arXiv subjects

Yugui Yao

Publications and source records attributed to Yugui Yao.

At least 145 records · Page 8Linked to original sources

arXiv2023

Surface-termination-dependent electronic states in kagome superconductors AV3Sb5 (A = K, Rb, Cs) studied by micro-ARPES

Recently discovered kagome superconductors AV3Sb5 (A = K, Rb, Cs) exhibit exotic bulk and surface physical properties such as charge-density wave (CDW) and chirality, whereas their origins remain unresolved. By using micro-focused angle-resolved photoemission spectroscopy, we discovered that AV3Sb5 commonly exhibits two distinct polar surfaces depending on the termination; electron- and hole-doped ones for the A- and Sb-termination, respectively. We observed that the kagome-derived band shows a clear splitting in the A-terminated surface while it is absent in the Sb-terminated counterpart, indicative of the polarity-dependent CDW at the surface. Close comparison of the band-dependent splitting reveals that the three-dimensional CDW structure of the K-terminated surface is different from that of the Rb- or Cs-terminated surface, suggesting the diversity of the CDW ground state. These results provide important insight into the origin of CDW in kagome superconductors AV3Sb5.

cond-mat.supr-con↗

arXiv2023

Pressure-Induced Superconductivity in Topological Heterostructure (PbSe)5(Bi2Se3)6

Recently, the natural heterostructure of (PbSe)5(Bi2Se3)6 has been theoretically predicted and experimentally confirmed as a topological insulator. In this work, we induce superconductivity in (PbSe)5(Bi2Se3)6 by implementing high pressure. As increasing pressure up to 10 GPa, superconductivity with Tc ~ 4.6 K suddenly appears, followed by an abrupt decrease. Remarkably, upon further compression above 30 GPa, a new superconducting state arises, where pressure raises the Tc to an unsaturated 6.0 K within the limit of our research. Combining XRD and Raman spectroscopies, we suggest that the emergence of two distinct superconducting states occurs concurrently with the pressure-induced structural transition in this topological heterostructure (PbSe)5(Bi2Se3)6.

cond-mat.supr-con↗

arXiv2022

Tunable van Hove singularity without structural instability in Kagome metal CsTi$_3$Bi$_5$

In Kagome metal CsV$_3$Sb$_5$, multiple intertwined orders are accompanied by both electronic and structural instabilities. These exotic orders have attracted much recent attention, but their origins remain elusive. The newly discovered CsTi$_3$Bi$_5$ is a Ti-based Kagome metal to parallel CsV$_3$Sb$_5$. Here, we report angle-resolved photoemission experiments and first-principles calculations on pristine and Cs-doped CsTi$_3$Bi$_5$ samples. Our results reveal that the van Hove singularity (vHS) in CsTi$_3$Bi$_5$ can be tuned in a large energy range without structural instability, different from that in CsV$_3$Sb$_5$. As such, CsTi$_3$Bi$_5$ provides a complementary platform to disentangle and investigate the electronic instability with a tunable vHS in Kagome metals.

cond-mat.str-el↗

arXiv2022

Landau level spectrum and magneto-optical conductivity in tilted Weyl semimetal

We present a systematic investigation of the magnetoresponses of the Weyl points (WPs) with a topological charge of n = 2, 3 and 4, and with both linear and quadratic energy tilt. The linear tilt always tends to squeeze the Landau levels (LLs) of both conduction and valence bands of all the WPs, and eventually leads to LL collapse in the type-II phase. However, the quadratic energy tilt has more complex influences on the LLs of the unconventional WPs. For charge-n (n = 2, 4) WP, the influence of the quadratic tilt on the LLs of conduction and valence bands are opposite, i.e. if the LLs of conduction (valence) bands are squeezed, then that of the valence (conduction) bands are broadened, and the squeezed LL spectrum will be collapsed in type-III phase. But, the LL collapse generally can not be found in the type-III charge-3 WP. Moreover, for charge-n (n = 2, 3) WP, the quadratic tilt breaks the degeneracy of the chiral LLs regardless of the direction of the magnetic field, leading to additional optical transitions and magneto-optical conductivity peaks at low frequencies. Interestingly, the four chiral LLs in charge-4 WP are always not degenerate. Hence, there inevitably exist magneto-optical conductivity peaks at low frequencies for charge-4 WP. Since the density of state of the LL spectrum is very large, one can expect that the low-frequency magneto-optical responses in unconventional WPs would be significant and may be used for developing efficient terahertz photodetectors.

