We report density functional calculations of the electronic structure, Fermi surface, phonon spectrum, magnetism and electron-phonon coupling for the superconducting phase FeSe, as well as the related compounds FeS and FeTe. We find that the Fermi surface structure of these compounds is very similar to that of the Fe-As based superconductors, with cylindrical electron sections at the zone corner, cylindrical hole surface sections, and depending on the compound, other small hole sections at the zone center. As in the Fe-As based materials, these surfaces are separated by a 2D nesting vector at ($π$,$π$). The density of states, nesting and Fermi surface size increase going from FeSe to FeTe. Both FeSe and FeTe show spin density wave ground states, while FeS is close to an instability. In a scenario where superconductivity is mediated by spin fluctuations at the SDW nesting vector, the strongest superconductor in this series would be doped FeTe.
We carried out 57Fe Mossbauer measurements for FeSe and Fe1.08Te to investigate the magnetic properties. There was no sign of magnetic ordering above 4.2 K for superconducting FeSe. The magnetic sextet corresponding to antiferromagnetic ordering of Fe in low-spin state was observed for non-superconducting Fe1.08Te.
Tetragonal FeSe is a superconductor with a transition temperature Tc of 8 K and shows a huge enhancement of Tc with applying pressure. Tetragonal FeTe has a structure very analogous to superconducting FeSe, but does not show superconducting transition. We investigated the pressure effect of resistivity on FeTe. The resistivity at room temperature decreased with increasing pressure. An anomaly in resistivity around 80 K shifted towards a lower temperature with increasing pressure.
Solvothermal intercalation of ethylenediamine molecules into FeSe separates the layers by 1078 pm and creates a different stacking. FeSe(en)0.3 is not superconducting although each layer exhibits the stripe-type crystal structure and the Fermi surface topology of superconducting FeSe. FeSe(en)0.3 requires electron-doping for high-Tc similar to monolayers of FeSe@SrTiO3, whose much higher Tc may arise from the proximity of the oxide surface.
We have synthesized a Ba-doped FeSe superconductor using liquid ammonia, and investigated in detail the structure and composition of the Ba-FeSe phase. In the superconducting phase, both the Tc and the shielding fraction are almost unchanged even if the nominal composition of Ba is varied in the region from 0.3 to 0.7. The optimized Tc is 38.8 K. We have determined the structure of the superconducting phase with X-ray powder diffraction (using synchrotron radiation) and here describe the co-intercalation of Ba and NH3 molecules between the FeSe layers.
We have studied the effect of tensile strain on the superconductivity in FeSe films. 50 nm, 100 nm, and 200 nm FeSe films were grown on MgO, SrTiO$_3$, and LaAlO$_3$ substrates by using a pulsed laser deposition technique. X-ray diffraction analysis showed that the tetragonal phase is dominant in all of our FeSe films. The 50 nm FeSe films on MgO and SrTiO$_3$ are under tensile strain, while the 50 nm FeSe film on LaAlO$_3$ and the other thick FeSe films are unstrained. Superconducting transitions have been observed in unstrained FeSe films with T$_{onset}$ $\approx$ 8 K, which is close to the…
We report on the local electronic structure of oxygen incorporated FeTe and FeSe films and how this relates to superconductivity observed in these films. In the case of FeTe, intially grown films are measured to be non-superconducting, but become superconducting following oxygen incorporation. In FeSe the opposite happens, initially grown films are measured to be superconducting, but experience a quenching of superconductivity following oxygen incorporation. Total Fluorescence Yield (TFY) X-ray absorption experiments show that oxygen incorporation changes the initial Fe valence state in both t…
