arXiv subjects

Jianzhou Zhao

Publications and source records attributed to Jianzhou Zhao.

At least 37 records · Page 2Linked to original sources

arXiv2022

Berry connection polarizability tensor and third-order Hall effect

One big achievement in modern condensed matter physics is the recognition of the importance of various band geometric quantities in physical effects. As prominent examples, Berry curvature and the Berry curvature dipole are connected to the linear and the second-order Hall effects, respectively. Here, we show that the Berry connection polarizability (BCP) tensor, as another intrinsic band geometric quantity, plays a key role in the third-order Hall effect. Based on the extended semiclassical formalism, we develop a theory for the third-order charge transport and derive explicit formulas for the third-order conductivity. Our theory is applied to the two-dimensional (2D) Dirac model to investigate the essential features of the BCP and the third-order Hall response. We further demonstrate the combination of our theory with the first-principles calculations to study a concrete material system, the monolayer FeSe. Our work establishes a foundation for the study of third-order transport effects, and reveals the third-order Hall effect as a tool for characterizing a large class of materials and for probing the BCP in band structure.

cond-mat.mes-hall↗

arXiv2021

Phononic real Chern insulator with protected corner modes in graphynes

Higher-order topological insulators have attracted great research interest recently. Different from conventional topological insulators, higher-order topological insulators do not necessarily require spin-orbit coupling, which makes it possible to realize them in spinless systems. Here, we study phonons in 2D graphyne family materials. By using first-principle calculations and topology/symmetry analysis, we find that phonons in both graphdiyne and $γ$-graphyne exhibit a second-order topology, which belongs to the specific case known as real Chern insulator. We identify the nontrivial phononic band gaps, which are characterized by nontrivial real Chern numbers enabled by the spacetime inversion symmetry. The protected phonon corner modes are verified by the calculation on a finite-size nanodisk. Our study extends the scope of higher-order topology to phonons in real materials. The spatially localized phonon modes could be useful for novel phononic applications.

cond-mat.mtrl-sci↗

arXiv2021

Intrinsic Second-Order Anomalous Hall Effect and Its Application in Compensated Antiferromagnets

Response properties that are purely intrinsic to physical systems are of paramount importance in physics research, as they probe fundamental properties of band structures and allow quantitative calculation and comparison with experiment. For anomalous Hall transport in magnets, an intrinsic effect can appear at the second order to the applied electric field. We show that this intrinsic second-order anomalous Hall effect is associated with an intrinsic band geometric property -- the dipole moment of Berry-connection polarizability (BCP) in momentum space. The effect has scaling relation and symmetry constraints that are distinct from the previously studied extrinsic contributions. Particularly, in antiferromagnets with $\mathcal{PT}$ symmetry, the intrinsic effect dominates. Combined with first-principles calculations, we demonstrate the first quantitative evaluation of the effect in the antiferromagnet Mn$_{2}$Au. We show that the BCP dipole and the resulting intrinsic second-order conductivity are pronounced around band near degeneracies. Importantly, the intrinsic response exhibits sensitive dependence on the Néel vector orientation with a $2π$ periodicity, which offers a new route for electric detection of the magnetic order in $\mathcal{PT}$-invariant antiferromagnets.

cond-mat.mes-hall↗

arXiv2021

Symmetry-Enforced Nodal Chain Phonons

Topological phonons in crystalline materials have been attracting great interest. However, most cases studied so far are direct generalizations of the topological states from electronic systems. Here, we reveal a novel class of topological phonons -- the symmetry-enforced nodal-chain phonons, which manifest features unique for phononic systems. We show that with $D_{2d}$ little co-group at a non-time-reversal-invariant-momentum point, the phononic nodal chain is guaranteed to exist owing to the vector basis symmetry of phonons, which is a unique character distinct from electronic and other systems. Combined with the spinless character, this makes the proposed nodal-chain phonons enforced by symmorphic crystal symmetries. We further screen all 230 space groups, and find five candidate groups. Interestingly, the nodal chains in these five groups exhibit two different patterns: for tetragonal systems, they are one-dimensional along the fourfold axis; for cubic systems, they form a three-dimensional network structure. Based on first-principles calculations, we identify K$_{2}$O as a realistic material hosting almost ideal nodal-chain phonons. We show that the effect of LO-TO splitting, another unique feature for phonons, helps to expose the nodal-chain phonons in K$_{2}$O in a large energy window. In addition, all the five candidate groups have spacetime inversion symmetry, so the nodal chains also feature a quantized $π$ Berry phase. This leads to drumhead surface phonon modes that must exist on multiple surfaces of a sample.