cond-mat.str-el↗

arXiv2022

Realization of Practical Eightfold Fermions and Fourfold van Hove Singularity in TaCo$_2$Te$_2$

Space groups describing the symmetry of lattice structure allow the emergence of fermionic quasiparticles with various degeneracy in the band structure. Theoretical efforts have predicted many materials hosting fermions with the highest degeneracy, i.e., eightfold fermions, yet lacking experimental realization. Here, we explore the band degeneracies in TaCo$_2$Te$_2$ crystals. Through systematic experimental and theoretical analyses, we establish TaCo$_2$Te$_2$ as a nonsymmorphic crystal with negligible spin-orbit coupling (SOC) and long-range magnetic order. These critical properties guarantee the first realization of practical eightfold fermions and fourfold van Hove singularity, as directly observed by photoemission spectroscopy. TaCo$_2$Te$_2$ serves as a topological quantum critical platform, which can be tuned into various magnetic, topologically trivial, and nontrivial phases by adding strain, magnetic field, or SOC. The latter is demonstrated by our first-principles calculations, which show that enhancing SOC in TaCo$_2$Te$_2$ will promote the experimental observation of bulk hourglass fermions. Our results establish TaCo$_2$Te$_2$ as a unique platform to explore states of matter intertwining magnetism, correlation, symmetry, and band topology.

cond-mat.str-el↗

arXiv2022

MSGCorep: A package for corepresentations of magnetic space groups

Motivated by easy access to complete corepresentation (corep) data of all the 1651 magnetic space groups (MSGs) in three-dimensional space, we have developed a Mathematica package MSGCorep to provide an offline database of coreps and various functions to manipulate them, based on our previous package SpaceGroupIrep. One can use the package MSGCorep to obtain the elements of any MSG and magnetic little group, to calculate the multiplication of group elements, to obtain the small coreps at any k-point and full coreps of any magnetic k-star for any MSG and show them in a user-friendly table form, to calculate and show the decomposition of direct products of full coreps between any two specified magnetic k-stars, and to determine the small coreps of energy bands. Both single-valued and double-valued coreps are supported. In addition, the 122 magnetic point groups (MPGs) and their coreps are also supported by this package. To the best of our knowledge, MSGCorep is the first package that is able to calculate the direct product of full coreps for any MSG and able to determine small coreps of energy bands for general purpose. In a word, the MSGCorep package is an offline database and tool set for MSGs, MPGs, and their coreps, and it is very useful to study the symmetries in magnetic and nonmagnetic materials.

cond-mat.mtrl-sci↗

arXiv2022

Pressured-induced superconductivity extending across the topological phase transition in thallium-based topological materials TlBi(S1-xSex)2

The coexistence of superconductivity and topology holds the potential to realize exotic quantum states of matter. Here we report that superconductivity induced by high pressure in three thallium-based materials, covering the phase transition from a normal insulator (TlBiS2) to a topological insulator (TlBiSe2) through a Dirac semimetal (TlBiSeS). By increasing the pressure up to 60 GPa, we observe superconductivity phase diagrams with maximal Tc values at 6.0-8.1 K. Our density-functional theory calculations reveal topological surface states in superconductivity phases for all three compounds. Our study paves the path to explore topological superconductivity and topological phase transitions.

cond-mat.supr-con↗

arXiv2022

Plasmons in a two-dimensional nonsymmorphic nodal-line semimetal

Recent experiments have established a type of nonsymmorphic symmetry protected nodal lines in the family of two-dimensional (2D) composition tunable materials NbSi$_x$Te$_2$. Here, we theoretically study the plasmonic properties of such nonsymmorphic nodal-line semimetals. We show that the nonsymmorphic character endows the plasmons with extremely strong anisotropy. There exist both intraband and interband plasmon branches. The intraband branch is gapless and has a $q^{1/2}$ dispersion. It is most dispersive and is independent of carrier density in direction normal to the nodal line, whereas along the nodal line, its dispersion is largely suppressed and its frequency scales linearly with carrier density. The interband branches are gapped and their long wavelength limits are connected with van Hove singularities of the band structure. We find that the single particle excitations are strongly suppressed in such systems, which decreases the Landau damping of plasmons. These characters are further verified by first-principles calculations on 2D NbSi$_x$Te$_2$. Interesting features in static screening of charged impurity are also discussed. Our result reveals characteristic plasmons in a class of nonsymmorphic topological semimetals and offers guidance for its experimental detection and possible applications.