Understanding the superconductivity at the interface of FeSe/SrTiO3 is a problem of great contemporary interest due to the significant increase in critical temperature (Tc) compared to that of bulk FeSe, as well as the possibility of an unconventional pairing mechanism and topological superconductivity. We report a study of the influence of a capping layer on superconductivity in thin films of FeSe grown on SrTiO3 using molecular beam epitaxy. We used in vacuo four-probe electrical resistance measurements and ex situ magneto-transport measurements to examine the effect of three capping layers …
We report comprehensive angle-resolved photoemission investigations on the electronic structure of single crystal multiple-layer FeSe films grown on CaF2 substrate by pulsed laser deposition (PLD) method. Measurements on FeSe/CaF2 samples with different superconducting transition temperatures Tc of 4 K, 9 K and 14 K reveal electronic difference in their Fermi surface and band structure. Indication of the nematic phase transition is observed from temperature-dependent measurements of these samples; the nematic transition temperature is 140-160 K, much higher than 90 K for the bulk FeSe. Potassi…
We show that the superconducting transition temperature Tc of FeSe1-xTex can be computed to reasonable values in a modified McMillan approach in which the electron-phonon coupling is amplified by the antiferromagnetism and the out-of-plane phonons triggered by the tetrahedral lattice sites. This interplay is not only effective at ambient pressure, but also under hydrostatic compression. According to our model, the theoretical Tc of the compressed FeSe0.5Te0.5 agrees with experiment results. More importantly, by taking into account the interfacial effect between an FeSe monolayer and its SrTiO3…
Monolayer films of FeSe grown on SrTiO$_3$ substrates exhibit significantly higher superconducting transition temperatures than those of bulk FeSe. Interaction of electrons in the FeSe layer with dipolar SrTiO$_3$ phonons has been suggested as the cause of the enhanced transition temperature. In this paper we systematically study the coupling of SrTiO$_3$ longitudinal optical phonons to the FeSe electron, including also electron-electron Coulomb interactions at the random phase approximation level. We find that the electron-phonon interaction between FeSe and SrTiO$_3$ substrate is almost enti…
Single crystal synchrotron X-ray diffraction as a function of temperature and pressure has revealed a complex biphase mixture in superconducting FeSe. Based on our experimental results we construct a phase diagram where structural behavior and superconducting properties of FeSe are found to be correlated. We show that below 6 GPa, where pressure promotes the superconducting critical temperature, the FeSe structure is composed of 2D layers of edge-shared FeSe4 tetrahedra, while above 6 GPa the superconductivity is strongly suppressed on formation of a new orthorhombic polymorph characterized by…
Monolayer FeSe grown on SrTiO$_3$ provides a new playground for high-Tc superconductivity. A recent study shows the importance of stripy instability for superconductivity enhancement in FeSe/SrTiO3. However, it is still under debate whether such a stripe phase is ubiquitously bound to the interfacial superconductivity. Here, we report on molecular beam epitaxy growth and low-temperature scanning tunneling microscopy study of FeSe films on BaTiO$_3$(001). We find that the stripe phase is more prominent in FeSe/BaTiO$_3$. Long-range stripes exist in bilayer and triple-layer FeSe films at 4 K and…
The strong fascination exerted by the binary compound of FeSe demands reliable engineering protocols and more effective approaches towards inducing superconductivity in FeSe thin films. Our study addresses the peculiarities in pulsed laser deposition which determine FeSe thin film growth and focuses on the film/substrate interface, the tendency for domain matching epitaxial growth but also the disadvantage of chemical heterogeneity. We propose that homogenization of the substrate surface improves the control of stoichiometry, texture, and nanostrain in a way that favors superconductivity even …
