Double and Quadruple Flat Bands Tuned by Alternative Magnetic Fluxes in Twisted Bilayer Graphene.

Twisted bilayer graphene (TBG) can host the moiré energy flat bands with twofold degeneracy serving as a fruitful playground for strong correlations and topological phases. However, the number of degeneracy is not limited to two. Introducing a spatially alternative magnetic field, we report that the induced magnetic phase becomes an additional controllable parameter and leads to an undiscovered generation of fourfold degenerate flat bands. This emergence stems from the band inversion at the Γ point near the Fermi level with a variation of both twisted angle and magnetic phase. We present the conditions for the emergence of multifold degenerate flat bands, which are associated with the eigenvalue degeneracy of a Birman-Schwinger operator. Using holomorphic functions, which explain the origin of the double flat bands in the conventional TBG, we can generate analytical wave functions in the magnetic TBG to show absolute flatness with fourfold degeneracy. Moreover, we identify an orbital-related intervalley coherent state as the many-body ground state at charge neutrality. In contrast, the conventional TBG has only two moiré energy flat bands, and the highly degenerate flat bands with additional orbital channels in this magnetic platform might bring richer correlation physics.

Dirac Fermion Cloning, Moiré Flat Bands, and Magic Lattice Constants in Epitaxial Monolayer Graphene.

Tuning interactions between Dirac states in graphene has attracted enormous interest because it can modify the electronic spectrum of the 2D material, enhance electron correlations, and give rise to novel condensed-matter phases such as superconductors, Mott insulators, Wigner crystals, and quantum anomalous Hall insulators. Previous works predominantly focus on the flat band dispersion of coupled Dirac states from different twisted graphene layers. In this work, a new route to realizing flat band physics in monolayer graphene under a periodic modulation from substrates is proposed. Graphene/SiC heterostructure is taken as a prototypical example and it is demonstrated experimentally that the substrate modulation leads to Dirac fermion cloning and, consequently, the proximity of the two Dirac cones of monolayer graphene in momentum space. Theoretical modeling captures the cloning mechanism of the Dirac states and indicates that moiré flat bands can emerge at certain magic lattice constants of the substrate, specifically when the period of modulation becomes nearly commensurate with the ( 3 × 3 ) R 30 o \[(\sqrt 3 \; \times \;\sqrt 3 )R{30^o}\] supercell of graphene. The results show that epitaxial single monolayer graphene on suitable substrates is a promising platform for exploring exotic many-body quantum phases arising from interactions between Dirac electrons.

Giant anomalous Nernst signal in the antiferromagnet YbMnBi2.

A large anomalous Nernst effect (ANE) is crucial for thermoelectric energy conversion applications because the associated unique transverse geometry facilitates module fabrication. Topological ferromagnets with large Berry curvatures show large ANEs; however, they face drawbacks such as strong magnetic disturbances and low mobility due to high magnetization. Herein, we demonstrate that YbMnBi2, a canted antiferromagnet, has a large ANE conductivity of ~10 A m-1 K-1 that surpasses large values observed in other ferromagnets (3-5 A m-1 K-1). The canted spin structure of Mn guarantees a non-zero Berry curvature, but generates only a weak magnetization three orders of magnitude lower than that of general ferromagnets. The heavy Bi with a large spin-orbit coupling enables a large ANE and low thermal conductivity, whereas its highly dispersive px/y orbitals ensure low resistivity. The high anomalous transverse thermoelectric performance and extremely small magnetization make YbMnBi2 an excellent candidate for transverse thermoelectrics.

Topology and symmetry of circular photogalvanic effect in the chiral multifold semimetals: a review.