cond-mat.mes-hall↗

arXiv2022

Probing Phase Transition of Band Topology via Radiation Topology

Topological photonics has received extensive attention from researchers because it provides brand new physical principles to manipulate light. Band topology of optical materials is characterized using the Berry phase defined by Bloch states. Until now, the criteria for experimentally probing the topological phase transition of band topology has always been relatively lacking in topological physics. Moreover, radiation topology can be aroused by the far-field polarizations of the radiating Bloch states, which is described by the Stokes phase. Although such two types of topologies are both related to Bloch states on the band structure, it is rather surprising that their development is almost independent. Here, we reveal that the phase transition of band topology can be probed by the radiation topology. We theoretically design and experimentally demonstrate such an intriguing phenomenon by constructing photonic crystals that support optical analogs of quantum spin Hall effects. The results show that the topological charge of the far-field polarization vortex changes from +1 to -2 or from -2 to +1 when the band topology changes from trivial to non-trivial, which provides a new criterion to probe the phase transition of band topology using radiation topology. Our findings not only provide an insightful understanding of band topology and radiation topology, but also can serve as a novel route to manipulate the near and far fields of light.

physics.optics↗

arXiv2022

Encyclopedia of emergent particles in 528 magnetic layer groups and 394 magnetic rod groups

We present a systematic classification of emergent particles in all 528 magnetic layer groups and 394 magnetic rod groups, which describe two-dimensional and one-dimensional crystals respectively. Our approach is via constructing a correspondence between a given magnetic layer/rod group and one of the magnetic space group, such that all irreducible representations of the layer/rod group can be derived from those of the corresponding space group. Based on these group representations, we explicitly construct the effective models for possible band degeneracies and identify all emergent particles, including both spinless and spinful cases. We find that there are six kinds of particles protected by magnetic layer groups and three kinds by magnetic rod groups. Our work provides a useful reference for the search and design of emergent particles in lower dimensional crystals.

cond-mat.mtrl-sci↗

arXiv2022

Hourglass Charge-Three Weyl Phonons

Unconventional Weyl point with nonlinear dispersion features higher topological charge $|{\cal{C}}|>1$ and multiple topologically protected Fermi arc states at its boundary. As a novel topological state, it has been attracting widespread attention. However, the unconventional Weyl point with $|{\cal{C}}|=3$ has not yet been reported in realistic materials, even though it has been theoretically proposed for more than a decade. In this work, based on first-principles calculations and theoretical analysis, we predict the existing material, $\rmα$-LiIO$_3$ as the first realistic example with this unconventional Weyl point. Particularly, in the phonon spectra of $\rmα$-LiIO$_3$, two Weyl points with ${\cal{C}}=-3$, connected by time-reversal symmetry, appear at the neck crossing-point of a hourglass-type band, leading to two hourglass charge-3 Weyl phonons. The symmetry protection and the associated novel triple- and sextuple-helicoid surface arc states of the hourglass charge-3 Weyl phonons are revealed. Our results uncover a hidden topological character of $\rmα$-LiIO$_3$ and also show that the phonon spectra is a great platform for exploring unconventional topological states.

cond-mat.mtrl-sci↗

arXiv2022

Room-temperature quantum spin Hall edge state in a higher-order topological insulator Bi$_4$Br$_4$