To elucidate the mechanisms behind the enhanced $T_c$ in monolayer (1ML) FeSe on SrTiO$_3$ (STO), we grew highly strained 1ML FeSe on the rectangular (100) face of rutile TiO$_2$, and observed the coexistence of replica bands and superconductivity with a $T_c$ of 63 K. From the similar $T_c$ between this system and 1ML FeSe on STO (001), we conclude that strain and dielectric constant are likely unimportant to the enhanced $T_c$ in these systems. A systematic comparison of 1ML FeSe on TiO$_2$ with other systems in the FeSe family shows that while charge transfer alone can enhance $T_c$, it is …
Superconducting transition temperature (Tc) and critical current density (Jc) are two key factors that are not only crucial for probing high-temperature superconducting mechanisms, but also for practical applications. The simple crystal structure of FeSe is very favorable for the fabrication of thin films and wires, but its application is limited by the relatively low Tc and small Jc. A previous study has found that the Tc of FeSe can be significantly enhanced over 40 K by using the protonation method. Here, we present a systematic study of Jc and vortex properties of H+-intercalated FeSe (Hx-…
We report protonation in several compounds by an ionic-liquid-gating method, with optimized gating conditions. This leads to single superconducting phases for several compounds. Non-volatility of protons allow post-gating magnetization and transport measurements. The superconducting transition temperature $T_C$ is enhanced to 43.5~K for FeSe$_{0.93}$S$_{0.07}$, and 41~K for FeSe after protonation. Superconductivity with $T_c$$\approx$15~K for ZrNCl, $\approx$7.2~K for 1$T$-TaS$_2$, and $\approx$3.8~K for Bi$_2$Se$_3$ are induced after protonation. Electric transport in protonated FeSe$_{0.93}$…
The transition from insulator to superconductor was achieved in the non-superconducting FeSe ultrathin film via simple Mg coating technique in present work. It was found that in non-superconducting FeSe ultrathin film without Mg coating, insulating \b{eta}-Fe1-xSe phase with iron-vacancy disorders is the main phase and more likely to be the parent phase of FeSe superconducting system. Proper Mg coating on the surface of FeSe films can lead to Mg entering FeSe crystal lattice to fill up these Fe vacancies rather than replace Fe. Simultaneously, additional electron doping is introduced and the e…
Among the recently discovered iron-based superconductors, ultrathin films of FeSe grown on SrTiO3 substrates have uniquely evolved into a high superconducting-transition-temperature (TC) material. The mechanisms for the high-TC superconductivity are ongoing debate mainly with the superconducting gap characterized with in-situ analysis for FeSe films grown by bottom-up molecular-beam epitaxy. Here, we demonstrate the alternative access to investigate the high-TC superconductivity in ultrathin FeSe with top-down electrochemical etching technique in three-terminal transistor configuration. In add…
The enhanced superconductivity in monolayer FeSe on titanates opens a fascinating pathway towards the rational design of high-temperature superconductors. Utilizing the state-of-the-art oxide plus chalcogenide molecular beam epitaxy systems in situ connected to a synchrotron angle-resolved photoemission spectroscope, epitaxial LaTiO3 layers with varied atomic thicknesses are inserted between monolayer FeSe and SrTiO3, for systematic modulation of interfacial chemical potential.With the dramatic increase of electron accumulation at the LaTiO3-SrTiO3 surface, providing a substantial surge of wor…
Synthesis, electrical and magnetic characterization of superconducting FeSe0.85 compound is reported. An anomaly in the magnetization against temperature around 90K is observed. Magnetic characterization of a commercial compound with nominal FeSe stoichiometry is also presented. The overall magnetic behaviors as well as the magnetic anomaly in both compounds are discussed in terms of magnetic impurities and secondary phases. Keyword: A. Superconductors
Effective low-energy Hamiltonians for several different families of iron-based superconductors are compared after deriving them from the downfolding scheme based on first-principles calculations. Systematic dependences of the derived model parameters on the families are elucidated, many of which are understood from the systematic variation of the covalency between Fe-3d and pnictogen-/chalcogen-p orbitals.