The circular photogalvanic effect (CPGE) is the only possible quantized signal in chiral Weyl and multifold semimetals with inversion and mirror symmetries broken. Here, we review CPGE in the chiral multifold semimetals in terms of classification of CPGE tensor, the quantization of CPGE fromk⋅peffective model and topological semimetal RhSi family. Firstly, we give complete symmetric analysis of CPGE tensors for all nonmagnetic point groups, and get a table classifying matrix of response tensors. Secondly, the CPGE becomes a quantized response in the noncentrosymmetric topological semimetals, and depends on the Chern number of multifold fermions. Based onk⋅peffective model with linear dispersion, detailed derivations about the quantization of CPGE are given. Finally, according toab initioanalysis for the quantized CPGE based on noninteracting electronic structures, we review previous reports and make new calculations for the chiral topological semimetals in RhSi family, which can be separated into two groups. The first group, including RhSi, PtAl and CoSi, can be the promising candidates to exhibit a quantized CPGE trace, while the second group includes PdGa, PtGa and RhSn without a quantization.

Quantum Oscillations in Ferromagnetic (Sb, V)2 Te3 Topological Insulator Thin Films.

An effective way of manipulating 2D surface states in magnetic topological insulators may open a new route for quantum technologies based on the quantum anomalous Hall effect. The doping-dependent evolution of the electronic band structure in the topological insulator Sb2- x Vx Te3 (0 ≤ x ≤ 0.102) thin films is studied by means of electrical transport. Sb2- x Vx Te3 thin films were prepared by molecular beam epitaxy, and Shubnikov-de Hass (SdH) oscillations are observed in both the longitudinal and transverse transport channels. Doping with the 3d element, vanadium, induces long-range ferromagnetic order with enhanced SdH oscillation amplitudes. The doping effect is systematically studied in various films depending on thickness and bottom gate voltage. The angle-dependence of the SdH oscillations reveals their 2D nature, linking them to topological surface states as their origin. Furthermore, it is shown that vanadium doping can efficiently modify the band structure. The tunability by doping and the coexistence of the surface states with ferromagnetism render Sb2- x Vx Te3 thin films a promising platform for energy band engineering. In this way, topological quantum states may be manipulated to crossover from quantum Hall effect to quantum anomalous Hall effect, which opens an alternative route for the design of quantum electronics and spintronics.

A Raman probe of phonons and electron-phonon interactions in the Weyl semimetal NbIrTe4.

There is tremendous interest in measuring the strong electron-phonon interactions seen in topological Weyl semimetals. The semimetal NbIrTe4 has been proposed to be a Type-II Weyl semimetal with 8 pairs of opposite Chirality Weyl nodes which are very close to the Fermi energy. We show using polarized angular-resolved micro-Raman scattering at two excitation energies that we can extract the phonon mode dependence of the Raman tensor elements from the shape of the scattering efficiency versus angle. This van der Waals semimetal with broken inversion symmetry and 24 atoms per unit cell has 69 possible phonon modes of which we measure 19 modes with frequencies and symmetries consistent with Density Functional Theory calculations. We show that these tensor elements vary substantially in a small energy range which reflects a strong variation of the electron-phonon coupling for these modes.

2D-Berry-Curvature-Driven Large Anomalous Hall Effect in Layered Topological Nodal-Line MnAlGe.

Topological magnets comprising 2D magnetic layers with Curie temperatures (TC ) exceeding room temperature are key for dissipationless quantum transport devices. However, the identification of a material with 2D ferromagnetic planes that exhibits an out-of-plane-magnetization remains a challenge. This study reports a ferromagnetic, topological, nodal-line, and semimetal MnAlGe composed of square-net Mn layers that are separated by nonmagnetic Al-Ge spacers. The 2D ferromagnetic Mn layers exhibit an out-of-plane magnetization below TC  ≈ 503 K. Density functional calculations demonstrate that 2D arrays of Mn atoms control the electrical, magnetic, and therefore topological properties in MnAlGe. The unique 2D distribution of the Berry curvature resembles the 2D Fermi surface of the bands that form the topological nodal line near the Fermi energy. A large anomalous Hall conductivity of ≈700 S cm-1 is obtained at 2 K and related to this nodal-line-induced 2D Berry curvature distribution. The high transition temperature, large anisotropic out-of-plane magnetism, and natural heterostructure-type atomic arrangements consisting of magnetic Mn and nonmagnetic Al/Ge elements render nodal-line MnAlGe one of the few, unique, and layered topological ferromagnets that have ever been observed.

