We provide evidence that spin ferroquadrupolar (FQ) order is the likely ground state in the nonmagnetic nematic phase of stoichiometric FeSe. By studying the variational mean-field phase diagram of a bilinear-biquadratic Heisenberg model up to the 2nd nearest neighbor, we find the FQ phase in close proximity to the columnar antiferromagnet commonly realized in iron-based superconductors; the stability of FQ phase is further verified by the density matrix renormalization group. The dynamical spin structure factor in the FQ state is calculated with flavor-wave theory, which yields a qualitatively consistent result with inelastic neutron scattering experiments on FeSe at both low and high energies. We verify that FQ can coexist with $C_4$ breaking environments in the mean-field calculation, and further discuss the possibility that quantum fluctuations in FQ act as a source of nematicity.
TmVO$_4$ exhibits ferroquadrupolar order below 2.15 K with a well-isolated non-Kramers ground state doublet, and is a model system to understand Ising nematic order. We present $^{51}$V nuclear magnetic resonance data as a function of field orientation in a single crystal. Although the spectra are well understood in terms of direct dipolar hyperfine couplings, the spin lattice relaxation rate exhibits strong anisotropy that cannot be understood in terms of magnetic fluctuations. We find that the spin lattice relaxation rate scales with the shear elastic constant associated with the ferroquadru…
We study numerically the thermodynamic properties of the spin nematic phases in a magnetic field in the spin-1 bilinear-biquadratic model. When the field is applied, the phase transition temperature once goes up and then decreases rapidly toward zero, which is detected by the peak-shift in the specific heat. The underlying mechanism of the reentrant behavior is the entropic effect. In a weak field the high temperature paramagnetic phase rapidly loses its entropy while the ferroquadrupolar nematic phase remains robust by modifying the shape of the ferroquadrupolar moment. This feature serves as…
We report results of low-temperature heat capacity, magnetocaloric effect and neutron diffraction measurements of TmVO$_{4}$, an insulator that undergoes a continuous ferroquadrupolar phase transition associated with local partially-filled $4f$ orbitals of the thulium (Tm$^{3+}$) ions. The ferroquadrupolar transition, a realization of Ising nematicity, can be tuned to a quantum critical point using a magnetic field oriented along the $c$-axis of the tetragonal crystal lattice, which acts as an effective transverse field for the Ising-nematic order. In small magnetic fields, the thermal phase t…
The origin of spontaneous electronic nematic ordering provides important information for understanding iron-based superconductors. Here, we analyze a scenario where the $d_{xy}$ orbital strongly contributes to nematic ordering in FeSe. We show that the addition of $d_{xy}$ nematicity to a pure $d_{xz}/d_{yz}$ order provides a natural explanation for the unusual Fermi surface and correctly reproduces the strongly anisotropic momentum dependence of the superconducting gap. We predict a Lifshitz transition of an electron pocket mediated by temperature and sulphur doping, whose signatures we discu…
We analyze theoretically the magnetic anisotropy in the nematic phase of FeSe by computing the spin and the orbital susceptibilities from the microscopic multiorbital model. In particular, we take into account both the $xz/yz$ and the recently proposed non-local $xy$ nematic ordering and show that the latter one could play a crucial role in reproducing the experimentally-measured temperature dependence of the magnetic anisotropy. This provides a direct fingerprint of the different nematic scenarios on the magnetic properties of FeSe.