We report the superconductivity evolution of one unit cell (1-UC) and 2-UC FeSe films on SrTiO3(001) substrates with potassium (K) adsorption. By in situ scanning tunneling spectroscopy measurement, we find that the superconductivity in 1-UC FeSe films is continuously suppressed with increasing K coverage, whereas non-superconducting 2-UC FeSe films become superconducting with a gap of ~17 meV or ~11 meV depending on whether the underlying 1-UC films are superconducting or not. This work explicitly reveals that the interface electron-phonon coupling is strongly related to the charge transfer a…
We prepared single unit cell FeSe films on GaO$_{2-δ}$ terminated perovskite NdGaO$_{3}$(110) substrates and performed ex situ transport and scanning transmission electron microscopy measurements on the FeTe protected films. Our experimental measurements showed that the single unit cell FeSe films interfaced with GaO$_{2-δ}$ layer are electron doped via interface charge transfer. Most importantly, this type of heterostructure can host interface enhanced superconductivity with an onset temperature of about 28 K, which is much higher than the value of 8 K in bulk FeSe. Our work indicates that Fe…
The high temperature superconductivity in single-unit-cell (1UC) FeSe on SrTiO3 (STO)(001) and the observation of replica bands by angle-resolved photoemission spectroscopy (ARPES) have led to the conjecture that the coupling between FeSe electron and the STO phonon is responsible for the enhancement of Tc over other FeSe-based superconductors1,2. However the recent observation of a similar superconducting gap in FeSe grown on the (110) surface of STO raises the question of whether a similar mechanism applies3,4. Here we report the ARPES study of the electronic structure of FeSe grown on STO(1…
The successful fabrication of one monolayer FeSe on SrTiO$_{3}$ represented a real breakthrough in searching for high-T$_{c}$ Fe-based superconductors (Ref. 1). Motivated by this important discovery, we studied the effects of tensile strain on one monolayer and bulk iron-chalcogenide superconductors (FeSe and FeTe), showing that it produces important magnetic and electronic changes in the systems. We found that the magnetic ground state of bulk and monolayer FeSe is the block-checkerboard phase, which turns into the collinear stripe phase under in plane tensile strain. FeTe, in both bulk and m…
Single crystals FeSe_x have been grown in evacuated sealed quartz tube using a NaCl/KCl flux. The products include two crystal structures of tetragon and hexagon. The electronic transport and magnetic properties measurements of FeSe_x single crystal exhibits a superconducting transition at about 10K.
We investigated chemical pressure effects in electron-doped (e-doped) FeSe by fabricating an electric-double-layer structure with single crystalline FeSe films on LaAlO$_3$ with Se substituted by isovalent Te and S. Our method enables transport measurements of e-doped FeSe. Electron doping by applying gate voltage of 5 V increases $T_{\mathrm c}$ of the FeSe$_{1-x}$Te$_x$ and FeSe$_{1-y}$S$_y$ films with $0 \leq x \leq 0.4$ and $0 \leq y \leq 0.25$, while the e-doped $x=0.5$ film showed lower $T_{\mathrm c}$ than that of the undoped one. Both positive and chemical pressure suppress $T_{\mathrm…
The influence of uniform pressures $P$ up to 5 kbar on the superconducting transition temperature $T_c$ was studied for the FeSe$_{1-x}$Te$_x$ ($x=0$, 0.85, 0.88 and 0.9) system. For the first time, we observed a change in sign of the pressure effect on $T_c$ when going from FeSe to tellurium rich alloys. This has allowed to specify the pressure derivative d$T_c$/d$P$ for the system as a function of composition. The observed dependence was compared with results of the {\em ab initio} calculations of electronic structure and magnetism of FeSe, FeTe and FeSe$_{0.5}$Te$_{0.5}$, and also with our …
We report scanning tunnelling microscopy and spectroscopy (STM/STS) studies on one and two unit cell (UC) high FeSe thin films grown on Bi$_2$Se$_3$(0001). In our thin films, we find the tetragonal phase of FeSe and dumb-bell shaped defects oriented along Se-Se bond directions. In addition, we observe striped moiré patterns with a periodicity of ($7.3\pm 0.1$) nm generated by the mismatch between the FeSe lattice and the Bi$_2$Se$_3$ lattice. We could not find any signature of a superconducting gap in the tunneling spectra measured on the surface of one and two UC thick islands of FeSe down to…