cond-mat.mtrl-sci↗

arXiv2021

Electronic correlations in the normal state of kagome superconductor KV$_3$Sb$_5$

Recently, intensive studies have revealed fascinating physics, such as charge density wave and superconducting states, in the newly synthesized kagome-lattice materials $A$V$_3$Sb$_5$ ($A$=K, Rb, Cs). Despite the rapid progress, fundamental aspects like the magnetic properties and electronic correlations in these materials have not been clearly understood yet. Here, based on the density functional theory plus the single-site dynamical mean-field theory calculations, we investigate the correlated electronic structure and the magnetic properties of the KV$_3$Sb$_5$ family materials in the normal state. We show that these materials are good metals with weak local correlations. The obtained Pauli-like paramagnetism and the absence of local moments are consistent with recent experiment. We reveal that the band crossings around the Fermi level form three groups of nodal lines protected by the spacetime inversion symmetry, each carrying a quantized $π$ Berry phase. Our result suggests that the local correlation strength in these materials appears to be too weak to generate unconventional superconductivity, and non-local electronic correlation might be crucial in this kagome system.

cond-mat.str-el↗

arXiv2020

Two-dimensional CoSe structures: Intrinsic magnetism, strain-tunable anisotropic valleys, magnetic Weyl point, and antiferromagnetic metal state

The interplay between magnetism, band topology, and electronic correlation in low dimensions has been a fascinating subject of research. Here, we propose two-dimensional (2D) material systems which demonstrate such an interesting interplay. Based on first-principles calculations and structural search algorithms, we identify three lowest energy 2D CoSe structures, termed as the $α$-, $β$-, and $γ$-CoSe. {We show that $α$- and $β$-CoSe are two rare examples of 2D antiferromagnetic metals, which are related to their Fermi surfaces nesting features, and meanwhile, $γ$-CoSe is a ferromagnetic metal. They possess a range of interesting physical properties, including anisotropic valleys connected by crystalline symmetries, strain-tunable valley polarization, strain-induced metal-semiconductor and/or magnetic phase transitions, as well as topological band features such as the magnetic Weyl point and the magnetic Weyl loop. Remarkably, all the topological features here are robust against spin-orbit coupling.} Some experimental aspects of our predictions have been discussed.

cond-mat.mtrl-sci↗

arXiv2020

Electronic Correlations and Absence of Superconductivity in the Collapsed Phase of LaFe$_2$As$_2$

The interplay between structural phase and electronic correlations has been an intriguing topic of research. An prominent example is the pressure-induced uncollapsed to collapsed tetragonal phase transition observed in CaFe$_2$As$_2$, which is accompanied with the emergence of superconductivity in the collapsed phase. Recently, a very similar structural phase transition was discovered in LaFe$_2$As$_2$, but in contrast to CaFe$_2$As$_2$, superconductivity was only observed in the uncollapsed phase, not the collapsed phase. Previous studies have attributed this puzzling observation to the differences in the two materials' band coherence, orbital occupation, and Fermi surface topology. Here, we present a comparative study of LaFe$_2$As$_2$ and CaFe$_2$As$_2$ using the DFT+DMFT method. Surprisingly, we find that although La appears to have a valence higher than Ca, the doped one electron actually primarily resides on the La site. This leads to almost the same total Fe-$3d$ occupancy and electronic correlation strength as well as similar Lifshiftz transition in the Fermi surface topology for the two materials. In addition, we show that the two materials in both structural phases belong to the category of Hund's metals. Our results indicate that the electronic structures of LaFe$_2$As$_2$ and CaFe$_2$As$_2$ are not too different, which further suggest that superconductivity might also be induced in the collapsed phase of LaFe$_2$As$_2$ under similar non-hydrostatic conditions as for CaFe$_2$As$_2$.