The NMR spectrum of FeSe shows a dramatic broadening on cooling towards the bulk nematic phase at $T_s=90$ K, due to the formation of a quasi-static, short-range-ordered nematic domain structure. However, a quantitative understanding of the NMR broadening and its relationship to the nematic susceptibility is still lacking. Here, we show that the temperature and pressure dependence of the broadening is in quantitative agreement with the mean-field Edwards-Anderson parameter of an Ising-nematic model in the presence of random-field disorder introduced by non-magnetic impurities. Furthermore, the…
Electronic nematicity in correlated metals often occurs alongside another instability such as magnetism. As a result, the question remains whether nematicity alone can drive unconventional superconductivity or anomalous (quantum critical) transport in such systems. In FeSe, nematicity emerges in isolation, providing a unique opportunity to address this question. Studies to date, however, have proved inconclusive; while signatures of nematic criticality are observed upon sulfur substitution, they appear to be quenched under the application of pressure due to the emergent magnetism. Here, we stu…
The exotic normal state of iron chalcogenide superconductor FeSe, which exhibits vanishing magnetic order and possesses an electronic nematic order, triggered extensive explorations of its magnetic ground state. To understand its novel properties, we study the ground state of a highly frustrated spin-$1$ system with bilinear-biquadratic interactions using unbiased large-scale density matrix renormalization group. Remarkably, with increasing biquadratic interactions, we find a paramagnetic phase between Néel and stripe magnetic ordered phases. We identify this phase as a candidate of nematic qu…
The interplay between the nematic order and magnetism in FeSe is not yet well understood. There is a controversy concerning the relationship between orbital and spin degrees of freedom in FeSe and their relevance for superconductivity. Here we investigate the effect of S substitution on the nematic transition temperature ($T_{\rm n}$) and the low-energy spin fluctuations (SF) in FeSe single crystals. We show that the low-energy SF emerge below the nematic transition. The difference between the onset temperature for the critical SF ($T_{\rm SF}$) and $T_{\rm n}$ is small for FeSe but significan…
Motivated by the recent low-tempearture experiments on bulk FeSe, we study the electron correlation effects in a multiorbital model for this compound in the nematic phase using the U(1) slave-spin theory. We find that a finite nematic order helps to stabilize an orbital selective Mott phase. Moreover, we propose that when the d- and s-wave bond nematic orders are combined with the ferro-orbital order, there exists a surprisingly large orbital selectivity between the xz and yz orbitals even though the associated band splitting is relatively small. Our results explain the seemingly unusual obser…
We present $^{77}$Se-NMR measurements on single-crystalline FeSe under pressures up to 2 GPa. Based on the observation of the splitting and broadening of the NMR spectrum due to structural twin domains, we discovered that static, local nematic ordering exists well above the bulk nematic ordering temperature, $T_{\rm s}$. The static, local nematic order and the low-energy stripe-type antiferromagnetic spin fluctuations, as revealed by NMR spin-lattice relaxation rate measurements, are both insensitive to pressure application. These NMR results provide clear evidence for the microscopic cooperat…
FeSe is a unique member of the family of iron-based superconductors, not only because of the high values of $T_{c}$ in FeSe monolayer, but also because in bulk FeSe superconductivity emerges inside a nematic phase without competing with long-range magnetic order. Near $T_{c}$, superconducting order necessarily has $s+d$ symmetry, because nematic order couples linearly the $s$-wave and $d$-wave harmonics of the superconducting order parameter. Here we argue that the near-degeneracy between $s$-wave and $d$-wave pairing instabilities in FeSe, combined with the sign-change of the nematic order pa…
The nematic order (nematicity) is considered one of the essential ingredients to understand the mechanism of Fe-based superconductivity. In most Fe-based superconductors (pnictides), nematic order is reasonably close to the antiferromagnetic order. In FeSe, in contrast, a nematic order emerges below the structure phase transition at T_s = 90 K with no magnetic order. The case of FeSe is of paramount importance to a universal picture of Fe-based superconductors. The polarized ultrafast spectroscopy provides a tool to probe simultaneously the electronic structure and the magnetic interactions th…