Based on recent high-resolution angle-resolved photoemission spectroscopy measurement in monolayer FeSe grown on SrTiO$_{3}$, we constructed a tight-binding model and proposed a superconducting (SC) pairing function which can well fit the observed band structure and SC gap anisotropy. Then we investigated the spin excitation spectra in order to determine the possible sign structure of the SC order parameter. We found that a resonance-like spin excitation may occur if the SC order parameter changes sign along the Fermi surfaces. However, this resonance is located at different locations in momen…
Since the dramatic interface enhancement of superconducting transition temperature (Tc) was reported in one unit-cell FeSe film grown on SrTiO3 substrate (1-UC FeSe/STO) by molecular beam epitaxy (MBE), related research on this system has become a new frontier in condensed matter physics. In this paper, we present a brief review on this rapidly developing field, mainly focusing on the superconducting properties of 1-UC FeSe/STO. Experimental evidences for the high-temperature superconductivity in 1-UC FeSe/STO, including the direct evidences revealed by transport and diamagnetic measurements, …
Iron selenide (FeSe) is an iron-based superconductor which shows unique properties, including strongly anisotropic superconducting gap, paramagnetism in undoped compound and extremely small Fermi pocket size. In this work, we demonstrate that the sizes of electron and hole pockets in FeSe monolayer become much smaller than those in bulk. The Fermi energy is in the order of a few meV and can be fine-tuned by the thickness of graphene layers underneath. Despite the low carrier density, the FeSe monolayers grown on trilayer or multi-layer graphene are superconducting. The superconducting gap size…
We report on the emergence of two disconnected superconducting domes in alkali-metal potassium (K)-doped FeSe ultra-thin films grown on graphitized SiC(0001). The superconductivity exhibits hypersensitivity to K dosage in the lower-Tc dome, whereas in the heavily electron-doped higher-Tc dome it becomes spatially homogeneous and robust against disorder, supportive of a conventional Cooper-pairing mechanism. Furthermore, the heavily K-doped multilayer FeSe films all reveal a large superconducting gap of ~ 14 meV, irrespective of film thickness, verifying the higher-Tc superconductivity only in …
The electronic structure of the strained FeSe0.5Te0.5 superconductor has been investigated from first principles. Our calculation results indicate that the influence of hydrostatic, biaxial or uniaxial compressive stress on the density of states at the Fermi level is insignificant. The overall shape of the Fermi-surface (FS) nesting function for FeSe0.5Te0.5 at ambient pressure resembles that of its parent compound, FeSe, but under the ab-plane compressive strain. In these two systems, changes of their FSs under various stress conditions are qualitatively almost the same. However, in FeSe0.5Te…
Interface-enhanced high-temperature superconductivity in one unit-cell (UC) FeSe film on SrTiO3(001) (STO) substrate has recently attracted much attention in condensed matter physics and material science. Here, by ex situ transport measurements, we report on the superconductivity in FeSe ultra-thin films with different thickness on STO substrate. We find that the onset superconducting transition temperature (Tc) decreases with increasing film thickness of FeSe, which is opposite to the behavior usually observed in traditional superconductor films. By systematic post-annealing of 5 UC FeSe film…
Inelastic neutron-scattering experiments have been carried out on polycrystalline samples of the FeSe$_{1-x}$ superconductors. We report the phonon density of states for FeSe$_{1-x}$ with Tc$\approx$8 K. The phonon cutoff frequency is observed around 40 meV. No significant change is observed across the superconducting transition. The measurements support the published first-principles calculations [A. Subedi et al., Phys. Rev. B \textbf{78}, 134514 (2008)].
It was observed recently (K. Shigekawa et al, PNAS 116, 2470 (2019)) that while monolayer iron chalcigenide FeSe on SrTiO3 (STO) substrate has a very high critical temperature, its chemical and structural "twin" material FeS=STO has a very low Tc if any. To explain this the substrate interfacial phonon model of superconductivity in iron chalcogenides is further developed. The main glue is the oxygen ion (60mev) vibrations longitudinal optical (LO) mode. The mode propagates mainly in the TiO2 layer adjacent to the monolayer (and genrally present also in similar highly polarized ionic crystals l…
The iron-based superconductor FeSe offers a unique possibility to study the interplay of superconductivity with purely nematic as well magnetic-nematic order by pressure (p) tuning. By measuring specific heat under p up to 2.36GPa, we study the multiple phases in FeSe using a thermodynamic probe. We conclude that superconductivity is bulk across the entire p range and competes with magnetism. Our analysis suggests that superconducting and magnetic fluctuations exist over a wide temperature range above the respective bulk transition temperatures, whenever magnetism is present. These observation…
