arXiv subjects

Xianxin Wu

Publications and source records attributed to Xianxin Wu.

At least 91 records · Page 5Linked to original sources

arXiv2021

Competition of superconductivity and charge density wave in selective oxidized CsV3Sb5 thin flakes

The recently discovered layered kagome metals AV$_3$Sb$_5$ (A = K, Rb, and Cs) with vanadium kagome networks provide a novel platform to explore correlated quantum states intertwined with topological band structures. Here we report the prominent effect of hole doping on both superconductivity and charge density wave (CDW) order, achieved by selective oxidation of exfoliated thin flakes. A superconducting dome is revealed as a function of the effective doping content. The superconducting transition temperature ($T_{\mathrm{c}}$) and upper critical field in thin flakes are significantly enhanced compared with the bulk, which is accompanied by the suppression of CDW. Our detailed analyses establish the pivotal role of van Hove singularities (VHSs) in promoting correlated quantum orders in these kagome metals. Our experiment not only demonstrates the intriguing nature of superconducting and CDW orders, but also provides a novel route to tune the carrier concentration through both selective oxidation and electric gating. This establishes AV$_3$Sb$_5$ as a tunable 2D platform for the further exploration of topology and correlation among 3$d$ electrons in kagome lattices.

cond-mat.supr-con↗

arXiv2021

Symmetry-enforced topological band crossings in orthorhombic crystals: Classification and materials discovery

We identify all symmetry-enforced band crossings in nonmagnetic orthorhombic crystals with and without spin-orbit coupling and discuss their topological properties. We find that orthorhombic crystals can host a large number of different band degeneracies, including movable Weyl and Dirac points with hourglass dispersions, fourfold double Weyl points, Weyl and Dirac nodal lines, almost movable nodal lines, nodal chains, and topological nodal planes. Interestingly, spin-orbit coupled materials in the space groups 18, 36, 44, 45, and 46 can have band pairs with only two Weyl points in the entire Brillouin zone. This results in a simpler connectivity of the Fermi arcs and more pronounced topological responses than in materials with four or more Weyl points. In addition, we show that the symmetries of the space groups 56, 61, and 62 enforce nontrivial weak $\mathbb{Z}_2$ topology in materials with strong spin-orbit coupling, leading to helical surface states. With these classification results in hand, we perform extensive database searches for orthorhombic materials crystallizing in the relevant space groups. We find that Sr$_2$Bi$_3$ and Ir$_2$Si have bands crossing the Fermi energy with a symmetry-enforced nontrivial $\mathbb{Z}_2$ invariant, CuIrB possesses nodal chains near the Fermi energy, Pd$_7$Se$_4$ and Ag$_2$Se exhibit fourfold double Weyl points, the latter one even in the absence of spin-orbit coupling, whereas the fourfold degeneracies in AuTlSb are made up from intersecting nodal lines. For each of these examples we compute the ab-initio band structures, discuss their topologies, and for some cases also calculate the surface states.

cond-mat.mtrl-sci↗

arXiv2021

Rich Nature of Van Hove Singularities in Kagome Superconductor CsV$_3$Sb$_5$

The recently discovered layered kagome metals AV$_3$Sb$_5$ (A=K, Rb, Cs) exhibit diverse correlated phenomena, which are intertwined with a topological electronic structure with multiple van Hove singularities (VHSs) in the vicinity of the Fermi level. As the VHSs with their large density of states enhance correlation effects, it is of crucial importance to determine their nature and properties. Here, we combine polarization-dependent angle-resolved photoemission spectroscopy with density functional theory to directly reveal the sublattice properties of 3d-orbital VHSs in CsV$_3$Sb$_5$. Four VHSs are identified around the M point and three of them are close to the Fermi level, with two having sublattice-pure and one sublattice-mixed nature. Remarkably, the VHS just below the Fermi level displays an extremely flat dispersion along MK, establishing the experimental discovery of higher-order VHS. The characteristic intensity modulation of Dirac cones around K further demonstrates the sublattice interference embedded in the electronic structure. The crucial insights into the electronic structure, revealed by our work, provide a solid starting point for the understanding of the intriguing correlation phenomena in the kagome metals AV$_3$Sb$_5$.