We investigate the evolution of the Fermi surfaces and electronic interactions across the nematic phase transition in single crystals of FeSe1-xSx using Shubnikov-de Haas oscillations in high magnetic fields up to 45 tesla in the low temperature regime. The unusually small and strongly elongated Fermi surface of FeSe increases monotonically with chemical pressure, x, due to the suppression of the in-plane anisotropy except for the smallest orbit which suffers a Lifshitz-like transition once nematicity disappears. Even outside the nematic phase the Fermi surface continues to increase, in stark …
The spontaneous appearance of nematicity, a state of matter that breaks rotation but not translation symmetry, is one of the most intriguing property of the iron based superconductors (Fe SC), and has relevance for the cuprates as well. Establishing the critical electronic modes behind nematicity remains however a challenge, because their associated susceptibilities are not easily accessible by conventional probes. Here using FeSe as a model system, and symmetry resolved electronic Raman scattering as a probe, we unravel the presence of critical charge nematic fluctuations near the structural …
In contrast to bulk FeSe, which exhibits nematic order and low temperature superconductivity, atomic layers of FeSe reverse the situation, having high temperature superconductivity appearing alongside a suppression of nematic order. To investigate this phenomenon, we study a minimal electronic model of FeSe, with interactions that enhance nematic fluctuations. This model is sign problem free, and is simulated using determinant quantum Monte Carlo (DQMC). We developed a DQMC algorithm with parallel tempering, which proves to be an efficient source of global updates and allows us to access the r…
The mechanism behind the nematicity of FeSe is not known. Through elastoresitivity measurements it has been shown to be an electronic instability. However, so far measurements have extended only to small strains, where the response is linear. Here, we apply large elastic strains to FeSe, and perform two types of measurements. (1) Using applied strain to control twinning, the nematic resistive anisotropy at temperatures below the nematic transition temperature Ts is determined. (2) Resistive anisotropy is measured as nematicity is induced through applied strain at fixed temperature above Ts. In…
Recent resonant inelastic x-ray scattering (RIXS) experiments have detected a significant high-energy spin-excitation anisotropy in the nematic phase of the enigmatic iron-based superconductor FeSe, whose origin remains controversial. We apply an itinerant model previously used to describe the spin-excitation anisotropy as measured by neutron scattering measurements, with magnetic fluctuations included within the RPA approximation. The calculated RIXS cross section exhibits overall agreement with the RIXS data, including the high energy spin-excitation anisotropy.
Superconductivity originates from pairing of electrons. Pairing channel on Fermi surface and pairing glue are thus two pivotal issues for understanding a superconductor. Recently, high-temperature superconductivity over 40 K was found in electron-doped FeSe superconductors including K$_x$Fe$_{2-y}$Se$_2$, Li$_{0.8}$Fe$_{0.2}$OHFeSe, and 1 monolayer FeSe thin film. However, their pairing mechanism remains controversial. Here, we studied the systematic evolution of electronic structure in potassium-coated FeSe single crystal. The doping level is controlled precisely by in situ evaporating potass…
The origin of the 90 K nematic transition in the chalcogenide FeSe, which displays no magnetic order down to T=0, remains a major puzzle for a unifying theory for the iron-based superconductors. We analyze this problem in light of recent experimental data which reveal very small Fermi pockets in this material. We show that the smallness of the Fermi energy leads to a near-degeneracy between magnetic fluctuations and fluctuations in the charge-current density-wave channel. While the two fluctuation modes cooperate to promote the same preemptive Ising-nematic order, they compete for primary orde…
FeSe has a unique ground state in which superconductivity coexists with a nematic order without long-range magnetic ordering at ambient pressure. Here, to study how the pairing interaction evolves with nematicity, we measured the thermal conductivity and specific heat of FeSe$_{1-x}$S$_x$, where the nematicity is suppressed by isoelectronic sulfur substitution. We find that in the whole nematic ($0\leq x \leq 0.17$) and tetragonal ($x=0.20$) regimes, the application of small magnetic field causes a steep increase of both quantities. This indicates the existence of deep minima or line nodes in …