A polycrystalline sample of FeSe, which adopts the tetragonal PbO-type structure (P4/nmm) at room temperature, has been prepared using solid state reaction. We have investigated pressure-induced structural changes in tetragonal FeSe at varying hydrostatic pressures up to 0.6 GPa in the orthorhombic (T = 50 K) and tetragonal (T = 190 K) phases using high resolution neutron powder diffraction. We report that the structure is quite compressible with a Bulk modulus around 31 GPa to 33 GPa and that the pressure response is anisotropic with a larger compressibility along the c-axis. Key bond angles …
Iron-based superconductors are well known for their complex interplay between structure, magnetism and superconductivity. FeSe offers a particularly fascinating example. This material has been intensely discussed because of its extended nematic phase, whose relationship with magnetism is not obvious. Superconductivity in FeSe is highly tunable, with the superconducting transition temperature, $T_\mathrm{c}$, ranging from 8 K in bulk single crystals at ambient pressure to almost 40 K under pressure or in intercalated systems, and to even higher temperatures in thin films. In this topical review…
FeSe$_{1-x}$Te$_{x}$ thin films with PbO-type structure are successfully grown on MgO(100) and LaSrAlO$_{4}$(001) substrates from FeSe$_{1-x}$Te$_{x+d}$ polycrystalline targets by pulsed-laser deposition. The film deposited on the MgO substrate (film thickness $\sim$ 63 nm) shows superconductivity at 6.7 K (onset) and 5.5 K (zero resistivity). On the other hand, the film deposited on the LaSrAlO$_{4}$ substrate (film thickness $\sim$ 52 nm) exhibits only the onset of superconducting transition at 2.6 K, but does not show zero resistivity. This indicates the strong influence of epitaxial strain…
The coupling between superconductivity and othorhombic distortion is studied in vapor-grown FeSe single crystals using high-resolution thermal-expansion measurements. In contrast to the Ba122-based (Ba122) superconductors, we find that superconductivity does not reduce the orthorhombicity below Tc. Instead we find that superconductivity couples strongly to the in-plane area, which explains the large hydrostatic pressure effects. We discuss our results in light of the spinnematic scenario and argue that FeSe has many features quite different from the typical Fe-based superconductors.
Monolayer films of FeSe grown on SrTiO$_3$ substrates are electron doped relative to bulk and exhibit a significantly higher superconducting transition temperatures. We present density functional calculations and a modified Schottky model incorporating the strong paraelectricity of SrTiO$_3$ which demonstrate that the doping may be due to charge transfer from SrTiO$_3$ impurity bands driven by work function mismatch. Physically relevant levels of Nb doping are shown to lead to doping of the FeSe compatible with observation. The coupling of electrons in FeSe to polar phonons in the depletion re…
The discovery of higher-temperature superconductivity in FeSe monolayers on SrTiO$_3$ (STO) substrates has sparked a surge of interest in the interface superconductivity. One point of the agreement reached to date is that modulation doping by impurities in the substrate is critical for the enhanced superconductivity. Remarkably, the universal doping of about 0.1 electrons per Fe, \textit{i.e.}, so-called ``magic'' doping, has been observed on a range of Ti oxide substrates, which concludes that there likely is some important interaction limiting the FeSe doping. Our study discovers that the po…
Recently, interface has been employed to enhance superconductivity in the single-layer FeSe films grown on SrTiO3(001)(STO) with a possible Tc of ~ 80 K, which is nearly ten times of the Tc of bulk FeSe and is above the Tc record of 56 K for the bulk Fe-based superconductors. This work together with those on superconducting oxides interfaces revives the long-standing idea that electron pairing at a two-dimensional (2D) interface between two different materials is a potential path to high transition temperature (Tc) superconductivity. Subsequent angle-resolved photoemission spectroscopy (ARPES)…
Superconductivity with transition temperature Tc above 40 K was observed in protonated FeSe (Hy-FeSe) previously with the ionic liquid of EMIM-BF4 used in the electrochemical process. However, the real superconducting phase is not clear until now, and detailed structural, magnetization and electrical transport measurements are lacking. By using similar protonating technique on FeSe single crystals, we obtained superconducting samples with Tc above 40 K. We show that the obtained superconducting phase is not Hy-FeSe but actually an organic-ion (C6H11N2+ referred to as EMIM+)-intercalated phase …
