Recent experiments have tuned the monolayer 1T'-WTe2 to be superconducting by electrostatic gating. Here, we theoretically study the phonon-mediated superconductivity in monolayer 1T'-WTe2 via charge doping. We reveal that the emergence of soft-mode phonons with specific momentum is crucial to give rise to the superconductivity in electron-doping regime, whereas no such soft-mode phonons and no superconductivity emerge in hole-doping regime. We also find a superconducting dome, which can be attributed to the change of Fermi surface nesting condition as electron doping. By taking into account the experimentally established strong anisotropy of temperature-dependent upper critical field H_{c2} between the in-plane and out-of-plane directions, we show that the superconducting state probably has the unconventional equal-spin-triplet pairing in A_{u} channel of C_{2h} point group. Our studies provide a promising understanding to the doping dependent superconductivity and strong anisotropy of H_{c2} in monolayer 1T'-WTe2.
Unconventional superconductivity is commonly linked to electronic pairing mechanisms, since it is believed that the conventional electron-phonon interaction (EPI) cannot cause sign-changing superconducting gap symmetries. Here, we show that this common understanding needs to be revised when one considers a more elaborate theory of electron-phonon superconductivity beyond standard approximations. We selfconsistently solve the full-bandwidth, anisotropic Eliashberg equations including vertex corrections beyond Migdal's approximation assuming the usual isotropic EPI for cuprate, Fe-based and heav…
We present a novel method for embedding spin and charge fluctuations in an anisotropic, multi-band and full-bandwidth Eliashberg treatment of superconductivity. Our analytical framework, based on the random phase approximation, allows for a selfconsistent calculation of material specific characteristics in the interacting, and more specifically, the superconducting state. We apply this approach to bulk FeSe as representative for the iron-based superconductors and successfully solve for the superconducting transition temperature $T_c$, the gap symmetry and the gap magnitude. We obtain $T_c \app…
Insight into why superconductivity in pristine and doped monolayer graphene seems strongly suppressed has been central for the recent years' various creative approaches to realize superconductivity in graphene and graphene-like systems. We provide further insight by studying electron-phonon coupling and superconductivity in doped monolayer graphene and hexagonal boron nitride based on intrinsic phonon modes. Solving the graphene gap equation using a detailed model for the effective attraction based on electron tight binding and phonon force constant models, the various system parameters can be…
We propose a mechanism whereby disorder can enhance the transition temperature Tc of an unconventional superconductor with pairing driven by exchange of spin fluctuations. The theory is based on a self-consistent real space treatment of pairing in the disordered one-band Hubbard model. It has been demonstrated before that impurities can enhance pairing by softening the spin fluctuations locally; here, we consider the competing effect of pair-breaking by the screened Coulomb potential also present. We show that, depending on the impurity potential strength and proximity to magnetic order, this …
We report self-consistent calculations of the gap symmetry for the iron-based high-temperature superconductors using realistic small-q phonon mediated pairing potentials and four-band energy dispersions. When both electron and hole Fermi surface pockets are present, we obtain the nodeless $s_\pm$ state that was first encountered in a spin-fluctuations mechanism picture. Nodal gap structures such as $d_{x^2-y^2}$ and $s_\pm+d_{x^2-y^2}$ and even a p-wave triplet state, are accessible upon doping within our phononic mechanism. Our results resolve the conflict between phase sensitive experiments …
Degenerate monolayer Ising superconductors via chiral-achiral molecule intercalation
CIC nanoGUNE（纳米技术联合研究中心）；Departamento de Polímeros y Materiales Avanzados: Física, Química y Tecnología, Facultad de Químicas (EHU)（巴斯克大学化学学院先进聚合物与材料系）；Universidad del País Vasco (EHU)（巴斯克大学）；Instituto de Nanociencia y Materiales de Aragón (INMA) CSIC-Universidad de Zaragoza（阿拉贡纳米科学与材料研究所）；Laboratorio de Microscopías Avanzadas (LMA), Universidad de Zaragoza（萨拉戈萨大学先进显微镜实验室）；Donostia International Physics Center (DIPC)（圣塞巴斯蒂安国际物理中心）；Ikerbasque, Basque Foundation for Science（伊克尔巴斯基奎基金会）