The lifting of $d_{xz}$-$d_{yz}$ orbital degeneracy is often considered a hallmark of the nematic phase of Fe-based superconductors, including FeSe, but its origin is not yet understood. Here we report a high resolution Angle-Resolved Photoemission Spectroscopy study of single crystals of FeSe, accounting for the photon-energy dependence and making a detailed analysis of the temperature dependence. We find that the hole pocket undergoes a fourfold-symmetry-breaking distortion in the nematic phase below 90~K, but in contrast the changes to the electron pockets do not require fourfold symmetry-b…
We report a high-resolution laser-based angle-resolved photoemission spectroscopy (laser-ARPES) study of single crystals of FeSe, focusing on the temperature-dependence of the hole-like bands around the ${\rm Γ}$ point. As the system cools through the tetragonal-orthorhombic "nematic" structural transition at 90~K, the splitting of the $d_{xz}$/$d_{yz}$ bands is observed to increase by a magnitude of 13 meV. Moreover, the onset of a $\sim$10 meV downward shift of the $d_{xy}$ band is also at 90~K. These measurements provide clarity on the nature, magnitude and temperature-dependence of the ban…
To understand the nematicity in Fe-based superconductors, nontrivial $k$-dependence of the orbital polarization ($ΔE_{xz}(k)$, $ΔE_{yz}(k)$) in the nematic phase, such as the sign reversal of the orbital splitting between $Γ$- and X,Y-points in FeSe, provides significant information. To solve this problem, we study the spontaneous symmetry breaking with respect to the orbital polarization and spin susceptibility self-consistently. In FeSe, due to the sign-reversing orbital order, the hole- and electron-pockets are elongated along the $k_y$- and $k_x$-axes respectively, consistently with experi…
Crystalline FeSe is known to display strong nematic order below a weak tetragonal-orthorhombic structural transition around $T_s\sim 90$K, and a superconducting transition at $T_c\sim 9K$. Recently, it was shown that electron irradiation, which creates pointlike potential scattering defects, has the surprising effect of enhancing $T_c$ while suppressing $T_s$. Here we discuss a possible scenario for such an effect, which postulates a competition between $s_\pm$ superconductivity and nematic order. The transition to the nematic state is modeled by a mean field theory of a $d$-wave Pomeranchuk i…
The origin of the high-temperature superconducting state observed in FeSe thin films, whose phase diagram displays no sign of magnetic order, remains a hotly debated topic. Here we investigate whether fluctuations arising due to the proximity to a nematic phase, which is observed in the phase diagram of this material, can promote superconductivity. We find that nematic fluctuations alone promote a highly degenerate pairing state, in which both $s$-wave and $d$-wave symmetries are equally favored, and $T_{c}$ is consequently suppressed. However, the presence of a sizable spin-orbit coupling or …
The iron-based superconductor FeSe has attracted much recent attention because of its simple crystal structure, distinct electronic structure and rich physics exhibited by itself and its derivatives. Determination of its intrinsic electronic structure is crucial to understand its physical properties and superconductivity mechanism. Both theoretical and experimental studies so far have provided a picture that FeSe consists of one hole-like Fermi surface around the Brillouin zone center in its nematic state. Here we report direct observation of two hole-like Fermi surface sheets around the Brill…
FeSe is arguably the simplest, yet the most enigmatic, iron-based superconductor. Its nematic but non-magnetic ground state is unprecedented in this class of materials and stands out as a current puzzle. Here, our NMR measurements in the nematic state of mechanically detwinned FeSe reveal that both the Knight shift and the spin-lattice relaxation rate 1/T_1 possess an in-plane anisotropy opposite to that of the iron pnictides LaFeAsO and BaFe2As2. Using a microscopic electron model that includes spin-orbit coupling, our calculations show that an opposite quasiparticle weight ratio between the …
FeSe undergoes a transition from a tetragonal to a slightly orthorhombic phase at 90\,K, and becomes a superconductor below 8\,K. The orthorhombic phase is sometimes called a nematic phase because quantum oscillation, neutron, and other measurements detect a significant asymmetry in $x$ and $y$. How nematicity affects superconductivity has recently become a matter of intense speculation. Here we employ an advanced \emph{ab-initio} Green's function description of superconductivity and show that bulk tetragonal FeSe would, in principle, superconduct with almost the same T$_{c}$ as the nematic ph…
We report the evolution of the electronic nematic susceptibility in FeSe via Raman scattering as a function of hydrostatic pressure up to 5.8 GPa where the superconducting transition temperature $T_{c}$ reaches its maximum. The critical nematic fluctuations observed at low pressure vanish above 1.6 GPa, indicating they play a marginal role in the four-fold enhancement of $T_{c}$ at higher pressures. The collapse of nematic fluctuations appears to be linked to a suppression of low energy electronic excitations which manifests itself by optical phonon anomalies at around 2 GPa, in agreement with…
