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Intrinsic Rashba spin-orbital coupling (SOC) can exist in centrosymmetric materials with local inversion symmetry breaking. Here we show that such a SOC can induce topological superconductivity together with an in-plane Zeeman field in planar Josephson junctions formed by the centrosymmetric materials. A single Majorana mode can be created at each end of the junction. We demonstrate this result in a model based on iron-based superconductors. We derive the necessary Fermi surface condition for the topological planar junction and calculate the topological phase diagram with respect to the in-plane Zeeman field and the phase difference between the two superconductors. We provide experimental characteristics for the topological superconductivity, including the differential conductance and the Fano factor tomography which can be measured in the scanning tunneling spectroscopy. Our study reveals that the centrosymmetric systems with local-inversion-symmetry breaking can serve as new platforms for the topological planar Josephson junctions, and help to find more experimentally feasible materials for the topological superconductors., Comment: 14 pages, 7 figures

We show that there are diversified Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions between magnetic impurities, mediated by itinerant electrons, in a centrosymmetric crystal respecting a nonsymmorphic space group. We take the $P4/nmm$ space group as an example. We demonstrate that the different type of interactions, including the Heisenberg-type, the Dzyaloshinskii-Moriya (DM)-type, the Ising-type and the anisotropic interactions, can appear in accordance with the positions of the impurities in the real space. Their strengths strongly depend on the location of the itinerant electrons in the reciprocal space. The diversity stems from the position-dependent site groups and the momentum-dependent electronic structures guaranteed by the nonsymmorphic symmetries. Our study unveils the role of the nonsymmorphic symmetries in affecting magnetism, and suggests that the nonsymmorphic crystals can be promising platforms to design magnetic interactions., Comment: 11pages, 5 figures

We present a new scheme for Majorana modes in systems with nonsymmporhic-symmetry-protected band degeneracy. We reveal that when the gapless fermionic excitations are encoded with conventional superconductivity and magnetism, which can be intrinsic or induced by proximity effect, topological superconductivity and Majorana modes can be obtained. We illustrate this outcome in a system which respects the space group P4/nmm and features a fourfold-degenerate fermionic mode at (\pi, \pi) in the Brillouin zone. We show that in the presence of conventional superconductivity, different types of topological superconductivity, i.e. first-order and second-order topological superconductivity, with coexisting fragile Wannier obstruction in the latter case, can be generated in accordance with the different types of magnetic orders; Majorana modes are shown to exist on the boundary, at the corner and in the vortices. To further demonstrate the effectiveness of our approach, another example related to the space group P4/ncc based on this scheme is also provided. Our study offers insights into constructing topological superconductors based on bulk energy bands and conventional superconductivity, and helps to find new material candidates and design new platforms for realizing Majorana modes.

Spin-triplet superconductivity is known to be a rare quantum phenomenon. Here we show that nonsymmorphic crystalline symmetries can dramatically assist spin-triplet superconductivity in the presence of spin-orbit coupling. Even with a weak spin-orbit coupling, the spin-triplet pairing can be the leading pairing instability in a lattice with a nonsymmorphic symmetry. The underlining mechanism is the spin-sublattice-momentum lock on electronic bands that are protected by the nonsymmorphic symmetry. We use the nonsymmorphic space group P4/nmm to demonstrate these results and discuss related experimental observables. Our work paves a new way in searching for spin-triplet superconductivity.

Determining the pairing symmetry of single-layer FeSe on SrTiO$_3$ is the key to understanding the enhanced pairing mechanism; furthermore, it guides exploring new superconductors with high transition temperatures ($T_\mathrm{c}$). Despite significant efforts, it remains controversial whether the symmetry is the sign-preserving $s$- or the sign-changed $s_{\pm}$-wave. Here, we investigate the pairing symmetry of single-layer FeSe from a topological point of view. Using low-temperature scanning tunneling microscopy/spectroscopy, we have systematically characterized the superconducting states at isolated edges and corners of single-layer FeSe. The tunneling spectra collected at edges and corners exhibit full gap and substantial dip, respectively, demonstrating the absence of topologically non-trivial edge/corner modes. According to the theoretical calculation, these spectroscopic features are strong evidence for the sign-preserving $s$-wave pairing.