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arXiv2021

Topological insulators in the NaCaBi family with large SOC gaps

By means of first-principles calculations and crystal structure searching techniques, we predict that a new NaCaBi family crystallized into the ZrBeSi-type structure (\ie $P6_{3}/mmc$) are strong topological insulators (STIs). Taking $P6_{3}/mmc$ NaCaBi as an example, the calculated band structure indicates that there is a band inversion between two opposite-parity bands at the $Γ$ point. In contrast to the well-known Bi$_2$Se$_3$ family, the band inversion in the NaCaBi family has already occured even without spin-orbit coupling (SOC), giving rise to a nodal ring surrounding $Γ$ in the $k_z=0$ plane (protected by $M_z$ symmetry). With time reversal symmetry $(\cal T)$ and inversion symmetry $(\cal I)$, the spinless nodal-line metallic phase protected by $[{\cal TI}]^2=1$ is the weak-SOC limit of the spinful topological insulating phase. Upon including SOC, the nodal ring is gapped, driving the system into a STI. Besides inversion symmetry, the nontrivial topology of NaCaBi can also be indicated by $\bar{6}$ symmetry. More surprisingly, the SOC-induced band gap in NaCaBi is about 0.34 eV, which is larger than the energy scale of room temperature. Four other compounds (KBaBi, KSrBi, RbBaBi and RbSrBi) in the family are stable at ambient pressure, both in thermodynamics and lattice dynamics, even though the gaps of them are smaller than that of NaCaBi. Thus, they provide good platforms to study topological states both in theory and experiments.

cond-mat.mtrl-sci↗

arXiv2021

From high-$T_c$ to low-$T_c$: Multi-orbital effects in transition metal oxides

Despite the structural resemblance of certain cuprate and nickelate parent compounds there is a striking spread of $T_c$ among such transition metal oxide superconductors. We adopt a minimal two-orbital $e_g$ model which covers cuprates and nickelate heterostructures in different parametric limits, and analyse its superconducting instabilities. The joint consideration of interactions, doping, Fermiology, and in particular the $e_g$ orbital splitting allows us to explain the strongly differing pairing propensities in cuprate and nickelate superconductors.

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arXiv2020

Origin of the Electronic Structure in Single-Layer FeSe/SrTiO3 Films

The accurate theoretical description of the underlying electronic structures is essential for understanding the superconducting mechanism of iron-based superconductors. Compared to bulk FeSe, the superconducting single-layer FeSe/SrTiO3 films exhibit a distinct electronic structure consisting of only electron Fermi pockets, due to the formation of a new band gap at the Brillouin zone (BZ) corners and an indirect band gap between the BZ center and corners. Although intensive studies have been carried out, the origin of such a distinct electronic structure and its connection to bulk FeSe remain unclear. Here we report a systematic study on the temperature evolution of the electronic structure in single-layer FeSe/SrTiO3 films by angle-resolved photoemission spectroscopy. A temperature-induced electronic phase transition was clearly observed at 200 K, above which the electronic structure of single-layer FeSe/SrTiO3 films restored to that of bulk FeSe, characterized by the closing of the new band gap and the vanishing of the indirect band gap. Moreover, the interfacial charge transfer effect induced band shift of ~ 60 meV was determined for the first time. These observations not only show the first direct evidence that the electronic structure of single-layer FeSe/SrTiO3 films originates from bulk FeSe through a combined effect of an electronic phase transition and an interfacial charge transfer, but also provide a quantitative basis for theoretical models in describing the electronic structure and understanding the superconducting mechanism in single-layer FeSe/SrTiO3 films.

