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(110). Similar to the results in FeSe/STO(001), clear replica bands are observed. We also present a comparative study of STO (001) and STO(110) bare surfaces, where photo doping generates metallic surface states. Similar replica bands separating from the main band by approximately the same energy are observed, indicating this coupling is a generic feature of the STO surfaces and interfaces. Our findings suggest that the large superconducting gaps observed in FeSe films grown on two different STO surface terminations are likely enhanced by a common coupling between FeSe electrons and STO phonons.
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…
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…
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…
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$8 K. The phonon cutoff frequency is observed around 40 meV. No significant change is observed across the superconducting transition. The measurements support the published first-principles calculations [A. Subedi et al., Phys. Rev. B \textbf{78}, 134514 (2008)].
Monolayer films of FeSe grown on SrTiO$_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 significant role of interfacial coupling on the superconductivity enhancement in FeSe films on SrTiO3 has been widely recognized. But the explicit origination of this coupling is yet to be identified. Here by surface phonon measurements using high resolution electron energy loss spectroscopy, we found electric field generated by Fuchs-Kliewer (F-K) phonon modes of SrTiO3 can penetrate into FeSe films and strongly interact with electrons therein. The mode-specific electron-phonon coupling (EPC) constant for the ~92 meV F-K phonon is ~0.25 in the single-layer FeSe on SrTiO3. With increasing …
The discovery of an enhanced superconducting transition temperature $T_c$ in monolayers of FeSe grown on several oxide substrates has opened a new route to high-$T_c$ superconductivity through interface engineering. One proposal for the origin of the observed enhancement is an electron-phonon (e-ph) interaction across the interface that peaked at small momentum transfers. In this paper, we examine the implications of such a coupling on the phononic properties of the system. We show that a strong forward scattering leads to a sizable broadening of phonon lineshape, which may result in charge in…
Interface charge transfer and electron-phonon coupling have been suggested to play a crucial role in the recently discovered high-temperature superconductivity of single unit-cell FeSe films on SrTiO3. However, their origin remains elusive. Here, using ultraviolet photoemission spectroscopy (UPS) and element-sensitive X-ray photoemission spectroscopy (XPS), we identify the strengthened Ti-O bond that contributes to the interface enhanced electron-phonon coupling and unveil the band bending at the FeSe/SrTiO3 interface that leads to the charge transfer from SrTiO3 to FeSe films. We also observe…
Mono- and multilayer FeSe thin films grown on SrTiO$_\mathrm{3}$ and BiTiO$_\mathrm{3}$ substrates exhibit a greatly enhanced superconductivity over that found in bulk FeSe. A number of proposals have been advanced for the mechanism of this enhancement. One possibility is the introduction of a cross-interface electron-phonon ($e$-$ph$) interaction between the FeSe electrons and oxygen phonons in the substrates that is peaked in the forward scattering (small ${\bf q}$) direction due to the two-dimensional nature of the interface system. Motivated by this, we explore the consequences of such an …
Using a microscopic model of lattice vibrations in the STO(001) substrate, an additional 50 mev longitudinal optical (LO) interface mode is identified. The soft mode propagating mainly in the first TiO2 layer ("O chains") has stronger electron - phonon coupling to electron gas in FeSe than a well known 100 mev hard mode. The coupling constant, critical temperature, replica band are calculated. Although there exists a forward in the electron - phonon scattering peak, it is clearly not as sharp as assumed in recent theories (delta function - like). The satellite is broad and its peak appears at …
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…
We investigate the effects of electron-phonon coupling, as well as of spin and charge fluctuations on the superconducting state in a single layer of FeSe on SrTiO$_3$ substrate. These three bosonic mediators of Cooper pairing are treated on equal footing in a multichannel, full-bandwidth, multiband, and anisotropic Eliashberg theory of the interacting state. Our self-consistent calculations show that an s-wave symmetry of the superconducting gap is compatible only with a complete absence of spin fluctuations. When spin fluctuations are present, the sign-changing nodeless d-wave pairing symmetr…
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 …