We theoretically study potential unconventional superconductivity in doped AB-type IV-VI semi-conductors, based on a minimal effective model with interaction up to the next-nearest neighbors. According to the experimental implications, we focus on the spin-triplet channels and obtain the superconducting phase diagram with respect to the anisotropy of the Fermi surfaces and the interaction strength. Abundant nodal and nodeless states with different symmetry breaking appear in the phase diagram, and all the states are time reversal invariant and topologically nontrivial. Specifically, the various nodal superconducting ground states, dubbed as the topological Dirac superconductors, are featured by Dirac nodes in the bulk and Majorana arcs on the surface; among the full-gap states, there exist a mirror-symmetry-protected second-order topological superconductor state favoring helical Majorana hinge cones, and different first-order topological superconductor states supporting 4 surface Majorana cones. The experimental verification of the different kinds of superconducting ground states is also discussed., Comment: 31 pages, 7 figures, Accepted version

In the presence of both space and time reversal symmetries, an s-wave A1g superconducting state is usually topologically trivial. Here we demonstrate that an exception can take place in a type of nonsymmorphic lattice structures. We specify the demonstration in a system with a centrosymmetric space group P4/nmm, the symmetry group that governs iron-based superconductors, by showing the existence of a second-order topological state protected by a mirror symmetry. The topological superconductivity is featured by 2Z degenerate Dirac cones on the (1,0) edge, and Z pairs of Majorana modes at the intersection between the (1,1) and (1,-1) edges. The topological invariance and Fermi surface criterion for the topological state are provided. Moreover, we point out that the previously proposed s-wave state in iron-based superconductors, which features a sign-changed superconducting order parameter between two electron pockets, is such a topological state. Thus, these results not only open a new route to pursue topological superconductivity, but also establish a measurable quantity to settle one long-lasting debate on the pairing nature of iron-based superconductors.

We find that the vortex bound states in superconducting topological semimetals are gapless owing to topological massless excitations in their normal states. We demonstrate this universal result in a variety of semimetals including Dirac and Weyl semimetals, threefold degenerate spin-1 fermions, spin-3/2 Rarita-Schwinger-Weyl fermion semimetals and other exotic fermion semimetals. The formation of these gapless bound states are closely related to their Andreev specular reflection and propagating Andreev modes in $\pi$ phase superconductor-normal metal-superconductor (SNS) junctions. We further demonstrate that these gapless states are topologically protected and can be derived from a topological pumping process., Comment: 5 pages, 4 figures

Here we report a pressure-induced reemergence of superconductivity in recently discovered superconductor K2Mo3As3, which is the first experimental case observed in quasi-one-dimensional superconductors. We find that, after full suppression of the ambient-pressure superconducting (SC-I) state at 8.7 GPa, an intermediary non-superconducting state sets in and prevails to the pressure up to 18.2 GPa, however, above this pressure a new superconducting (SC-II) state appears unexpectedly. High pressure x-ray diffraction measurements demonstrate that the pressure-induced dramatic change of the lattice parameter c contributes mainly to the emergence of the SC-II state. Combined with the theioretical calculations on band strcture, our results suggest that the reemergemce of superconductivity is associated with the change of the complicated interplay among different orbital electrons, driven by the pressure-induced unisotropic change of the lattice., Comment: 17 pages and 4 figures

We show that standard impurities, magnetic or nonmagnetic, weak or strong, can cause topological phase transitions inside the vortex cores of a conventional s-wave superconductor. Because of the nonzero angular momentum of Cooper pairs in the vortex cores, the vortex bound states in a two dimensional superconductor are sensitive to impurities in a way similar to the Yu-Shiba-Rusinov bound states induced by magnetic impurities. In three dimensional cases, the vortex bound states can be driven into topologically nontrivial phases by an impurity chain inside the vortex core. The system can host Majorana modes including the Majorana zero modes localized at the end of the vortex line and the propagating Majorana modes along the vortex line. These results suggest that the superconducting vortex can be the simplest platform to realize Majorana modes.