To elucidate the origin of nematic order in Fe-based superconductors, we report a Raman scattering study of lattice dynamics, which quantify the extent of $C_4$-symmetry breaking, in BaFe$_2$As$_2$ and FeSe. FeSe possesses a nematic ordering temperature $T_\mathrm{s}$ and orbital-related band-energy split below $T_\mathrm{s}$ that are similar to those in BaFe$_2$As$_2$, but unlike BaFe$_2$As$_2$ it has no long-range magnetic order. We find that the $E_g$ phonon-energy split in FeSe sets in only well below $T_\mathrm{s}$, and its saturated value is substantially smaller than that in BaFe$_2$As$…
FeSe exhibits a novel ground state in which superconductivity coexists with a nematic order in the absence of any long-range magnetic order. Here we report an angle-resolved photoemission study on the superconducting gap structure in the nematic state of FeSe$_{0.93}$S$_{0.07}$, without the complication caused by Fermi surface reconstruction induced by magnetic order. We found that the superconducting gap shows a pronounced 2-fold anisotropy around the elliptical hole pocket near the Z point of the Brillouin zone, with gap minima at the endpoints of its major axis, while no detectable gap was …
The interplay between electronic orders and superconductivity is central to the physics of unconventional superconductors, and is particularly pronounced in the iron-based superconductors. Motivated by recent experiments on FeSe, we study the superconducting pairing in its nematic phase in a multiorbital model with frustrated spin-exchange interactions. The electron correlations in the presence of the nematic order give rise to an enhanced orbital selectivity in the superconducting pairing amplitudes. This orbital-selective pairing produces a large gap anisotropy on the Fermi surface. Our resu…
We offer an explanation for the recently observed pressure-induced magnetic state in the iron-chalcogenide FeSe based on \textit{ab initio} estimates for the pressure evolution of the most important Coulomb interaction parameters. We find that an increase of pressure leads to an overall decrease mostly in the nearest-neighbor Coulomb repulsion, which in turn leads to a reduction of the nematic order and the generation of magnetic stripe order. We treat the concomitant effects of band renormalization and the induced interplay of nematic and magnetic order in a self-consistent way and determine …
Motivated by the properties of the iron chalcogenides, we study the phase diagram of a generalized Heisenberg model with frustrated bilinear-biquadratic interactions on a square lattice. We identify zero-temperature phases with antiferroquadrupolar and Ising-nematic orders. The effects of quantum fluctuations and interlayer couplings are analyzed. We propose the Ising-nematic order as underlying the structural phase transition observed in the normal state of FeSe, and discuss the role of the Goldstone modes of the antiferroquadrupolar order for the dipolar magnetic fluctuations in this system.…
We report the evolution of nematic fluctuations in FeSe$_{1-x}$S$_x$ single crystals as a function of Sulfur content $x$ across the nematic quantum critical point (QCP) $x_c\sim$ 0.17 via Raman scattering. The Raman spectra in the $B_{1g}$ nematic channel consist of two components, but only the low energy one displays clear fingerprints of critical behavior and is attributed to itinerant carriers. Curie-Weiss analysis of the associated nematic susceptibility indicates a substantial effect of nemato-elastic coupling which shifts the location of the nematic QCP. We argue that this lattice-induce…
The origin of the electronic nematicity in FeSe is one of the most important unresolved puzzles in the study of iron-based superconductors. In both spin- and orbital-nematic models, the intrinsic magnetic excitations at $\mathbf{Q}_1=(1, 0)$ and $\mathbf{Q}_2=(0, 1)$ of twin-free FeSe are expected to provide decisive criteria for clarifying this issue. Although a spin-fluctuation anisotropy below 10 meV between $\mathbf{Q}_1$ and $\mathbf{Q}_2$ has been observed by inelastic neutron scattering around $T_c\sim 9$ K ($<<T_s\sim 90$ K), it remains unclear whether such an anisotropy also persists …
The interplay of orbital and spin degrees of freedom is the fundamental characteristic in numerous condensed matter phenomena, including high temperature superconductivity, quantum spin liquids, and topological semimetals. In iron-based superconductors (FeSCs), this causes superconductivity to emerge in the vicinity of two other instabilities: nematic and magnetic. Unveiling the mutual relationship among nematic order, spin fluctuations, and superconductivity has been a major challenge for research in FeSCs, but it is still controversial. Here, by carrying out 77Se nuclear magnetic resonance (…