Alkali-metal (potassium) adsorption on FeSe thin films with thickness from two unit cells (UC) to 4-UC on SrTiO3 grown by molecular beam epitaxy is investigated with a low-temperature scanning tunneling microscope. At appropriate potassium coverage (0.2-0.3 monolayer), the tunneling spectra of the films all exhibit a superconducting-like gap larger than 11 meV (five times the gap value of bulk FeSe), and two distinct features of characteristic phonon modes at 11 meV and 21 meV. The results reveal the critical role of the interface enhanced electron-phonon coupling for possible high temperature…
We have computed the correlated electronic structure of FeSe and its dependence on the A1g mode versus compression. Using the self-consistent density functional theory - dynamical mean field theory (DFT-DMFT) with continuous time quantum Monte Carlo (CTQMC), we find that there is greatly enhanced coupling between some correlated electron states and the A1g lattice distortion. Superconductivity in FeSe shows a very strong sensitivity to pressure, with an increase in Tc of almost a factor of 5 within a few GPa, followed by a drop, despite monotonic pressure dependence of almost all electronic pr…
We examine the impact of interfacial phonons on the superconducting state of FeSe/SrTiO$_3$ developing a material's specific multiband, full bandwidth, and anisotropic Eliashberg theory for this system. Our self-consistent calculations highlight the importance of the interfacial electron-phonon interaction, which is hidden behind the seemingly weak-coupling constant λ$_m$ = 0.4, in mediating the high T$_c$, and explain other puzzling experimental observations, such as the s-wave symmetry and replica bands. We discover that the formation of replica bands has a T$_c$ decreasing effect that is ne…
We report interesting anomalies in the temperature dependent Raman spectra of FeSe$_{0.82}$ measured from 3K to 300K in the spectral range from 60 to 1800 cm$^{-1}$ and determine their origin using complementary first-principles density functional calculations. A phonon mode near 100 cm$^{-1}$ exhibits a sharp increase by $\sim$ 5% in frequency below a temperature T$_s$ ($\sim$ 100 K) attributed to strong spin-phonon coupling and onset of short-range antiferromagnetic order. In addition, two high frequency modes are observed at 1350 cm$^{-1}$ and 1600 cm$^{-1}$, attributed to electronic Raman …
We report on the phonon spectrum probed at the $β$--FeSe(001) surface by means of high-resolution electron energy-loss spectroscopy (HREELS). Single crystals of $β$--FeSe are cleaved under ultra-high vacuum conditions and are subsequently measured below and above the nematic transition temperature. In total we observe five phonon modes and a phonon cutoff energy of about 40 meV. We identify the origin of each phonon mode based on the selection rules of HREELS and by comparing the experimental results to the ones of \emph{ab initio} density functional calculations. The most prominent phonon mod…
We show that electron-phonon coupling can induce strong electron pairing in an FeSe monolayer on a SrTiO3 substrate (experimental indications for superconducting Tc are between 65 and 109K). The role of the SrTiO3 substrate in increasing the coupling is two-fold. First, the interaction of the FeSe and TiO2 terminated face of SrTiO3 prevents the FeSe monolayer from undergoing a shear-type (orthorhombic, nematic) structural phase transition. Second, the substrate allows an anti-ferromagnetic ground state of FeSe which opens electron-phonon coupling channels within the monolayer that are prevente…
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 study the electron-phonon coupling strength near the interface of monolayer and bilayer FeSe thin films on SrTiO$_3$, BaTiO$_3$, and oxygen-vacant SrTiO$_3$ substrates, using ab initio methods. The calculated total electron-phonon coupling strength $λ=0.2\text{--}0.3$ cannot account for the high $T_c\sim 70$ K observed in these systems through the conventional phonon-mediated pairing mechanism. In all of these systems, however, we find that the coupling constant of a polar oxygen branch peaks at $\mathbf{q}=0$ with negligible coupling elsewhere, while the energy of this mode coincides with …
A high-frequency optical phonon mode of SrTiO3 (STO) was found to assist the high-temperature superconductivity observed recently at the interface between monolayer FeSe and STO substrate. However, the origin of this mode is not clear. Through first-principles calculations, we find that there is a novel polar phonon mode on the surface layers of the STO substrate, which does not exist in the STO crystals. The oxygen vacancies near the FeSe/STO interface drives the dispersion of this phonon mode to be flat and lowers its energy, whereas the charge transfer between STO substrate and FeSe monolay…
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.