The recently discovered cuprate superconductor Ba$_2$CuO$_{3+\delta}$ exhibits a high $T_c\simeq73$K at $\delta\simeq0.2$. The polycrystal grown under high pressure has a structure similar to La$_2$CuO$_4$, but with dramatically different lattice parameters due to the CuO$_6$ octahedron compression. The crystal field in the compressed Ba$_2$CuO$_4$ leads to an inverted Cu $3d$ $e_g$ complex with the $d_{x^2-y^2}$ orbital sitting below the $d_{3z^2-r^2}$ and an electronic structure highly unusual compared to the conventional cuprates. We construct a two-orbital Hubbard model for the Cu $d^9$ state at hole doping $x=2\delta$ and study the orbital-dependent strong correlation and superconductivity. For the undoped case at $x=0$, we found that strong correlation drives an orbital-polarized Mott insulating state with the spin-$1/2$ moment of the localized $d_{3z^2-r^2}$ orbital. In contrast to the single-band cuprates where superconductivity is suppressed in the overdoped regime, hole doping the two-orbital Mott insulator leads to orbital-dependent correlations and the robust spin and orbital exchange interactions produce a high-$T_c$ antiphase $d$-wave superconductor even in the heavily doped regime at $x=0.4$. We conjecture that Ba$_2$CuO$_{3+\delta}$ realizes mixtures of such heavily hole-doped superconducting Ba$_2$CuO$_4$ and disordered Ba$_2$CuO$_{3}$ chains in a single-layer or predominately separated bilayer structure. Our findings suggest that unconventional cuprates with liberated orbitals as doped two-band Mott insulators can be a direction for realizing high-T$_c$ superconductivity with enhanced transition temperature $T_c$., Comment: 12 pages, 8 figures

Based on a two-orbital honeycomb lattice model and random phase approximation, we investigate the pairing symmetry of the Ni-based transition-metal trichalcogenide. We find that an I-wave (A2g) state and a chiral d-wave state are dominant and nearly degenerate for typical electron and hole dopings. These two states carry nontrivial topological properties, which are manifested by the presence of chiral edge states in the d+id-wave state and dispersionless Andreev bound state at zero energy in the I-wave state. Ni-based transition-metal trichalcogenides provide us a new platform to study the exotic phenomena emerged from electron-electron correlation effects.

We study the vortex bound states in three dimensional (3D) superconducting Dirac semimetals with time reversal symmetry. Assuming two Dirac points on the kz-axis and bulk s-wave superconductivity, with a quantum vortex line parallel to the z-direction, we find that the superconducting vortex line has a robust quasi-1D nodal phase. The nodal phase stems from the symmetry protected Dirac points in the normal state bands, and it can be characterized by a topological index (\nu; n) at kz = 0 and kz = \pi, where \nu is the Z2 topological invariant for a 0D class-D system and n is the Z topological invariant for a 0D class-A system according to the Altland- Zirnbauer classification. Based on the topological index, we find that vortex end Majorana zero mode can coexist with the quasi-1D nodal phase in certain kinds of Dirac semimetals. The influence of the symmetry breaking perturbations on the quasi-1D nodal phase is also analyzed. Finally, we discuss the possible material realization of such nodal vortex line state.

We study topological vortex phases in iron-based superconductors. Besides the previously known vortex end Majorana zero modes (MZMs) phase stemming from the existence of a three dimensional (3D) strong topological insulator state, we show that there is another topologically nontrivial phase as iron-based superconductors can be doped superconducting 3D weak topological insulators (WTIs). The vortex bound states in a superconducting 3D WTI exhibit two different types of quantum states, a robust nodal superconducting phase with pairs of bulk MZMs and a full-gap topologically nontrivial superconducting phase which has single vortex end MZM in a certain range of doping level. Moreover, we predict and summarize various topological phases in iron-based superconductors, and find that carrier doping and interlayer coupling can drive systems to have phase transitions between these different topological phases.

We review topological properties of two series of ternary compounds AMgBi (A=K, RB, Cs) and ABC with a hexagonal ZrBeSi type structure. The first series of materials AMgBi are predicted to be topological critical Dirac semimetals. The second series of ternary compounds, such as KZnP, BaAgAs, NaAuTe and KHgSb, can be used to realize various topological insulating states and semimetal states. The states are highly tunable as the realization of these topological states depends on the competition between several energy scales, including the energy of atomic orbitals, the energy of crystal splitting, the energy difference between bonding and antibonding states, and the strength of spin-orbit coupling. The exotic surface states in these series of compounds are predicted and are closely related to their unique crystal structures.

We show that the time reversal symmetry inevitably breaks in a superconducting Josephson junction formed by two superconductors with different pairing symmetries dubbed as i-Josephson junction. While the leading conventional Josephson coupling vanishes in such an i-Josephson junction, the second order coupling from tunneling always generates chiral superconductivity orders with broken time reversal symmetry. Josephson frequency in the i-junction is doubled, namely $\omega = 4eV /h$. The result provides a way to engineer topological superconductivity such as the d + id' -wave superconducting state characterized by a nonzero Chern number., Comment: 5 pages, 4 figures