The sulfur substituted FeSe system, FeSe$_{1-x}$S$_{x}$, provides a versatile platform for studying the relationship between nematicity, antiferromagnetism, and superconductivity. Here, by nuclear magnetic resonance (NMR) and resistivity measurements up to 4.73 GPa on FeSe$_{0.91}$S$_{0.09}$, we established the pressure($p$)-temperature($T$) phase diagram in which the nematic state is suppressed with pressure showing a nematic quantum phase transition (QPT) around $p$ = 0.5 GPa, two SC regions, separated by the QPT, appear and antiferromagnetic (AFM) phase emerges above $\sim$3.3 GPa. From the…
The emergence of high transition temperature ($T_c$) superconductivity in bulk FeSe under pressure is associated with the tuning of nematicity and magnetism. However, sorting out the relative contributions from magnetic and nematic fluctuations to the enhancement of $T_c$ remains challenging. Here, we design and conduct a series of high-pressure experiments on FeSe thin flakes. We find that, as the thickness decreases, the nematic phase boundary on temperature-pressure phase diagrams remains robust while the magnetic order is significantly weakened. A local maximum of $T_c$ is observed outside…
Despite its seemingly simple composition and structure, the pairing mechanism of FeSe remains an open problem due to several striking phenomena. Among them are nematic order without magnetic order, nodeless gap and unusual inelastic neutron spectra with a broad continuum, and gap anisotropy consistent with orbital selection of unknown origin. Here we propose a microscopic description of a nematic quantum spin liquid that reproduces key features of neutron spectra. We then study how the spin fluctuations of the local moments lead to pairing within a spin-fermion model. We find the resulting sup…
When a symmetry-breaking phase of matter is suppressed to a quantum critical point (QCP) at absolute zero, quantum-mechanical fluctuations proliferate. Such fluctuations can lead to unconventional superconductivity, as evidenced by the superconducting domes often found near magnetic QCPs in correlated materials. However, it remains unclear whether this superconductivity mechanism holds for QCPs of the electronic nematic phase, characterized by rotational symmetry breaking. Here, we demonstrate from systematic elastoresistivity measurements that nonmagnetic FeSe$_{1-x}$Te$_{x}$ exhibits an elec…
Nematic state, where the system is translationally invariant but breaks the rotational symmetry, has drawn great attentions recently due to experimental observations of such a state in both cuprates and iron-based superconductors. The mechanism of nematicity that is likely tied to the pairing mechanism of high-Tc, however, still remains controversial. Here, we studied the electronic structure of multilayer FeSe film by angle-resolved photoemission spectroscopy (ARPES). We found that the FeSe film enters the nematic state around 125 K, while the electronic signature of long range magnetic order…
Magnetism induced by external pressure ($p$) was studied in a FeSe crystal sample by means of muon-spin rotation. The magnetic transition changes from second-order to first-order for pressures exceeding the critical value $p_{\rm c}\simeq2.4-2.5$ GPa. The magnetic ordering temperature ($T_{\rm N}$) and the value of the magnetic moment per Fe site ($m_{\rm Fe}$) increase continuously with increasing pressure, reaching $T_{\rm N}\simeq50$~K and $m_{\rm Fe}\simeq0.25$ $μ_{\rm B}$ at $p\simeq2.6$ GPa, respectively. No pronounced features at both $T_{\rm N}(p)$ and $m_{\rm Fe}(p)$ are detected at $…
We report the results of our in-depth analysis of spectroscopic and thermodynamic properties of a multi-orbital metal, like FeSe, which first develops a nematic order and then undergoes a transition into a superconducting state, which co-exists with nematicity. We analyze the angular dependence of the gap function and specific heat $C_V (T)$ of such nematic superconductor. We specifically address three issues: (i) angular dependence of the gap in light of the competition between nematicity-induced $s$-$d$ mixture and orbital transmutation of low-energy excitations in the nematic state, (ii) th…
A very fundamental and unconventional characteristic of superconductivity in iron-based materials is that it occurs in the vicinity of {\it two} other instabilities. Apart from a tendency towards magnetic order, these Fe-based systems have a propensity for nematic ordering: a lowering of the rotational symmetry while time-reversal invariance is preserved. Setting the stage for superconductivity, it is heavily debated whether the nematic symmetry breaking is driven by lattice, orbital or spin degrees of freedom. Here we report a very clear splitting of NMR resonance lines in FeSe at $T_{nem}$ =…