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arXiv2020

Direct evidence of electron-hole compensation for XMR in topologically trivial YBi

The prediction of topological states in rare earth monopnictide compounds has attracted renewed interest. Extreme magnetoresistance (XMR) has also been observed in several nonmagnetic rare earth monopnictide compounds. The origin of XMR in these compounds could be attributed to several mechanisms, such as topologically nontrivial electronic structures and electron-hole carrier balance. YBi is a typical rare earth monopnictide exhibiting XMR, and expected to have a nontrivial electronic structure. In this work, we performed a direct investigation of the electronic structure of YBi by combining angle resolved photoemission spectroscopy and theoretical calculations. Our results show that YBi is topologically trivial without the expected band inversion, and they rule out the topological effect as the cause of XMR in YBi. Furthermore, we directly observed perfect electron-hole compensation in the electronic structure of YBi, which could be the primary mechanism accounting for the XMR.

cond-mat.mtrl-sci↗

arXiv2020

Boundary-obstructed topological high-T$_c$ superconductivity in iron pnictides

Non-trivial topology and unconventional pairing are two central guiding principles in the contemporary search for and analysis of superconducting materials and heterostructure compounds. Previously, a topological superconductor has been predominantly conceived to result from a topologically non-trivial band subject to intrinsic or external superconducting proximity effect. Here, we propose a new class of topological superconductors which are uniquely induced by unconventional pairing. They exhibit a boundary-obstructed higher-order topological character and, depending on their dimensionality, feature unprecedently robust Majorana bound states or hinge modes protected by chiral symmetry. We predict the 112-family of iron pnictides, such as Ca$_{1-x}$La$_x$FeAs$_2$, to be a highly suited material candidate for our proposal, which can be tested by edge spectroscopy. Because of the boundary-obstruction, the topologically non-trivial feature of the 112 pnictides does not reveal itself for a bulk-only torus band analysis without boundaries, and as such had evaded previous investigations. Our proposal not only opens a new arena for highly stable Majorana modes in high-temperature superconductors, but also provides the smoking gun evidence for extended s-wave order in the iron pnictides.

cond-mat.supr-con↗

arXiv2020

BaCuS2: a superconductor with moderate electron-electron correlation

We show that the layered-structure BaCuS$_2$ is a moderately correlated electron system in which the electronic structure of the CuS layer bears a resemblance to those in both cuprates and iron-based superconductors. Theoretical calculations reveal that the in-plane $d$-$p$ $σ^*$-bonding bands are isolated near the Fermi level. As the energy separation between the $d$ and $p$ orbitals are much smaller than those in cuprates and iron-based superconductors, BaCuS$_2$ is expected to be moderately correlated. We suggest that this material is an ideal system to study the competitive/collaborative nature between two distinct superconducting pairing mechanisms, namely the conventional BCS electron-phonon interaction and the electron-electron correlation, which may be helpful to establish the elusive mechanism of unconventional high-temperature superconductivity.

cond-mat.supr-con↗

arXiv2020

Zone-folded longnitude acoustic phonons driving self-trapped state emission in colloidal CdSe nanoplate superlattice

Colloidal cadmium chalcogenide nanoplates are two-dimensional semiconductors that have shown great application prospect for light-emitting technologies. Self-trapped state (STS), a special localized state originated from strong electron-phonon coupling (EPC), has great potential in one-step white light luminance owing to its broadband emission linewidth. However, achieving STS in cadmium chalcogenide nanocrystals is extremely challenging due to their intrinic weak EPC nature. By building hybrid superlattice (SL) structures via self-assembly of colloidal CdSe nanoplates (NPLs), we demonstrated an emergence of zone-folded longnitude acoustic phonons (ZFLAP) differ from monodispersed NPLs, and observed a broadband STS emission in spectra range of 450-600 nm. Through femtosecond transient absorption and impulsive vibrational spectroscopy, we revealed that STS is generated in time scale of ~500 fs and is driven by strong coupling of excitons and ZFLAPs with Huang-Rhys parameter as large as ~22.7. Our findings provide a new avenue for generating and manipulating STS emission by artificially designing and building hybrid periodic structures superior to single material optimization.

cond-mat.mtrl-sci↗

arXiv2020

Surface $s$-wave superconductivity for oxide-terminated infinite-layer nickelates