Anomalous surface states with Fermi arcs are commonly considered to be a fingerprint of Dirac semimetals (DSMs). In contrast to Weyl semimetals, however, Fermi arcs of DSMs are not topologically protected. Using first-principles calculations, we predict that $\beta$-CuI is a peculiar DSM whose surface states form closed Fermi pockets instead of Fermi arcs. In such a fermiological Dirac semimetal, the deformation mechanism from Fermi arcs to Fermi pockets stems from a large cubic term preserving all crystal symmetries, and the small energy difference between the surface and bulk Dirac points. The cubic term in $\beta$-CuI, usually negligible in prototypical DSMs, becomes relevant because of the particular crystal structure. As such, we establish a concrete material example manifesting the lack of topological protection for surface Fermi arcs in DSMs, Comment: 6 pages, 4 figures

We investigate the electronic and magnetic structures of the 122 (AM$_2$B$_2$) hexagonal transition-metal pnictides with A=(Sr, Ca), M=(Cr, Mn, Fe, Co, Ni) and B=(As, P, Sb). It is found that the family of materials share critical similarities with those of tetragonal structures that include the famous iron-based high temperature superconductors. In both families, the next nearest neighbor(NNN) effective antiferromagnetic(AFM) exchange couplings reach the maximum value in the iron-based materials. While the NNN couplings in the latter are known to be responsible for the C-type AFM state and to result in the extended s-wave superconducting state upon doping, they cause the former to be extremely frustrated magnetic systems and can lead to an time reversal symmetry broken $d+id$ superconducting state upon doping. The iron-based compounds with the hexagonal structure, thus if synthesized, can help us to determine the origin of high temperature superconductivity., Comment: 10 pages, 8 figures

We investigate superconductivity that may exist in the doped BaCoSO, a multi-orbital Mott insulator with a strong antiferromagnetic ground state. The superconductivity is studied in both t-J type and Hubbard type multi-orbital models by mean field approach and random phase approximation (RPA) analysis. Even if there is no C4 rotational symmetry, it is found that the system still carries a d-wave like pairing symmetry state with gapless nodes and sign changed superconducting order parameters on Fermi surfaces. The results are largely doping insensitive. In this superconducting state, the three t2g orbitals have very different superconducting form factors in momentum space. In particular, the intra-orbital pairing of the dx2-y2 orbital has a s-wave like pairing form factor. The two methods also predict very different pairing strength on different parts of Fermi surfaces.These results suggest that BaCoSO and related materials can be a new ground to test and establish fundamental principles for unconventional high temperature superconductivity., Comment: 6 pages, 7 figures

The pairing symmetry of the newly proposed cobalt high temperature (high-$T_c$) superconductors formed by vertex shared cation-anion tetrahedral complexes is studied by the methods of mean field, random phase approximation (RPA) and functional renormalization group (FRG) analysis. The results of all these methods show that the $d_{x^2-y^2}$ pairing symmetry is robustly favored near half filling. The RPA and FRG methods, which are valid in weak interaction regions, predict that the superconducting state is also strongly orbital selective, namely the $d_{x^2-y^2}$ orbital that has the largest density near half filling among the three $t_{2g}$ orbitals dominates superconducting pairing. These results suggest that the new materials, if synthesized, can provide indisputable test to high-$T_c$ pairing mechanism and the validity of different theoretical methods., Comment: 7 pages, 6 figures

We suggest that Cobalt-Oxychalcogenide layers constructed by vertex sharing CoA$_2$O$_2$ (A=S,Se,Te) tetrahedra, such as BaCoAO, are strongly correlated multi-orbital electron systems that can provide important clues on the cause of unconventional superconductivity. Differing from cuprates and iron-based superconductors, these systems lack of the C$_4$ rotational symmetry. However, their parental compounds possess antiferromagnetic(AFM) Mott insulating states through pure superexchange interactions and the low energy physics near Fermi surfaces upon doping is also attributed mainly to the three t$_{2g}$ orbitals that dominate the AFM interactions. We derive a low energy effective model for these systems and predict that a d-wave-like superconducting state with reasonable high transition temperature can emerge by suppressing the AFM ordering even if the pairing symmetry can not be classified by the rotational symmetry any more., Comment: 5 pages, 5 figures, one supplementary file

We predict that a non-centrosymmetric material NaSnBi locates in a three-dimensional non-trivial topological phase under ambient pressure based on first-principle calculations. By deriving the effective model around $\Gamma$ point, we find that the topological phase transition is driven by a Rashba spin-orbital coupling through an odd number of pairs of band touch because of a small anisotropic gap caused by quintic dispersion terms. In contrast to conventional topological insulators, the spin texture of surface Dirac cone is right-handed and the surface states are strikingly different for different surface terminations., Comment: 6 pages, 5 figures, 2 tables