cond-mat.str-el↗

arXiv2020

Highly anisotropic two-dimensional metal in monolayer MoOCl$_2$

Anisotropy is a general feature in materials. Strong anisotropy could lead to interesting physical properties and useful applications. Here, based on first-principles calculations and theoretical analysis, we predict a stable two-dimensional (2D) material---the monolayer MoOCl$_2$, and show that it possesses intriguing properties related to its high anisotropy. Monolayer MoOCl$_2$ can be readily exfoliated from the van der Waals layered bulk, which has already been synthesized. We show that a high in-plane anisotropy manifests in the structural, phononic, mechanical, electronic, and optical properties of monolayer MoOCl$_2$. The material is a metal with highly anisotropic Fermi surfaces, giving rise to open orbits at the Fermi level, which can be probed in magneto-transport. Remarkably, the combination of high anisotropy and metallic character makes monolayer MoOCl$_2$ an almost ideal hyperbolic material. It has two very wide hyperbolic frequency windows from 0.41 eV (99 THz) to 2.90 eV (701 THz), and from 3.63 eV (878 THz) to 5.54 eV (1340 THz). The former window has a large overlap with the visible spectrum, and the dissipation for most part of this window is very small. The window can be further tuned by the applied strain, such that at a chosen frequency, a transition between elliptic and hyperbolic character can be induced by strain. Our work discovers a highly anisotropic 2D metal with extraordinary properties, which holds great potential for electronic and optical applications.

cond-mat.mtrl-sci↗

arXiv2020

Electronic correlations and flattened band in magnetic Weyl semimetal candidate Co3Sn2S2

The interplay between electronic correlations and topological protection may offer a rich avenue for discovering emergent quantum phenomena in condensed matter. However, electronic correlations have so far been little investigated in Weyl semimetals (WSMs) by experiments. Here, we report a combined optical spectroscopy and theoretical calculation study on the strength of electronic correlations in a kagome magnet Co3Sn2S2 and the influence of electronic correlations on its WSM state expected within a single-particle picture. The electronic kinetic energy estimated from our optical data is about half of that obtained from single-particle ab initio calculations, which indicates intermediate-strength electronic correlations in this system. Furthermore, comparing the energy ratios between the interband-transition peaks at high energies in the experimental and single-particle-ab-initio-calculation derived optical conductivity spectra with the electronic bandwidth renormalization factors obtained by many-body calculations enables us to estimate the Coulomb-interaction strength (U ~ 4 eV) of electronic correlations in Co3Sn2S2. Our many-body calculations with U ~ 4 eV show that a WSM state, which is characterized by bulk Weyl cones and surface Fermi arcs, survives in this correlated electron system. Besides, a sharp experimental optical conductivity peak at low energy, which is absent in the single-particle-ab-initio-calculation-derived optical conductivity spectrum but is consistent with the optical conductivity peaks obtained by many-body calculations, indicates that an electronic band connecting the two Weyl cones is flattened by electronic correlations and emerges near the Fermi energy in Co3Sn2S2. Our work paves the way for exploring flat-band-generated quantum phenomena in WSMs.

cond-mat.mtrl-sci↗

arXiv2020

Thermoelectric Generation of Orbital Magnetization in Metals

We propose an orbital magnetothermal effect wherein a temperature gradient generates an orbital magnetization (OM) for Bloch electrons, and we present a unified theory for electrically and thermally induced OM, valid for both metals and insulators. We reveal that there exists an intrinsic response of OM, for which the susceptibilities are completely determined by the band geometric quantities such as interband Berry connections, interband orbital moments, and the quantum metric. The theory can be readily combined with first-principles calculations to study real materials. As an example, we calculate the OM response in CrI$_{3}$ bilayers, where the intrinsic contribution dominates. The temperature scaling of intrinsic and extrinsic responses, the effect of phonon drag, and the phonon angular momentum contribution to OM are discussed.

cond-mat.mes-hall↗

arXiv2020

Nonsymmorphic nodal-line metals in the two-dimensional rare earth monochalcogenides MX (M = Sc, Y; X = S, Se, Te)