Elucidating the microscopic origin of nematic order in iron-based superconducting materials is important because the interactions that drive nematic order may also mediate the Cooper pairing. Nematic order breaks fourfold rotational symmetry in the iron plane, which is believed to be driven by either orbital or spin degrees of freedom. However, as the nematic phase often develops at a temperature just above or coincides with a stripe magnetic phase transition, experimentally determining the dominant driving force of nematic order is difficult. Here, we use neutron scattering to study structura…
Electronic nematicity is an important order in most iron-based superconductors, and FeSe represents a unique example, in which nematicity disentangles from spin ordering. It is commonly perceived that this property arises from strong electronic correlation, which can not be properly captured by density functional theory (DFT). Here, we show that by properly considering the paramagnetic condition and carefully searching the energy landscape with symmetry-preconditioned wavefunctions, two nematic solutions stand out at either the DFT+$U$ or hybrid functional level, both of which are lower in ene…
Despite having the simplest atomic structure, bulk FeSe has an observed electronic structure with the largest deviation from the band theory predictions among all Fe-based superconductors and exhibits a low temperature nematic electronic state without intervening magnetic order. We show that the Fe-Fe interatomic Coulomb repulsion $V$ offers a natural explanation for the puzzling electron correlation effects in FeSe superconductors. It produces a strongly renormalized low-energy band structure where the van Hove singularity sits remarkably close to Fermi level in the high-temperature electron …
Unveiling the driving force for a phase transition is normally difficult when multiple degrees of freedom are strongly coupled. One example is the nematic phase transition in iron-based superconductors. Its mechanism remains controversial due to a complex intertwining among different degrees of freedom. In this paper, we report a method for measuring the nematic susceptibly of FeSe$_{0.9}$S$_{0.1}$ using angle-resolved photoemission spectroscopy (ARPES) and an $in$-$situ$ strain-tuning device. The nematic susceptibility is characterized as an energy shift of band induced by a tunable uniaxial …
The large anisotropy in the electronic properties across a structural transition in several correlated systems has been identified as the key manifestation of electronic nematic order, breaking rotational symmetry. In this context, FeSe is attracting tremendous interest, since electronic nematicity develops over a wide range of temperatures, allowing accurate experimental investigation. Here we combine angle-resolved photoemission spectroscopy and theoretical calculations based on a realistic multi-orbital model to unveil the microscopic mechanism responsible for the evolution of the electroni…
Nematicity and magnetism are two key features in Fe-based superconductors, and their interplay is one of the most important unsolved problems. In FeSe, the magnetic order is absent below the structural transition temperature $T_{str}=90$K, in stark contrast that the magnetism emerges slightly below $T_{str}$ in other families. To understand such amazing material dependence, we investigate the spin-fluctuation-mediated orbital order ($n_{xz}\neq n_{yz}$) by focusing on the orbital-spin interplay driven by the strong-coupling effect, called the vertex correction. This orbital-spin interplay is v…
Superconductivity in FeSe has recently attracted a great deal of attention because it emerges out of an electronic nematic state of elusive character. Here we study both the electronic normal state and the superconducting gap structure using heat-capacity measurements on high-quality single crystals. The specific-heat curve, from 0.4 K to Tc = 9.1 K, is found to be consistent with a recent gap determination using Bogoliubov quasiparticle interference [P. O. Sprau et al., Science 357, 75 (2017)], however only if nodes are introduced on either the electron or the hole Fermi-surface sheets. Our a…
Non-Fermi liquids are strange metals whose physical properties deviate qualitatively from those of conventional metals due to strong quantum fluctuations. In this paper, we report transport measurements on the FeSe$_{1-x}$S$_x$ superconductor, which has a quantum critical point of a nematic order without accompanying antiferromagnetism. We find that in addition to a linear-in-temperature resistivity $ρ_{xx}\propto T$, which is close to the Planckian limit, the Hall angle varies as $\cot θ_{\rm H} \propto T^2$ and the low-field magnetoresistance is well scaled as $Δρ_{xx}/ρ_{xx}\propto \tan^2 θ…