Employing the density-functional theory with local density approximation, we show that the fully hydrogenated monolayer-hexagonal boron nitride (H$_2$BN) has a direct-band gap of 2.96 eV in the blue-light region while the pristine $\textit{h}$-BN has a wider indirect-band gap of 4.78 eV. The hole-doped H$_2$BN is stable at low carrier density ($n$) but becomes dynamically unstable at higher $n$. We predict that it is a phonon-mediated superconductor with a transition temperature ($T_c$) which can reach $\sim$31 K at $n$ of $1.5\times$ $10^{14}$ holes cm$^{-2}$ near the lattice instability. The…
We study the possibility of topological superconductivity in the noncentrosymmetric monolayer and trilayer TaS$_2$ with out-of-plane mirror symmetry. A gapless time-reversal invariant f+s-wave pairing state with even mirror parity is found to be a promising candidate. This mixing state holds 12(36) nodes at the Fermi pockets around $Γ$ for monolayer(trilayer) case and its unconventional superconductivity is consistent with the STM experiments observed in 2$H$-TaS$_2$ thin flakes. Furthermore, with doping or under uniaxial pressure for trilayer 2$H$-TaS$_2$, large-Chern-number time-reversal sym…
The ab initio anisotropic Migdal-Eliashberg formalism has been used to examine the pairing mechanism and the nature of the superconducting gap in the recently discovered lithium-decorated monolayer graphene superconductor. Our results provide evidence that the superconducting transition in Li-decorated monolayer graphene can be explained within a standard phonon-mediated mechanism. We predict a single anisotropic superconducting gap and a critical temperature Tc = 5.1-7.6 K, in very good agreement with the experimental results.
A monolayer of jacutingaite (Pt$_2$HgSe$_3$) has recently been identified as a novel quantum spin Hall insulator. By first-principles calculations, we study its Fermiology in the doped regime and unveil a type-I and type-II van Hove singularity for hole and electron doping, respectively. We find that the common link between the propensity for a topological band gap at pristine filling and unconventional superconductivity at finite doping roots in the longer ranged hybridization integrals on the honeycomb lattice. In a combined effort of random phase approximation and functional renormalization…
Epitaxial engineering of solid-state heterointerfaces is a leading avenue to realizing enhanced or novel electronic states of matter. As a recent example, bulk FeSe is an unconventional superconductor with a modest transition temperature ($T_c$) of 9 K. When a single atomic layer of FeSe is grown on SrTiO$_3$, however, its $T_c$ can skyrocket by an order of magnitude to 65 K or 109 K. Since this discovery in 2012, efforts to reproduce, understand, and extend these findings continue to draw both excitement and scrutiny. In this review, we first present a critical survey of experimental measurem…
We describe a quantum simulator for the Hubbard--Holstein model (HHM), comprising two dressed Rydberg atom species held in a monolayer by independent painted potentials, predicting that boson-mediated preformed pairing, and Berezinskii--Kosterlitz--Thouless (BKT) transition temperatures are experimentally accessible. The HHM is important for modeling the essential physics of unconventional superconductors. Experimentally realizable quantum simulators for HHMs are needed: (1) since HHMs are difficult to solve numerically and analytically, (2) to explore how competition between electron-phonon i…
There are several FeSe based superconductors, including the bulk FeSe, monolayer FeSe thin film, intercalated KxFe2-ySe2 and Li1-xFexOHFeSe, etc. Their normal states all show metallic behavior. The key player here is the FeSe layer which exhibits the highest superconducting transition temperature in the form of monolayer thin film. Recently a new FeSe based compound, CsFe4-xSe4 with the space group of Bmmm was found. Interestingly the system shows a strong insulator-like behavior although it shares the same FeSe planes as other relatives. Density functional theory calculations indicate that it…
A new two-dimensional material { Mg2B4C2, belonging to the family of the conventional superconductor MgB2, is theoretically predicted to exhibit superconductivity with critical temperature Tc estimated in the 47-48 K range (predicted using the McMillian-Allen-Dynes formula) without any tuning of external parameters such as doping, strain, or substrate-induced effects. The origin of such a high intrinsic Tc is ascribed to the presence of strong electron-phonon coupling and topological Dirac states (which are absent in MgB2) yielding a large density of states at the Fermi level. This material al…
Breaking down the traditional perception on phonons which are achiral, the recent discovery of chiral phonon carrying angular momentum provides possible ways to couple electron, photon, spin, magnon and exciton, etc. We theoretically proposed an electron-chiral phonon interaction with two-phonon process, in contrast to conventional electron-phonon interaction, and a kind of effective Hubbard U through exchanging two chiral phonons is proposed. Taking two-dimensional diatomic honeycomb lattice as an example, we found this repulsive Hubbard U mediated by chiral phonons induces unconventional and…