We predict a new family of two-dimensional (2D) rare earth monochalcogenide materials MX (M = Sc, Y; X = S, Se, Te). Based on first-principles calculations, we confirm their stability and systematically investigate their mechanical properties. We find that these materials are metallic and interestingly, they possess nodal lines in the low-energy band structure surrounding the whole Brillouin zone, protected by nonsymmorphic crystal symmetries in the absence of spin-orbit coupling (SOC). SOC opens small energy gaps at the nodal line, except for two high-symmetry points, at which fourfold degenerate 2D spin-orbit Dirac points are obtained. We show that these topological band features are robust under uniaxial and biaxial strains, but can be lifted by the shear strain. We also investigate the optical conductivities of these materials, and show that the transformation of the band structure under strain can be inferred from the optical absorption spectrum. Our work reveals a new family of 2D topological metal materials with interesting mechanical and electronic properties, which will facilitate the study of nonsymmorphic symmetry enabled nodal features in 2D.

cond-mat.mtrl-sci↗

arXiv2020

Fermi liquid behavior and colossal magnetoresistance in layered MoOCl2

A characteristic of a Fermi liquid is the T^2 dependence of its resistivity, sometimes referred to as the Baber law. However, for most metals, this behavior is only restricted to very low temperatures, usually below 20 K. Here, we experimentally demonstrate that for the single-crystal van der Waals layered material MoOCl2, the Baber law holds in a wide temperature range up to ~120 K, indicating that the electron-electron scattering plays a dominant role in this material. Combining with the specific heat measurement, we find that the modified Kadowaki-Woods ratio of the material agrees well with many other strongly correlated metals. Furthermore, in the magneto-transport measurement, a colossal magneto-resistance is observed, which reaches ~350% at 9 T and displays no sign of saturation. With the help of first-principles calculations, we attribute this behavior to the presence of open orbits on the Fermi surface. We also suggest that the dominance of electron-electron scattering is related to an incipient charge density wave state of the material. Our results establish MoOCl2 as a strongly correlated metal and shed light on the underlying physical mechanism, which may open a new path for exploring the effects of electron-electron interaction in van der Waals layered structures.

cond-mat.mtrl-sci↗

arXiv2019

Mott phase in a van der Waals transition-metal halide at single layer limit

Two-dimensional materials offer opportunities for unravelling unprecedented ordered states at single layer limit. Among such ordered states, Mott phase is rarely explored. Here, we report the Mott phase in van der Waals chromium (II) iodide (CrI2) films. High quality CrI2 films with atomically flat surface and macro size are grown on graphitized 6H-SiC(0001) substrate by molecular beam epitaxy. By in situ low temperature scanning tunneling microscopy and spectroscopy (STM/STS), we reveal that the film has a band gap as large as ~3.2 eV, which is nearly thickness independent. Density functional plus dynamic mean field theory calculations suggest that CrI2 films may be a strong Mott insulator with a ferromagnetically ordered ground state. The Mott phase is corroborated by the spectral band splitting, that is consistent with the extended Hubbard model, and gap reduction at charge dopants. Our study provides a platform for studying correlated electron states at single layer limit.

cond-mat.mes-hall↗

arXiv2018

Large Fermi-arc and robust Weyl semimetal phase in Ag$_2$S

Three-dimensional Dirac and Weyl semimetals have attracted widespread interest in condensed matter physics and material science. Here, based on first-principles calculations and symmetry analysis, we report that Ag$_2$S with P2$_1$2$_1$2$_1$ symmetry is a topological Dirac semimetal in the absence of spin-orbit coupling (SOC). Every Dirac points are composed of two Weyl points with the same chirality overlapping in the momentum space. After taking the SOC into consideration, each Dirac point is split into two Weyl points. The Weyl points with the opposite chirality are far from each other in the momentum space. Therefore, the Weyl pairs are not easy to annihilate and robust in the Ag$_2$S compound, which also lead to long Fermi-arcs on material surface. The robustness of the Weyl points against the strain is discussed.

cond-mat.mtrl-sci↗

arXiv2015

Topological Node-Line Semimetal in Compressed Black Phosphorus

Based on first-principles calculations and tight-binding model analysis, we propose that black phosphorus (BP) can host a three-dimensional topological node-line semimetal state under pressure when spin-orbit coupling (SOC) is ignored. A closed topological node line exists in the first Brillouin zone (BZ) near the Fermi energy, which is protected by the coexistence of time-reversal and spatial inversion symmetry with band inversion driven by pressure. Drumhead-like surface states have been obtained on the beard (100) surface. Due to the weak intrinsic SOC of phosphorus atom, a band gap less than 10 meV is opened along the node line in the presence of SOC and the surface states are almost unaffected by SOC.