Room-temperature realization of macroscopic quantum phenomena is one of the major pursuits in fundamental physics. The quantum spin Hall state, a topological quantum phenomenon that features a two-dimensional insulating bulk and a helical edge state, has not yet been realized at room temperature. Here, we use scanning tunneling microscopy to visualize a quantum spin Hall edge state on the surface of the higher-order topological insulator Bi4Br4. We find that the atomically resolved lattice exhibits a large insulating gap of over 200meV, and an atomically sharp monolayer step edge hosts a striking in-gap gapless state, suggesting the topological bulk-boundary correspondence. An external magnetic field can gap the edge state, consistent with the time-reversal symmetry protection inherent to the underlying topology. We further identify the geometrical hybridization of such edge states, which not only attests to the Z2 topology of the quantum spin Hall state but also visualizes the building blocks of the higher-order topological insulator phase. Remarkably, both the insulating gap and topological edge state are observed to persist up to 300K. Our results point to the realization of the room-temperature quantum spin Hall edge state in a higher-order topological insulator.

cond-mat.mes-hall↗

arXiv2022

In-plane anomalous Hall effect in PT-symmetric antiferromagnetic materials

Anomalous Hall effect (AHE), a protocol of various low-power dissipation quantum phenomena and a fundamental precursor of intriguing topological phases of matter, is usually observed in ferromagnetic materials with orthogonal configuration between the electric field, magnetization and the Hall current. Here, based on the symmetry analysis, we find an unconventional AHE induced by the in-plane magnetic field (IPAHE) via spin-canting effect in $\mathcal{PT}$ symmetric antiferromagnetic (AFM) systems, featuring a linear dependence of magnetic field and 2$π$ angle periodicity with a comparable magnitude as conventional AHE. We demonstrate the key findings in the known AFM Dirac semimetal CuMnAs and a new kind of AFM heterodimensional VS$_2$-VS superlattice with a nodal-line Fermi surface and also briefly discuss the experimental detection. Our work provides an efficient pathway to search and/or design realistic materials for novel IPAHE that could greatly facilitate their application in AFM spintronic devices.

cond-mat.mes-hall↗

arXiv2022

Second-order topological magneto-optical effects in noncoplanar antiferromagnets

The second-order magneto-optical effects, represented by Voigt and Schäfer-Hubert effects, are effective methods to detect the spin textures in antiferromagnets, whereas the previous studies are usually limited to collinear antiferromagnets. In noncollinear antiferromagnets, the spin textures characterized by spin chirality have been revealed to play a critical role in many exciting physics. In particular, the first-order topological magneto-optical effects originated from scalar spin chirality have been discovered recently. In this work, using the first-principles calculations and group theory analysis, we generalize the first-order topological magneto-optical effects to the second-order cases, that is, topological Voigt and Schäfer-Hubert effects, by taking the noncoplanar 3Q spin state of $γ$-Fe$_{x}$Mn$_{1-x}$ alloy as an example. The conventional Voigt and Schäfer-Hubert effects are comparatively studied in the collinear 1Q and 2Q spin states of $γ$-Fe$_{x}$Mn$_{1-x}$ alloy. In addition, the natural linear birefringence due to crystal anisotropy is discussed in the strained 1Q, 2Q, and 3Q states, and a unique fingerprint for experimentally distinguishing the second-order topological magneto-optical effects and natural linear birefringence is identified. Our work brings a topological insight into the second-order magneto-optical effects in noncoplanar antiferromagnets and also provides $γ$-Fe$_{x}$Mn$_{1-x}$ as an attractive material platform for future experimental exploration.

cond-mat.mtrl-sci↗

arXiv2022

Band tilt induced nonlinear Nernst effect in topological insulators: An efficient generation of high-performance spin polarization

Topological insulators (TIs) hold promise as a platform for spintronics applications due to the fascinating spin-momentum locking (SML) of the surface states. One particular interest lies in using TIs as spin-polarized sources for spintronics structures. Here, we propose the band tilt induced nonlinear Nernst effect (NLNE) in TIs as a clean and efficient route to generate high-performance spin polarization (SP). We show that in the presence of SML and hexagonal warping effect a finite band tilt can induce an imbalance of two spin carriers and effectively give rise to spin-polarized NLNE current in TIs. In our scheme, both the spin current and charge current regime can be achieved under the thermal drive. The obtainable SP can be efficiently tuned in either a smooth or rapid way, exhibiting highly flexible tunability. In addition, near-unity SP can be generated within a wide range of tunable parameters, which is also found to be robust against temperature. Therefore, our work provides a mechanism to realize controllable room-temperature high-degree SP based on TIs, which is of essential importance for future spintronics applications.