Thermoelectric Properties of Novel Semimetals: A Case Study of YbMnSb2.

The emerging class of topological materials provides a platform to engineer exotic electronic structures for a variety of applications. As complex band structures and Fermi surfaces can directly benefit thermoelectric performance it is important to identify the role of featured topological bands in thermoelectrics particularly when there are coexisting classic regular bands. In this work, the contribution of Dirac bands to thermoelectric performance and their ability to concurrently achieve large thermopower and low resistivity in novel semimetals is investigated. By examining the YbMnSb2 nodal line semimetal as an example, the Dirac bands appear to provide a low resistivity along the direction in which they are highly dispersive. Moreover, because of the regular-band-provided density of states, a large Seebeck coefficient over 160 µV K-1 at 300 K is achieved in both directions, which is very high for a semimetal with high carrier concentration. The combined highly dispersive Dirac and regular bands lead to ten times increase in power factor, reaching a value of 2.1 mW m-1 K-2 at 300 K. The present work highlights the potential of such novel semimetals for unusual electronic transport properties and guides strategies towards high thermoelectric performance.

Quasi-1D Topological Nodal Vortex Line Phase in Doped Superconducting 3D Dirac Semimetals.

We study vortex bound states in three-dimensional (3D) superconducting Dirac semimetals with time reversal symmetry. We find that there exist robust gapless vortex bound states propagating along the vortex line in the s-wave superconducting state. We refer to this newly found phase as the quasi-1D nodal vortex line phase. According to the Altland-Zirnbauer classification, the phase is characterized by a topological index (ν;N) at k_{z}=0 and k_{z}=π, where ν is the Z_{2} topological invariant for a 0D class-D system and N is the Z topological invariant for a 0D class-A system. Furthermore, we show that the vortex end Majorana zero mode can coexist with the quasi-1D nodal phase in certain types of Dirac semimetals. The possible experimental observations and material realization of such nodal vortex line states are discussed.

Anomalous Dome-like Superconductivity in RE2(Cu1-xNix)5As3O2 (RE = La, Pr, Nd).

A significant manifestation of interplay of superconductivity and charge density wave, spin density wave, or magnetism is a dome-like superconducting critical temperature (Tc) in cuprate, iron-based, and heavy Fermion superconductors. Pesudogap, quantum critical point, and strange metals emerge in different doping ranges. Exploring dome-like Tc in new superconductors is of interest to detect emergent effects. Here we report the superconductivity in a new layered Cu-based compound RE2Cu5As3O2 (RE = La, Pr, Nd), in which the Tc exhibits dome-like variation with a maximum Tc of 2.5, 1.2, and 1.0 K with substitution of Cu by large amount of Ni ions. Simultaneously, the structural parameters like As-As bond length and c/a ratio exhibit unusual variations as the Ni-doping level goes through the optimal value. The robustness of superconductivity, up to 60% of Ni doping, reveals the unexpected impurity effect on inducing and enhancing superconductivity in these novel layered materials.

Dirac semimetal in ß-CuI without surface Fermi arcs.

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 ß-cuprous iodide (ß-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 from the small energy difference between the surface and bulk Dirac points. The cubic term in ß-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.

A possible family of Ni-based high temperature superconductors.

We suggest that a family of Ni-based compounds, which contain [Ni2M2O]2- (M = chalcogen) layers with an antiperovskite structure constructed by mixed-anion Ni complexes, NiM4O2, can be potential high temperature superconductors (high-Tc) upon doping or applying pressure. The layer structures have been formed in many other transitional metal compounds such as La2B2Se2O3 (B = Mn, Fe, Co). For the Ni-based compounds, we predict that the parental compounds host collinear antiferromagnetic states similar to those in iron-based high temperature superconductors. The electronic physics near Fermi energy is controlled by two egd-orbitals with completely independent in-plane kinematics. We predict that the superconductivity in this family is characterized by strong competition between extended s-wave and d-wave pairing symmetries.