We analyze the electronic structure of different surface terminations for infinite-layer nickelates. Surface NiO$_2$ layers are found to be buckled, in contrast to planar bulk layers. While the rare-earth terminated surface fermiology is similar to the bulk limit of the nickelates, the NiO$_2$ terminated surface band structure is significantly altered, originating from the effect of absence of rare-earth atoms on the crystal field splitting. Contrary to the bulk Fermi surfaces, there are two Ni-$3d$ Fermi pockets, giving rise to enhanced spectral weight around the $\bar{\text{M}}$ point in the surface Brillouin zone. From a strong-coupling analysis, we obtain dominant extended $s$-wave superconductivity for the surface layer, as opposed to $d$-wave for the bulk. This finding distinguishes the nickelates from isostructural cuprates, where the analogous surface pairing mechanism is less pronounced. Our results are consistent with region-dependent gap structures revealed in recent STM measurements and provide an ansatz to interpret experimental data of surface-sensitive measurements on the infinite-layer nickelates.

cond-mat.supr-con↗

arXiv2020

Intrinsic topological superconductivity with exactly flat surface bands in the quasi-one-dimensional A$_2$Cr$_3$As$_3$ (A=Na, K, Rb, Cs) superconductors

A spin-U(1)-symmetry protected momentum-dependent integer-$Z$-valued topological invariant is proposed to time-reversal-invariant (TRI) superconductivity (SC) whose nonzero value will lead to exactly flat surface band(s). The theory is applied to the weakly spin-orbit coupled quasi-1D A$_2$Cr$_3$As$_3$ (A=Na, K, Rb, Cs) superconductors family with highest $T_c$ up to 8.6 K with $p_z$-wave pairing in the $S_z=0$ channel. It's found that up to the leading atomic spin-orbit-coupling (SOC), the whole (001) surface Brillouin zone is covered with exactly-flat surface bands, with some regime hosting three flat bands and the remaining part hosting two. Such exactly-flat surface bands will lead to very sharp zero-bias conductance peak in the scanning tunneling microscopic spectrum. When a tiny subleading spin-flipping SOC is considered, the surface bands will only be slightly split. The application of this theory can be generalized to other unconventional superconductors with weak SOC, particularly to those with mirror-reflection symmetry.

cond-mat.supr-con↗

arXiv2020

Superconductivity from buckled-honeycomb-vacancy ordering

Vacancies are prevalent and versatile in solid-state physics and materials science. The role of vacancies in strongly correlated materials, however, remains uncultivated until now. Here, we report the discovery of an unprecedented vacancy state forming an extended buckled-honeycomb-vacancy (BHV) ordering in Ir$_{16}$Sb$_{18}$. Superconductivity emerges by suppressing the BHV ordering through squeezing of extra Ir atoms into the vacancies or isovalent Rh substitution. The phase diagram on vacancy ordering reveals the superconductivity competes with the BHV ordering. Further theoretical calculations suggest that this ordering originates from a synergistic effect of the vacancy formation energy and Fermi surface nesting with a wave vector of (1/3, 1/3, 0). The buckled structure breaks the crystal inversion symmetry and can mostly suppress the density of states near the Fermi level. The peculiarities of BHV ordering highlight the importance of "correlated vacancies" and may serve as a paradigm for exploring other non-trivial excitations and quantum criticality.

cond-mat.supr-con↗

arXiv2020

In the Pursuit of Majorana Modes in Iron-based High-$T_c$ Superconductors

Majorana zero mode is an exotic quasi-particle excitation with non-Abelian statistics in topological superconductor systems, and can serve as the cornerstone for topological quantum computation, a new type of fault-tolerant quantum computation architecture. This review paper highlights recent progress in realizing Majorana modes in iron-based high-temperature superconductors. We begin with the discussion on topological aspect of electronic band structures in iron-based superconductor compounds. Then we focus on several concrete proposals for Majorana modes, including the Majorana zero modes inside the vortex core on the surface of Fe(Te,Se), helical Majorana modes at the hinge of Fe(Te,Se), the Majorana zero modes at the corner of the Fe(Te,Se)/FeTe heterostructure or the monolayer Fe(Te,Se) under an in-plane magnetic field. We also review the current experimental stage and provide the perspective and outlook for this rapidly developing field.