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 …
Monolayer transition metal dichalcogenides (TMDs) host deeply bound excitons interacting with itinerant electrons, and as such they represent an exciting new quantum many-body Bose-Fermi mixture. Here, we demonstrate that electrons interacting with a Bose-Einstein condensate (BEC) of exciton-polaritons can realise a two-dimensional topological $p_x+ip_y$ superconductor. Using strong coupling Eliashberg theory, we show that this is caused by an attractive interaction mediated by the BEC, which overcompensates the repulsive Coulomb interaction between the electrons. The hybrid light-matter natur…
The Fe-based superconductor Fe (Se,Te) combines non-trivial topology with unconventional superconductivity and may be an ideal platform to realize exotic states such as high-order topological corner modes and Majorana modes. Thin films of Fe (Se,Te) are important for device fabrication, phase sensitive transport measurements and for realizing proposals to engineer higher-order modes. However, while bulk Fe (Se,Te) has been extensively studied with a variety of techniques, the nature of the superconducting order parameter in the monolayer limit has not yet been explored. In this work, we study …
Monolayer NbSe$_2$ is a nodal topological Ising superconductor at magnetic in-plane fields exceeding the Pauli limit, with nodal points strictly on high symmetry lines in the Brillouin zone. Here, we use a combined numerical and group-theoretical approach in real-space to characterize the unconventional superconducting state in monolayer transition metal dichalcogenides. Even with a conventional pairing interaction, the superconducting state is intrinsically parity-mixed and robust against on-site disorder. The interplay between the Zeeman magnetic field, strong spin-orbit interaction, and ele…
Transition metal dichalcogenides like 2H-NbSe2 in their two-dimensional (2D) form exhibit Ising superconductivity with the quasiparticle spins are firmly pinned in the direction perpendicular to the basal plane. This enables them to withstand exceptionally high magnetic fields beyond the Pauli limit for superconductivity. Using field-angle-resolved magnetoresistance experiments for fields rotated in the basal plane we investigate the field-angle dependence of the upper critical field (Hc2), which directly reflects the symmetry of the superconducting order parameter. We observe a six-fold nodal…
I present the results of first principles calculations of the electronic structure and magnetic interactions for the recently discovered superconductor YFe$_2$Ge$_2$ and use them to identify the nature of superconductivity and quantum criticality in this compound. I find that the Fe $3d$ derived states near the Fermi level show a rich structure with the presence of both linearly dispersive and heavy bands. The Fermi surface exhibits nesting between hole and electron sheets that manifests as a peak in the susceptibility at $(1/2,1/2)$. I propose that the superconductivity in this compound is me…
Correlated ad-atom systems on the Si(111) surface have recently attracted an increased attention as strongly correlated systems with a rich phase diagram. We study these materials by a single band model on the triangular lattice including 1/r long-range interaction. Employing the recently proposed TRILEX method we find an unconventional superconducting phase of chiral d-wave symmetry in hole-doped systems. The superconductivity is driven simultaneously by both charge and spin fluctuations and is strongly enhanced by the long-range tail of the interaction. We provide an analysis of the relevant…
The uniquely characteristic macrostructures of binary hydrogen-clathrate compounds $M$H$_\textrm{n}$ formed at high pressure, a cage of hydrogens surrounding a central-atom host, is theoretically predicted in various studies to include structurally stable phonon-mediated superconductors. High superconductive transition temperatures $T$$_\textrm{C}$ have thus far been measured for syntheses with $M$ = La, Y, and Th. In compressed LaH$_\textrm{10}$, independent studies report $T$$_\textrm{C}$ of 250 K and over 260 K, a maximum in $T$$_\textrm{C}$ with pressure $P$, and normal-state resistance sc…
The pairing mechanism in different classes of correlated materials, including iron based superconductors, is still under debate. For FeSe monolayers, uniform nematic fluctuations have been shown in a lattice Monte Carlo study to play a potentially important role. Here, using dynamical mean field theory calculations for the same model system, we obtain a similar phase diagram and provide an alternative interpretation of the superconductivity in terms of local orbital fluctuations and phase rigidity. Our study clarifies the relation between the superconducting order parameter, superfluid stiffne…