The temperature and pressure dependence of the partial density of phonon states of iron atoms in superconducting Fe1.01Se was studied by 57Fe nuclear inelastic scattering (NIS). The high energy resolution allows for a detailed observation of spectral properties. A sharpening of the optical phonon modes and shift of all spectral features towards higher energies by ~4% with decreasing temperature from 296 K to 10 K was found. However, no detectable change at the tetragonal - orthorhombic phase transition around 100 K was observed. Application of a pressure of 6.7 GPa, connected with an increase …
Ultrathin FeSe films grown on SrTiO$_{3}$ substrates are a recent milestone in atomic material engineering due to their important role in understanding unconventional superconductivity in Fe-based materials. Using femtosecond time- and angle-resolved photoelectron spectroscopy, we study phonon frequencies in ultrathin FeSe/SrTiO$_{3}$ films grown by molecular beam epitaxy. After optical excitation, we observe periodic modulations of the photoelectron spectrum as a function of pump-probe delay for 1 unit cell, 3 unit cell, and 60 unit cell thick FeSe films. The frequencies of the coherent inten…
The recent observation of replica bands in single-layer FeSe/SrTiO$_3$ by angle-resolved photoemission spectroscopy (ARPES) has triggered intense discussions concerning the potential influence of the FeSe electrons coupling with substrate phonons on the superconducting transition temperature. Here we provide strong evidence that the replica bands observed in the single-layer FeSe/SrTiO$_3$ system and several other cases are largely due to the energy loss processes of the escaping photoelectron, resulted from the well-known strong coupling of external propagating electrons to Fuchs-Kliewer (F-K…
Charge transfer and electron-phonon coupling (EPC) are proposed to be two important constituents associated with enhanced superconductivity in the single unit cell FeSe films on oxide surfaces. Using high-resolution electron energy loss spectroscopy combined with first-principles calculations, we have explored the lattice dynamics of ultrathin FeSe films grown on SrTiO3. We show that, despite the significant effect from the substrate on the electronic structure and superconductivity of the system, the FeSe phonons in the films are unaffected. The energy dispersion and linewidth associated with…
Quasiparticle dynamics of FeSe single crystals revealed by dual-color transient reflectivity measurements (ΔR/R) provides unprecedented information on Fe-based superconductors. The amplitude of fast component in ΔR/R clearly tells a competing scenario between spin fluctuations and superconductivity. Together with the transport measurements, the relaxation time analysis further exhibits anomalous changes at 90 K and 230 K. The former manifests a structure phase transition as well as the associated phonon softening. The latter suggests a previously overlooked phase transition or crossover in FeS…
We study the effect of combining spin fluctuations and forward scattering electron-phonon ({\eph}) coupling on the superconductivity in the FeSe/SrTiO$_3$ system modeled by a phenomenological two-band Hubbard model with long-range {\eph} interactions. We treat the electron and phonon degrees of freedom on an equal footing using a \emph{fully} self-consistent FLEX plus Migdal-Eliashberg calculation, which includes a self-consistent determination of the spin fluctuation spectrum. Based on FeSe monolayers, we focus on the case where one of the bands lies below the Fermi level (i.e. incipient), an…
We showed that the all phonons -- not only forward-scattering phonon but also local (all-momentum-scattering) phonon -- contribute to boosting $T_c$ of the $s^{\pm}$-wave pairing state in the incipient band model. In particular, when the incipient band sinks deeper, the phonon boost effect of the local phonon increases and becomes as effective as the one of the forward-scattering phonon. Our finding implies that all interface phonons -- not only the 90 $meV$ Fuchs-Kliewer (F-K) phonon but also the 60 $meV$ F-K phonon -- from the SrTiO$_3$ substrate and all intrinsic phonons of the FeSe monolay…