We predicted that AMgBi (A=K,Rb Cs), which have the same lattice structures as the 111 family of iron-based superconductors (Na/LiFeAs), are symmetry-protected Dirac semimetals located near the boundary of type-I and type-II Dirac semimetal phases. Doping Rb or Cs into KMgBi can drive the transition between the two phases. The materials can also be turned into Weyl semimetals and topological insulators by explicitly or spontaneously breaking time-reversal symmetry and C$_4$ lattice symmetry respectively., Comment: 5 pages, 4 figures

The experimental observable properties of the triplet $p_z$-wave pairing state, proposed by Wu {\em et al.} [arXiv:1503.06707] in quasi-one dimensional A$_2$Cr$_3$As$_3$ materials, are theoretically investigated. This pairing state is characterized by the line nodes on the $k_z=0$ plane on the Fermi surfaces. Based on the three-band tight binding model, we obtain the specific heat, superfluid density, Knight shift and spin relaxation rate and find that all these properties at low temperature ($T\ll T_c$) show powerlaw behaviors and are consistent available experiments. Particularly, the superfluid density determined by the $p_z$-wave pairing state in this quasi-one dimensional system is anisotropic: the in-plane superfluid density varies as $\Delta\rho_{\parallel}\sim T$ but the out-plane one varies as $\Delta\rho_{\perp}\sim T^3$ at low temperature. The anisotropic upper critical field reported in experiment is consistent with the $S_z=0$ (i.e., $(\uparrow\downarrow+\downarrow\uparrow)$) $p_z$-wave pairing state. We also suggest the phase-sensitive dc-SQUID measurements to pin down the triplet $p_z$-wave pairing state., Comment: 5 pages, 5 figures, + supplemental materials, Fig.3 is updated

We investigate topological properties in the Fe(Te,Se) thin films. We find that the single layer FeTe$_{1-x}$Se$_x$ has nontrivial $Z_2$ topological invariance which originates from the parity exchange at $\Gamma$ point of Brillouin zone. The nontrivial topology is mainly controlled by the Te(Se) height. Adjusting the height, which can be realized as function of $x$ in FeTe$_{1-x}$Se$_x$, can drive a topological phase transition. In a bulk material, the two dimensional $Z_2$ topology invariance is extended to a strong three-dimensional one. In a thin film, we predict that the topological invariance oscillates with the number of layers. The results can also be applied to iron-pnictides. Our research establishes FeTe$_{1-x}$Se$_x$ as a unique system to integrate high T$_c$ superconductivity and topological properties in a single electronic structure., Comment: 4.5 pages and 5 figures

We predict that CaFeAs$_2$, a newly discovered iron-based high temperature (T$_c$) superconductor, is a staggered intercalation compound that integrates topological quantum spin hall (QSH) and superconductivity (SC). CaFeAs$_2$ has a structure with staggered CaAs and FeAs layers. While the FeAs layers are known to be responsible for high T$_c$ superconductivity, we show that with spin orbital coupling each CaAs layer is a $Z_{2}$ topologically nontrivial two-dimensional QSH insulator and the bulk is a 3-dimensional weak topological insulator. In the superconducting state, the edge states in the CaAs layer are natural 1D topological superconductors. The staggered intercalation of QSH and SC provides us an unique opportunity to realize and explore novel physics, such as Majorana modes and Majorana Fermions chains., Comment: 4.5 pages, 5 figures + supplemental material,published version

The new discovered iron-based superconductors have chain-like As layers. These layers generate an additional 3-dimensional hole pocket and cone-like electron pockets. The former is attributed to the Ca $d$ and As1 $p_z$ orbitals and the latter are attributed to the anisotropic Dirac cone, contributed by As1 $p_x$ and $p_y$ orbitals. We find that large gaps on these pockets open in the collinear antiferromagnetic ground state of CaFeAs$_2$, suggesting that the chain-like As layers are strongly coupled to FeAs layers. Moreover due to the low symmetry crystal induced by the As layers, the bands attributed to FeAs layers in $k_y=\pi$ plane are two-fold degenerate but in $k_x=\pi$ plane are lifted. This degeneracy is protected by a hidden symmetry $\hat{\Upsilon}=\hat{T}\hat{R}_y$. Ignoring the electron cones, the materials can be well described by a six-band model, including five Fe $d$ and As1 $p_z$ orbitals. We suggest that these new features may help us to identify the sign change and pairing symmetry in iron based superconductors., Comment: 7 pages, 10 figures