cond-mat.supr-con↗

arXiv2020

Robust $d_{x^2-y^2}$-wave superconductivity of infinite-layer nickelates

Motivated by the recent observation of superconductivity in strontium doped NdNiO$_2$, we study the superconducting instabilities in this system from various vantage points. Starting with first-principles calculations, we construct two distinct tight-binding models, a simpler single-orbital as well as a three-orbital model, both of which capture the key low energy degrees of freedom to varying degree of accuracy. We study superconductivity in both models using the random phase approximation (RPA). We then analyze the problem at stronger coupling, and study the dominant pairing instability in the associated t-J model limit. In all instances, the dominant pairing tendency is in the $d_{x^2-y^2}$ channel, analogous to the cuprate superconductors.

cond-mat.supr-con↗

arXiv2020

Harmonic Fingerprint of Unconventional Superconductivity in Twisted Bilayer Graphene

Microscopic details such as interactions and Fermiology determine the structure of superconducting pairing beyond the spatial symmetry classification along irreducible point group representations. From the effective pairing vertex, the pairing wave function related to superconducting order unfolds in its orbital-resolved Fourier profile which we call the harmonic fingerprint (HFP). The HFP allows to formulate a concise connection between microsopic parameter changes and their impact on superconductivity. From a random phase approximation analysis of twisted bilayer graphene (TBG) involving $d+id$, $s_{\pm}$, and $f$-wave order, we find that nonlocal interactions, which unavoidably enter the low-energy electronic description of TBG, not only increase the weight of higher lattice harmonics but also have a significant effect on the orbital structure of these pairing states. For gapped unconventional superconducting order such as $s_{\pm}$ and $d+id$, a change in HPF induces enhanced gap anisotropies. Experimental implications to distinguish the different gaps and HPFs are also discussed.

cond-mat.supr-con↗

arXiv2020

Topological orders competing for the Dirac surface state in FeSeTe surfaces

FeSeTe has recently emerged as a leading candidate material for the two-dimensional topological superconductivity (TSC). Two reasons for the excitement are the high $T_c$ of the system and the fact that the Majorana zero modes (MZMs) inside the vortex cores live on the exposed surface rather than at the interface of a heterostructure as in the proximitized topological insulators. However, the recent scanning tunneling spectroscopy data have shown that, contrary to the theoretical expectation, the MZM does not exist inside every vortex core. Hence there are ``full'' vortices with MZMs and ``empty'' vortices without MZMs. Moreover the fraction of ``empty'' vortices increase with an increase in the magnetic field. We propose the possibility of two distinct gapped states competing for the topological surface states in FeSeTe: the TSC and half quantum anomalous Hall (hQAH). The latter is promoted by magnetic field through the alignment of magnetic impurities such as Fe interstitials. When hQAH takes over the topological surface state, the surface will become transparent to scanning tunneling microscopy and the nature of the vortex in such region will appear identical to what is expected of the vortices in the bulk, i.e., empty. Unmistakable signature of the proposed mechanism for empty vortices will be the existance of chiral Majorana modes(CMM) at the domain wall between a hQAH region and a TSC region. Such CMM should be observable by observing local density of states along a line connecting an empty vortex to a nearby full vortex.

cond-mat.supr-con↗

arXiv2020

Topological magnetic line defects in Fe(Te,Se) high-temperature superconductors

Magnetic impurity chains on top of conventional superconductors are promising platforms to realize Majorana modes. Iron-based high-temperature superconductors are known in the vicinity of magnetic states due to the strong Hund's coupling in iron atoms. Here we propose that the line defects with missing Te/Se anions in Fe(Se,Te) superconductors provide the realization of intrinsic antiferromagnetic(AFM) chains with Rashba spin-orbit coupling. Against conventional wisdom, Majorana zero modes (MZMs) can be robustly generated at these AFM chain ends. These results can consistently explain the recent experimental observation of zero-energy end states in line defects of monolayer Fe(Te,Se)/SrTiO$_3$ by scanning tunneling microscopy (STM) measurements. Our research not only demonstrates an unprecedented interplay among native line defect, emergent magnetism and topological superconductivity but also explores a high-temperature platform for Majorana fermions.

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