The recent observation of high-temperature superconductivity in one unit cell thick FeSe on SrTiO3 (1UC FeSe/STO)1 initiated a new pathway to realizing even higher transition temperature (Tc) superconductors and established a promising different paradigm to understand the mechanism of high temperature superconductivity2-10. However, independent confirmation on the high Tc value, the role of capping layer in reducing Tc, and the underlying mechanism of the novel superconductivity remain open questions11. Here we report a time-resolved study of the excited state ultrafast dynamics of 1UC FeSe/ST…
The observation of replica bands by angle-resolved photoemission spectroscopy has ignited interest in the study of electron-phonon coupling at low carrier densities, particularly in monolayer FeSe/SrTiO$_3$, where the appearance of replica bands has motivated theoretical work suggesting that the interfacial coupling of electrons in the FeSe layer to optical phonons in the SrTiO$_3$ substrate might contribute to the enhanced superconducting pairing temperature. Alternatively, it has also been recently proposed that such replica bands might instead originate from extrinsic final state losses ass…
The pairing mechanism in iron-based superconductors is believed to be unconventional, i.e. not phonon-mediated. The achieved transition temperatures Tc in these superconductors are still significantly below those of some of the cuprates, with the exception of single layer FeSe films on SrTiO3 showing a Tc between 60 and 100 K, i.e. an order of magnitude larger than in bulk FeSe. This enormous increase of Tc demonstrates the potential of interface engineering for superconductivity, yet the underlying mechanism of Cooper pairing is not understood. Both conventional and unconventional mechanisms …
The dream of room temperature superconductors has inspired intense research effort to find routes for enhancing the superconducting transition temperature (Tc). Therefore, single-layer FeSe on a SrTiO3 substrate, with its extraordinarily high Tc amongst all interfacial superconductors and iron based superconductors, is particularly interesting, but the mechanism underlying its high Tc has remained mysterious. Here we show through isotope effects that electrons in FeSe couple with the oxygen phonons in the substrate, and the superconductivity is enhanced linearly with the coupling strength atop…
Observation of replica bands in the ARPES spectra of the single-layer FeSe on strontium titanate substrate revealed a phonon component among mechanisms behind high Tc superconductivity there. We study the interaction of the in-layer FeSe electrons with the electric potential of the longitudinal (LO) modes at surface of bulk SrTiO3. A two-dimensional system of charges at the FeSe/SrTiO3 interface includes both the itinerant and immobile electrons. The latter significantly change the interface characteristics, increasing screening at the substrate surface and reducing thereby the strength of the…
Polarized Raman-scattering spectra of superconducting, single-crystalline FeSe evidence pronounced phonon anomalies with temperature reduction. A large 6.5% hardening of the B_1g(Fe) phonon mode is attributed to the suppression of local fluctuations of the iron spin state with the gradual decrease of the iron paramagnetic moment. The ab-initio lattice dynamic calculations support this conclusion. The enhancement of the low-frequency spectral weight above the structural phase transition temperature T_s and its change below T_s is discussed in relation with the opening of an energy gap between l…
The electronic structures, lattice dynamics, and magnetic properties of crystal β-FeSe under hydrostatic pressure have been studied by using the first-principles electronic structure calculations with van der Waals (vdW) corrections. With applied pressures, the energy bands around the Fermi energy level consisting mainly of Fe-3d orbitals show obvious energy shifts and occupation variations, and meanwhile the frequencies of all optical phonon modes increase. Among these phonon modes, the A1g mode, which relates to the Se height from the Fe-Fe plane, shows a clear frequency jump in the range be…
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 …