cond-mat.mtrl-sci↗

arXiv2015

Identification of Topological Surface State in PdTe2 Superconductor by Angle-Resolved Photoemission Spectroscopy

High resolution angle-resolved photoemission measurements have been carried out on transition metal dichalcogenide PdTe2 that is a superconductor with a Tc at 1.7 K. Combined with theoretical calculations, we have discovered for the first time the existence of topologically nontrivial surface state with Dirac cone in PbTe2 superconductor. It is located at the Brillouin zone center and possesses helical spin texture. Distinct from the usual three-dimensional topological insulators where the Dirac cone of the surface state lies at the Fermi level, the Dirac point of the surface state in PdTe2 lies deep below the Fermi level at ~1.75 eV binding energy and is well separated from the bulk states. The identification of topological surface state in PdTe2 superconductor deep below the Fermi level provides a unique system to explore for new phenomena and properties and opens a door for finding new topological materials in transition metal chalcogenides.

cond-mat.supr-con↗

arXiv2015

Electronic Structure of Transition Metal Dichalcogenides PdTe2 and Cu0.05PdTe2 Superconductors Obtained by Angle-Resolved Photoemission Spectroscopy

The layered transition metal chalcogenides have been a fertile land in solid state physics for many decades. Various MX2-type transition metal dichalcogenides, such as WTe2, IrTe2, and MoS2, have triggered great attention recently, either for the discovery of novel phenomena or some extreme or exotic physical properties, or for their potential applications. PdTe2 is a superconductor in the class of transition metal dichalcogenides, and superconductivity is enhanced in its Cu-intercalated form, Cu0.05PdTe2. It is important to study the electronic structures of PdTe2 and its intercalated form in order to explore for new phenomena and physical properties and understand the related superconductivity enhancement mechanism. Here we report systematic high resolution angle-resolved photoemission (ARPES) studies on PdTe2 and Cu0.05$PdTe2 single crystals, combined with the band structure calculations. We present for the first time in detail the complex multi-band Fermi surface topology and densely-arranged band structure of these compounds. By carefully examining the electronic structures of the two systems, we find that Cu-intercalation in PdTe2 results in electron-doping, which causes the band structure to shift downwards by nearly 16 meV in Cu0.05PdTe2. Our results lay a foundation for further exploration and investigation on PdTe2 and related superconductors.

cond-mat.supr-con↗

arXiv2015

Anomalous High-Energy Waterfall-Like Electronic Structure in 5d Transition Metal Oxide Sr2IrO4 with a Strong Spin-Orbit Coupling

The layered 5d transition metal oxides like Sr2IrO4 have attracted significant interest recently due to a number of exotic and new phenomena induced by the interplay between the spin-orbit coupling, bandwidth W and on-site Coulomb correlation U. In contrast to a metallic behavior expected from the Mott-Hubbard model due to more spatially extended 5d orbitals and moderate U, an insulating ground state has been observed in Sr2IrO4. Such an insulating behavior can be understood by an effective J_eff=1/2 Mott insulator model by incorporating both electron correlation and strong spin-orbital coupling, although its validity remains under debate at present. In particular, Sr2IrO4 exhibits a number of similarities to the high temperature cuprate superconductors in the crystal structure, electronic structure, magnetic structure, and even possible high temperature superconductivity. Here we report a new observation of the anomalous high energy electronic structure in Sr2IrO4. By taking high-resolution angle-resolved photoemission measurements on Sr2IrO4 over a wide energy range, we have revealed that the high energy electronic structures show unusual nearly-vertical bands that extend over a large energy range. Such anomalous high energy behaviors resemble the high energy waterfall features observed in the cuprate superconductors, adding one more important similarity between these two systems. While strong electron correlation plays an important role in producing high energy waterfall features in the cuprate superconductors, the revelation of the high energy anomalies in Sr2IrO4 points to a novel route in generating exotic electronic excitations from the strong spin-orbit coupling and a moderate electron correlation.

cond-mat.str-el↗