Recently it was reported experimentally that the monolayer graphene can be doped to beyond the Van Hove singularity. We study theoretically the possible superconductivity and the corresponding spin excitations of the monolayer graphene in this doping region. A static spin-density-wave state is favorable due to the nested Fermi surface as the Fermi level is doped to the Van Hove singularity point. Superconductivity may be realized upon further doping. The spin excitations in the superconducting state are studied theoretically based on the random phase approximation. The overall features are qua…
The weak interlayer Van Der Waals material \{beta}-Bi2Pd has recently been established as a strong topological superconductor candidate with unconventional spin-triplet pairing and Majorana zero modes at vortices. In this letter, we study the topological characters and the superconducting pairing, which are still obscure in monolayer \{beta}-Bi2Pd, in light of our effective theoretical model. We find that the non-Rashba spin-orbital coupling plays a critical role in realizing and tuning various novel topological natures. In particular, the spin-triplet p-wave superconducting pairing with Major…
We study electron correlation driven superconductivity on a decorated honeycomb lattice (DHL), which has a low-energy flat band. On doping, we find singlet superconductivity with extended-s, extended-d and f-wave symmetry mediated by magnetic exchange. f-wave singlet pairing is enabled by the lattice decoration. The critical temperature is predicted to be significantly higher than on similar lattices lacking flat bands. We discuss how high-temperature superconductivity could be realized in the DHL materials such as Rb3TT. 2 H2O and Mo3S7(dmit)3.
We report on a pressure-induced evolution of exotic superconductivity and spin correlations in CeIr(In$_{1-x}$Cd$_{x}$)$_5$ by means of In-Nuclear-Quadrupole-Resonance (NQR) studies. Measurements of an NQR spectrum and nuclear-spin-lattice-relaxation rate $1/T_1$ have revealed that antiferromagnetism induced by the Cd-doping emerges locally around Cd dopants, but superconductivity is suddenly induced at $T_c$ = 0.7 and 0.9 K at 2.34 and 2.75 GPa, respectively. The unique superconducting characteristics with a large fraction of the residual density of state at the Fermi level that increases wit…
We present our investigations on the superconducting properties of monolayers of FeSe$_{0.5}$Te$_{0.5}$ grown on the 3D topological insulator Bi$_{2}$Se$_{1.2}$Te$_{1.8}$ using low temperature scanning tunneling spectroscopy (STS). While the morphology and the overall transition temperature resemble those of similarly doped bulk crystals, the spatially resolved spectroscopic data at 1.1K shows a much larger spatial inhomogeneity in the superconducting energy gaps. Despite the gap inhomogeneity all the spectra can be fitted with a two-fold anisotropic s-wave gap function. The two-fold nature of…
The structures, the phase diagrams, and the appearance of a neutron resonance signaling an unconventional superconducting state provide phenomenological evidence relating the cuprates, the Fe-pnictides/chalcogenides as well as some heavy fermion and actinide materials. Single- and multi-band Hubbard models have been found to describe a number of the observed properties of these materials so that it is reasonable to examine the origin of the pairing interaction in these models. In this review, based on the experimental phenomenology and studies of the pairing interaction for Hubbard-like models…
We have investigated the Se isotope effect in layered bismuth chalcogenide (BiCh2-based) superconductor LaO0.6F0.4Bi(S,Se)2 with 76Se and 80Se. For all examined samples, the Se concentration, which is linked to the superconducting properties, is successfully controlled within x = 1.09-1.14 in LaO0.6F0.4BiS2-xSex. From the magnetization and electrical resistivity measurements, changes in Tc are not observed for the LaO0.6F0.4Bi(S,Se)2 samples with 76Se and 80Se isotopes. Our results suggest that pairing in the BiCh2-based superconductors is not mediated by phonons, and unconventional supercondu…
We report on a novel mechanism of BCS-like superconductivity, mediated by a pair of Bogoliubov quasiparticles (bogolons). It takes place in hybrid systems consisting of a two-dimensional electron gas in a transition metal dichalcogenide monolayer in the vicinity of a Bose-Einstein condensate. Taking a system of two-dimensional indirect excitons as a testing ground we show, that the bogolon-pair-mediated electron pairing mechanism is stronger than phonon-mediated and single bogolon-mediated ones. We develop a microscopic theory of bogolon-pair-mediated superconductivity, based on the Schrieffer…