The effects of electron doping and phonon vibrations on the magnetic properties of monolayer and bilayer FeSe epitaxial films on SrTiO$_3$ have been studied, respectively, using first-principles calculations with van der Waals correction. For monolayer FeSe epitaxial film, the combined effect of electron doping and phonon vibrations readily leads to magnetic frustration between the collinear antiferromagnetic state and the checkerboard antiferromagnetic Néel state. For bilayer FeSe epitaxial film, such magnetic frustration is much more easily induced by electron doping in its bottom layer than…
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…
Distinctive superconducting behaviors between bulk and monolayer FeSe make it challenging to obtain a unified picture of all FeSe-based superconductors. We investigate the ultrafast quasiparticle (QP) dynamics of an intercalated superconductor (Li1-xFex)OHFe1-ySe, which is a bulk crystal but shares a similar electronic structure with single-layer FeSe on SrTiO3. We obtain the electron-phonon coupling (EPC) constant λA1g (0.22 +/- 0.04), which well bridges that of bulk FeSe crystal and single-layer FeSe on SrTiO3. Moreover, we find that such a positive correlation between λA1g and superconducti…
Critical Role of Hydrogen in Unconventional Superconductors: The Case of Hydrogenated FeSe Layers
Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所 和 北京凝聚态物理国家研究中心）；School of Physical Sciences, University of Chinese Academy of Sciences（中国科学院大学 物理科学学院）；Songshan Lake Materials Laboratory（松山湖材料实验室）
We report the first-principles study of superconducting critical temperature and superconducting properties of Fe-based superconductors taking into account on the same footing phonon, charge and spin-fluctuation mediated Cooper pairing. We show that in FeSe this leads to a modulated s$\pm$ gap symmetry, and that the antiferromagnetic paramagnons are the leading mechanism for superconductivity in FeSe, overcoming the strong repulsive effect of both phonons and charge pairing.
In a recent experiment the superconducting gap of a single unit cell thick FeSe film on SrTiO$_3$ substrate is observed by scanning tunneling spectroscopy and angle-resolved photoemission spectroscopy. The value of the superconducting gap is much larger than that of the bulk FeSe under ambient pressure. In this paper we study the effects of screening due to the ferroelectric phonons on Cooper pairing. We conclude it can significantly enhance the energy scale of Cooper pairing and even change the pairing symmetry. Our results also raise some concerns on whether phonons can be completely ignored…
We report high temperature superconductivity in one unit-cell (1-UC) FeSe films grown on STO(110) substrate by molecular beam epitaxy. By in-situ scanning tunneling spectroscopy measurement, we observed a superconducting gap as large as 17 meV. Transport measurements on 1-UC FeSe/STO(110) capped with FeTe layers reveal superconductivity with an onset TC of 31.6 K and an upper critical magnetic field of 30.2 T. We also find that the TC can be further increased by an external electric field, but the effect is smaller than that on STO(001) substrate. The study points out the important roles of in…
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, …
Fluctuation-enhanced electron-phonon coupling in FeSe
Center for Solid State Physics and New Materials, Institute of Physics Belgrade, University of Belgrade（贝尔格莱德大学物理研究所固态物理与新材料中心）；Department of Applied Physics and Applied Mathematics, Columbia University（哥伦比亚大学应用物理与应用数学系）；COMMIT, Department of Physics, University of Antwerp（安特卫普大学物理系COMMIT）；Stavropoulos Center for Complex Quantum Matter, Department of Physics and Astronomy, University of Notre Dame（圣母大学物理与天文学系斯塔夫罗普洛斯复杂量子物质中心）
We study the temperature evolution of the quasiparticle bands of the FeSe monolayer on the SrTiO$_3$ (STO) substrate from 10 to 300 K by applying the anisotropic, multiband and full-bandwidth Eliashberg theory. To achieve this, we extend this theory by self-consistently coupling the chemical potential to the full set of Eliashberg equations. In this way, the electron filling can accurately be kept at a constant level at any temperature. Solving the coupled equations self-consistently, and with focus on the interfacial electron-phonon coupling, we compute a nearly constant Fermi surface with re…