To study the microscopic electronic and magnetic interactions in the substoichiometric iron chalcogenide FeSe$_{1-x}$ which is observed to superconduct at x~1/8 up to $T_c$=27 K, we use first principles methods to study the Se vacancy in this nearly magnetic FeSe system. The vacancy forms a ferrimagnetic cluster of eight Fe atoms, which for the ordered x=1/8 alloy leads to half metallic conduction. Similar magnetic clusters are obtained for FeTe$_{1-x}$ and for BaFe$_2$As$_2$ with an As vacancy, although neither of these are half metallic. Based on fixed spin density results, we suggest the lo…
Synthesis of monolayer FeSe on SrTiO3, with greatly enhanced superconductivity compared to bulk FeSe, remains difficult. Lengthy annealing within a certain temperature window is always required to achieve superconducting samples as reported by different groups around the world, but the mechanism of annealing in inducing superconductivity has not been elucidated. We grow FeSe films on SrTiO3 by molecular beam epitaxy and adjust the stoichiometry by depositing additional small amounts of Fe atoms. The monolayer films become superconducting after the Fe deposition without any annealing, and show …
The influence of tensile strain in the ab-plane on crystal and electronic structure of FeTe has been studied ab initio. In superconducting FeSe the Fermi surface nesting with a vector q~(0.5,0.5)(2π/a) is believed to be crucial for rising superconductivity mediated by spin-fluctuations. The results presented here indicate that tensile-strained FeTe also exhibits such conditions. Furthermore, the Fermi surface changes, related to the increase of the lattice parameter a of this telluride, are opposite to analogous effects reported for FeSe. Since a recently reported transition from the double-st…
We report an inelastic x-ray scattering investigation of phonons in FeSe superconductor. Comparing the experimental phonon dispersion with density functional theory (DFT) calculations in the non-magnetic state, we found a significant disagreement between them. Improved overall agreement was obtained by allowing for spin-polarization in the DFT calculations, despite the absence of magnetic order in the experiment. This calculation gives a realistic approximation, at DFT level, of the disordered paramagnetic state of FeSe, in which strong spin fluctuations are present.
We review a variety of theoretical and experimental results concerning electronic band structure of superconducting materials based on FeSe monolayers. Three type of systems are analyzed: intercalated FeSe systems A_xFe_2Se_{2-x}S_x and [Li_{1-x}Fe_xOH]FeSe as well as the single FeSe layer films on SrTiO_3 substrate. We present the results of detailed first principle electronic band structure calculations for these systems together with comparison with some experimental ARPES data. The electronic structure of these systems is rather different from that of typical FeAs superconductors, which is…
The effect of Co doping on supercoductivity of FeSe$_{0.4}$Te$_{0.6}$ single crystals is investigated. The superconducting transition temperature decreases linearly for Co doping with the rate -0.75 K/(Co %). On the other hand, the residual resistivity increase is less than 50 $/mu/Omega$cm for 4 % Co doping. These data are consistent with the sign changing interband scattering mechanism of superconductivity ($s_/pm$ symmetry).
Based on first principle calculations we have investigated the evolution of magnetism in free-standing monolayer FeSe with respect to lattice constant and magnetism in bulk FeSe. The computational results show that the magnetic order in free-standing monolayer FeSe will change from anti-ferromagnetic pair-checkboard order to stripe collinear order along with enlarging lattice constant. The magnetic order in bulk FeSe will change from stripe collinear order to anti-ferromagnetic pair-checkboard order only if structure reconstruction is allowed. We use J$_1$-J$_2$-K$_1$ model to fit the calculat…
Superconductivity is significantly enhanced in monolayer FeSe grown on SrTiO3, but not for multilayer films, in which large strength of nematicity develops. However, the link between the high-transition temperature superconductivity in monolayer and the correlation related nematicity in multilayer FeSe films is not well understood. Here, we use low-temperature scanning tunneling microscopy to study few-layer FeSe thin films grown by molecular beam epitaxy. We observe an incommensurate long-range smectic phase, which solely appears in bilayer FeSe films. The smectic order still locally exists a…