Predicting diamond-like Co-based chalcogenides as unconventional high temperature superconductors.

We predict Co-based chalcogenides with a diamond-like structure can host unconventional high temperature superconductivity (high-Tc). The essential electronic physics in these materials stems from the Co layers with each layer being formed by vertex-shared CoA4 (A=S, Se, Te) tetrahedra complexes, a material genome proposed recently by us to host potential unconventional high-Tc close to a d7 filling configuration in 3d transition metal compounds. We calculate the magnetic ground states of different transition metal compounds with this structure. It is found that (Mn, Fe, Co)-based compounds all have a G-type antiferromagnetic (AFM) insulating ground state while Ni-based compounds are paramagnetic metal. The AFM interaction is the largest in the Co-based compounds as the three t2g orbitals all strongly participate in AFM superexchange interactions. The abrupt quenching of the magnetism from the Co to Ni-based compounds is very similar to those from Fe to Co-based pnictides in which a C-type AFM state appears in the Fe-based ones but vanishes in the Co-based ones. This behavior can be considered as an electronic signature of the high-Tc gene. Upon doping, as we predicted before, this family of Co-based compounds favor a strong d-wave pairing superconducting state.

Electronic physics and possible superconductivity in layered orthorhombic cobalt oxychalcogenides.

We suggest that cobalt-oxychalcogenide layers constructed by vertex sharing CoA2O2 (A=S, Se, Te) tetrahedra, such as BaCoAO, are strongly correlated multi-orbitals 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 D4h symmetry classification. 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 mainly attributed to the three t2g 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.

A possible new family of unconventional high temperature superconductors.

We suggest a new family of Co/Ni-based materials that may host unconventional high temperature superconductivity (high-Tc). These materials carry layered square lattices with each layer being formed by vertex-shared transition metal tetrahedra cation-anion complexes. The electronic physics in these materials is determined by the two dimensional layer and is fully attributed to the three near degenerated t2gd-orbitals close to a d7 filling configuration in the d-shell of Co/Ni atoms. The electronic structure meets the necessary criteria for unconventional high Tc materials proposed recently by us to unify the two known high-Tc families, cuprates and iron-based superconductors. We predict that they host superconducting states with a d-wave pairing symmetry with Tc potentially higher than those of iron-based superconductors. These materials, if realized, can be a fertile new ground to study strongly correlated electronic physics and provide decisive evidence for superconducting pairing mechanism.

Robust antiferromagnetism preventing superconductivity in pressurized (Ba 0.61 K 0.39)Mn2Bi2.

BaMn2Bi2 possesses an iso-structure of iron pnictide superconductors and similar antiferromagnetic (AFM) ground state to that of cuprates, therefore, it receives much more attention on its properties and is expected to be the parent compound of a new family of superconductors. When doped with potassium (K), BaMn2Bi2 undergoes a transition from an AFM insulator to an AFM metal. Consequently, it is of great interest to suppress the AFM order in the K-doped BaMn2Bi2 with the aim of exploring the potential superconductivity. Here, we report that external pressure up to 35.6 GPa cannot suppress the AFM order in the K-doped BaMn2Bi2 to develop superconductivity in the temperature range of 300 K-1.5 K, but induces a tetragonal (T) to an orthorhombic (OR) phase transition at ~20 GPa. Theoretical calculations for the T and OR phases, on basis of our high-pressure XRD data, indicate that the AFM order is robust in the pressurized Ba0.61K0.39Mn2Bi2. Both of our experimental and theoretical results suggest that the robust AFM order essentially prevents the emergence of superconductivity.