Monolayer FeSe films grown on SrTiO3 (STO) substrate show superconducting gap-opening temperatures (Tc) which are almost an order of magnitude higher than those of the bulk FeSe and are highest among all known Fe-based superconductors. Angle-resolved photoemission spectroscopy (ARPES) observed "replica bands" suggesting the importance of the interaction between FeSe electrons and STO phonons. These facts rejuvenated the quest for Tc enhancement mechanisms in iron-based, especially iron-chalcogenide, superconductors. Here, we perform the first numerically-exact sign-problem-free quantum Monte C…
Theory of superconductivity generated in one atomic layer thick two dimensional electron gas by a single flat band of high energy longitudinal optical phonons is considered. The polar dielectric $SrTiO_{3}$ (STO) exhibits such an energetic phonon mode and the 2DEG is created both when one unit cell $FeSe$ layer is grown on its $\left( 100\right) $ surface and on the interface with another dielectric like $LaAlO_{3}$ (LAO). We obtain a quantitative description of both systems solving the gap equation for $T_{c}$ without making use of approximations like the Kirzhnits Ansatz for arbitrary chemic…
The FeSe-based superconductors exhibit a wide range of critical temperature Tc under a variety of material and physical conditions, but extensive studies to date have yet to produce a consensus view on the underlying mechanism. Here we report on a systematic Raman scattering work on intercalated FeSe superconductors Lix(NH3)yFe2Se2 and (Li,Fe)OHFeSe compared to pristine FeSe. All three crystals show an anomalous power-law temperature dependence of phonon linewidths, deviating from the standard anharmonic behavior. This intriguing phenomenon is attributed to electron-phonon coupling effects enh…
We investigate superconductivity in a two-band system with an electron- and hole-like band, where one of the bands is away from the Fermi level (or incipient). We argue that the incipient band contributes significantly to spin-fluctuation pairing in the strong coupling limit where the system is close to a magnetic instability, and can lead to a large Tc. In this case, Tc is limited by a competition between the frequency range of the coupling (set by an isolated paramagnon) and the coupling strength itself, such that a dome-like Tc dependence on the incipient band position is obtained. The coup…
We study the consequences of an electron-phonon ($e$-$ph$) interaction that is strongly peaked in the forward scattering ($\mathbf{q} = 0$) direction in a two-dimensional superconductor using Migdal-Eliashberg theory. We find that strong forward scattering results in an enhanced $T_c$ that is linearly proportional to the strength of the dimensionless $e$-$ph$ coupling constant $λ_m$ in the weak coupling limit. This interaction also produces distinct replica bands in the single-particle spectral function, similar to those observed in recent angle-resolved photoemission experiments on FeSe monol…
Single unit cell films of iron selenide (1UC FeSe) grown on SrTiO3 (STO) substrates have recently shown superconducting energy gaps opening at temperatures close to the boiling point of liquid nitrogen (77 K), a record for iron-based superconductors. Towards understanding why Cooper pairs form at such high temperatures, a primary question to address is the role, if any, of the STO substrate. Here, we report high resolution angle resolved photoemission spectroscopy (ARPES) results which reveal an unexpected and unique characteristic of the 1UC FeSe/STO system: shake-off bands suggesting the pre…
We present a theoretical ab-initio approach that allows us to explicitly calculate the superconducting transition temperatures (Tc) of the iron-based superconductors of LaFeAsO1-xFx, SmFeAsO1-xFx, NdFeAsO1-xFx, Ba1-xKxFe2As2, FeSe and LiFeAs that fit perfectly with the experiments. We consider recent evidence that electron-phonon coupling may have been underestimated previously, and a prediction that antiferromagnetism can greatly enhance electron-phonon coupling through localized iron d orbitals. We then include the contribution of these localized orbitals in a McMillan formalism. In addition…