cond-mat.mes-hall↗

arXiv2022

Disorder- and Topology-Enhanced Fully Spin-Polarized Currents in Nodal Chain Spin-Gapless Semimetals

Recently discovered high-quality nodal chain spin-gapless semimetals $M$F$_3$ ($M$ = Pd, Mn) feature an ultra-clean nodal chain in the spin up channel residing right at the Fermi level and displaying a large spin gap leading to a 100\% spin-polarization of transport properties. Here, we investigate both intrinsic and extrinsic contributions to anomalous and spin transport in this class of materials. The dominant intrinsic origin is found to originate entirely from the gapped nodal chains without the entanglement of any other trivial bands. The side-jump mechanism is predicted to be negligibly small, but intrinsic skew-scattering enhances the intrinsic Hall and Nernst signals significantly, leading to large values of respective conductivities. Our findings open a new material platform for exploring strong anomalous and spin transport properties in magnetic topological semimetals.

cond-mat.mes-hall↗

arXiv2022

Electronic Correlations and Evolution of the Charge-Density Wave in the Kagome Metals $A$V$_{3}$Sb$_{5}$ ($A$ = K, Rb, Cs)

The kagome metals $A$V$_{3}$Sb$_{5}$ ($A$ = K, Rb, Cs) have attracted enormous interest as they exhibit intertwined charge-density wave (CDW) and superconductivity. The alkali-metal dependence of these characteristics contains pivotal information about the CDW and its interplay with superconductivity. Here, we report optical studies of $A$V$_{3}$Sb$_{5}$ across the whole family. With increasing alkali-metal atom radius from K to Cs, the CDW gap increases monotonically, whereas $T_{\text{CDW}}$ first rises and then drops, at variance with conventional CDW. While the Fermi surface gapped by the CDW grows, $T_{c}$ is elevated in CsV$_{3}$Sb$_{5}$, indicating that the interplay between the CDW and superconductivity is not simply a competition for the density of states near \EF. More importantly, we observe an enhancement of electronic correlations in CsV$_{3}$Sb$_{5}$, which suppresses the CDW but enhances superconductivity, thus accounting for the above peculiar observations. Our results suggest electronic correlations as an important factor in manipulating the CDW and its entanglement with superconductivity in $A$V$_{3}$Sb$_{5}$.

cond-mat.supr-con↗

arXiv2022

The first- and second-order magneto-optical effects and intrinsically anomalous transport in 2D van der Waals layered magnets CrXY (X = S, Se, Te; Y = Cl, Br, I)

Recently, the two-dimensional magnetic semiconductor CrSBr has attracted considerable attention due to its excellent air-stable property and high magnetic critical temperature. Here, we systematically investigate the electronic structure, magnetocrystalline anisotropy energy, first-order magneto-optical effects (Kerr and Faraday effects) and second-order magneto-optical effects (Schafer-Hubert and Voigt effects) as well as intrinsically anomalous transport properties (anomalous Hall, anomalous Nernst, and anomalous thermal Hall effects) of two-dimensional van der Waals layered magnets CrXY (X = S, Se, Te; Y = Cl, Br, I) by using the first-principles calculations. Our results show that monolayer and bilayer CrXY (X = S, Se) are narrow band gap semiconductors, whereas monolayer and bilayer CrTeY are multi-band metals. The magnetic ground states of bilayer CrXY and the easy magnetization axis of monolayer and bilayer CrXY are confirmed by the magnetocrystalline anisotropy energy calculations. Utilizing magnetic group theory analysis, the first-order magneto-optical effects as well as anomalous Hall, anomalous Nernst, and anomalous thermal Hall effects are identified to exist in ferromagnetic state with out-of-plane magnetization. The second-order magneto-optical effects are not restricted by the above symmetry requirements, and therefore can arise in ferromagnetic and antiferromagnetic states with in-plane magnetization. The calculated results are compared with the available theoretical and experimental data of other two-dimensional magnets and some conventional ferromagnets. The present work reveals that monolayer and bilayer CrXY with superior magneto-optical responses and anomalous transport properties provide an excellent material platform for the promising applications of magneto-optical devices, spintronics, and spin caloritronics.

cond-mat.mtrl-sci↗