evolution of the superconducting gap from nodeless to nodal upon departure from optim…
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…
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…
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 …
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 …
The relationship between unconventional superconductivity, antiferromagnetism and nematic order in iron-based superconductors (FeSCs) is still highly debated. In many FeSCs superconductivity is in proximity of a nematically and magnetically ordered state. LiFeAs is an exceptional stoichiometric FeSC becoming superconducting below 18 K, without undergoing a structural or magnetic transition. However, some recent experimental studies suggested the existence of finite nematic fluctuations and even a nematic superconducting state. In this study, we employ elastoresistance as a measure of nematic f…
The magnetic properties of LiFeAs, as single crystalline and polycrystalline samples, were investigated. The lower critical field deduced from the vortex penetration of two single crystals appears to be almost isotropic with a temperature dependence closer to that of two-gap superconductors. The parameters extracted from the reversible magnetizations of sintered polycrystalline samples are in good agreement with those from the single crystal data.
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.
Precise gap structure in LiFeAs (Tc = 18 K) given by ARPES studies offers us significant information to understand the pairing mechanism in iron-based superconductors. The most remarkable characteristics in LiFeAs gap structure would be that "the largest gap emerges on the tiny hole-pockets around Z point". This result had been naturally explained in terms of the orbital-fluctuation scenario (T. Saito et al., Phys. Rev. B 90, 035104 (2014)), whereas an opposite result is obtained by the spin-fluctuation scenario. In this paper, we study the gap structure in LiFeAs by taking the spin-orbit inte…
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…
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 superconducting (SC) properties of stoichiometric LiFeAs (Tc = 17 K) studied by small-angle neutron scattering (SANS) and angle-resolved photoemission (ARPES). Although the vortex lattice exhibits no long-range order, well-defined SANS rocking curves indicate better ordering than in chemically doped 122-compounds. The London penetration depth of 210 nm, determined from the magnetic field dependence of the form factor, is compared to that calculated from the ARPES band structure with no adjustable parameters. Its temperature dependence is best described by a single isotropic SC gap of…
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…
We have synthesized two iron-pnictide/chalcogenide materials, CuFeTe2 and Fe2As, which share crystallographic features with known iron-based superconductors, and carried out high-pressure electrical resistivity measurements on these materials to pressures in excess of 30 GPa. Both compounds crystallize in the Cu2Sb-type crystal structure that is characteristic of LiFeAs (with CuFeTe2 exhibiting a disordered variant). At ambient pressure, CuFeTe2 is a semiconductor and has been suggested to exhibit a spin-density-wave transition, while Fe2As is a metallic antiferromagnet. The electrical resisti…
We study LiFeP, LiFeAs and NaFeAs in their paramagnetic metallic phase including dynamical electronic correlations within a density functional theory + slave-spin mean-field framework. The three compounds are found to lie next to the crossover between a normal and a Hund's metal, where a region of enhanced electronic compressibility that may boost superconductivity is systematically present in this type of systems. We find that LiFeP lies in the normal metallic regime, LiFeAs at the crossover, and NaFeAs is in the Hund's metal regime, which possibly explains the different experimental trends f…
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 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…
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…
We analyze existing optical data in the superconducting state of LiFeAs at $T =$ 4 K, to recover its electron-boson spectral density. A maximum entropy technique is employed to extract the spectral density $I^2χ(ω)$ from the optical scattering rate. Care is taken to properly account for elastic impurity scattering which can importantly affect the optics in an $s$-wave superconductor, but does not eliminate the boson structure. We find a robust peak in $I^2χ(ω)$ centered about $Ω_R \cong$ 8.0 meV or 5.3 $k_B T_c$ (with $T_c =$ 17.6 K). Its position in energy agrees well with a similar structure…
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…
A crucial step in revealing the nature of unconventional superconductivity is to investigate the symmetry of the superconducting order parameter. Scanning tunneling spectroscopy has proven a powerful technique to probe this symmetry by measuring the quasiparticle interference (QPI) which sensitively depends on the superconducting pairing mechanism. A particularly well suited material to apply this technique is the stoichiometric superconductor LiFeAs as it features clean, charge neutral cleaved surfaces without surface states and a relatively high Tc~18K. Our data reveal that in LiFeAs the qua…
The lithium ions in Lithium iron arsenide phases with compositions close to LiFeAs have been located using powder neutron diffraction. These phases exhibit superconductivity at temperatures at least as high as 16 K demonstrating that superconductivity in compounds with [FeAs]- anti-PbO-type anionic layers occurs in compounds with at least three different structure types and occurs for a wide range of As-Fe-As bond angles.
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.
