arXiv subjects

Hengxin Tan

Publications and source records attributed to Hengxin Tan.

70 records · Page 4Linked to original sources

arXiv2022

Momentum-inversion symmetry breaking on the Fermi surface of magnetic topological insulators

Magnetic topological insulators (MnBi$_2$Te$_4$)(Bi$_2$Te$_3$)$_n$ were anticipated to exhibit magnetic energy gaps while recent spectroscopic studies did not observe them. Thus, magnetism on the surface is under debate. In this work, we propose another symmetry criterion to probe the surface magnetism. Because of both time-reversal symmetry-breaking and inversion symmetry-breaking, we demonstrate that the surface band structure violates momentum-inversion symmetry and leads to a three-fold rather than six-fold rotational symmetry on the Fermi surface if corresponding surface states couple strongly to the surface magnetism. Such a momentum-inversion symmetry violation is significant along the $Γ-K$ direction for surface bands on the (0001) plane.

cond-mat.mtrl-sci↗

arXiv2022

Charge density wave order in kagome metal AV$_3$Sb$_5$ (A= Cs, Rb, K)

We employ polarization-resolved electronic Raman spectroscopy and density functional theory to study the primary and secondary order parameters, as well as their interplay, in the charge density wave (CDW) state of the kagome metal AV3Sb5. Previous x-ray diffraction data at 15K established that the CDW order in CsV3Sb5 comprises of a 2x2x4 structure: one layer of inverse-star-of-David and three consecutive layers of star-of-David pattern. We analyze the lattice distortions based the 2x2x4 structure at 15K, and find that U lattice distortion is the primary order parameter while M and L distortions are secondary order parameters for Vanadium displacements. This conclusion is confirmed by the calculation of bare susceptibility that shows a broad peak at around qz=0.25 along the hexagonal Brillouin zone face central line (U-line). We also identify several phonon modes emerging in the CDW state, which are lattice vibration modes related to V and Sb atoms as well as alkali atoms. The detailed temperature evolution of these modes' frequencies, HWHM, and integrated intensities support a phase diagram with two successive structural phase transitions in CsV3Sb5: the first one with a primary order parameter appearing at TS=94K and the second isostructural one appearing at around 70K.

cond-mat.str-el↗

arXiv2022

Observation of anomalous amplitude modes in the kagome metal CsV$_3$Sb$_5$

The charge-density wave (CDW) phase is often accompanied by the condensation of a soft acoustic phonon mode, giving rise to lattice distortion and charge density modulation. This picture was challenged for the recently discovered kagome metal CsV$_3$Sb$_5$, based on the evidence of absence of soft phonons. Here we report the observation of Raman-active CDW amplitude modes in this material, which are collective excitations typically thought to emerge out of frozen soft phonons. The amplitude modes strongly hybridize with other superlattice modes, imparting them with clear temperature-dependent frequency shift and broadening, rarely seen in other known CDW materials. Both the mode mixing and the large amplitude mode frequencies suggest that the CDW exhibits the character of strong electron-phonon coupling, a regime in which acoustic phonon softening can cease to exist. The observation of amplitude modes in the absence of soft phonons highlights the unconventional nature of the CDW in CsV$_3$Sb$_5$.

cond-mat.mtrl-sci↗

arXiv2022

Facet dependent surface energy gap on magnetic topological insulators

Magnetic topological insulators (MnBi$_2$Te$_4$)(Bi$_2$Te$_3$)$_n$ ($n=0,1,2,3$) are promising to realize exotic topological states such as the quantum anomalous Hall effect (QAHE) and axion insulator (AI), where the Bi$_2$Te$_3$ layer introduces versatility to engineer electronic and magnetic properties. However, whether surface states on the Bi$_2$Te$_3$ terminated facet are gapless or gapped is debated, and its consequences in thin-film properties are rarely discussed. In this work, we find that the Bi$_2$Te$_3$ terminated facets are gapless for $n \ge 1$ compounds by calculations. Despite that the surface Bi$_2$Te$_3$ (one layer or more) and underlying MnBi$_2$Te$_4$ layers hybridize and give rise to a gap, such a hybridization gap overlaps with bulk valence bands, leading to a gapless surface after all. Such a metallic surface poses a fundamental challenge to realize QAHE or AI, which requires an insulating gap in thin films with at least one Bi$_2$Te$_3$ surface. In theory, the insulating phase can still be realized in a film if both surfaces are MnBi$_2$Te$_4$ layers. Otherwise, it requires that the film thickness is less than 10$\sim$20 nm to push down bulk valence bands via the size effect. Our work paves the way to understand surface states and design bulk-insulating quantum devices in magnetic topological materials.

cond-mat.mtrl-sci↗

arXiv2021

Truly local topological dynamics of driven defects in Chern insulator

Robust zero modes supported by defects is one of the key features of topological matter. Its presence renders a system topologically inhomegeneuous, thus having no well-defined global topological invariant. The quantities labeling different areas of the sample according to their topological state were dubbed local topological markers. Here we study their dynamics and the possibility to control their distribution over the sample. We suggest a new perspective on the evolution of local markers. It gives a clear physical description of the markers evolution in terms of response functions and the ease of measurement. Furthermore, new markers' equations of motion are truly local, being ensured that the current of the marker exists and obeys the lattice continuity equation. The formalism presented does not rely on the single-particle quantities therefore might be extended to interacting systems.

cond-mat.stat-mech↗

arXiv2021

Higher-order, quantum magnetic inductions in chiral topological materials

The classic magnetic induction effect is usually considered in electric circuits or conductor coils. In this work, we propose quantum induction effects induced by the Berry curvature in homogenous solids. Two different types of quantum inductions are identified in the higher order of a magnetic field. They are closely related to the magnetic-field-induced anomalous velocity proportional to the Berry curvature so that both quantum inductions become significantly enhanced near Weyl points. Further, we propose an ac-magnetic-field measurement to detect quantum induction effects and distinguish them from classical induction.

cond-mat.mtrl-sci↗

arXiv2021

Roton pair density wave and unconventional strong-coupling superconductivity in a topological kagome metal

The transition-metal kagome lattice materials host frustrated, correlated, and topological quantum states of matter. Recently, a new family of vanadium-based kagome metals AV3Sb5 (A=K, Rb, and Cs) with topological band structures has been discovered. These layered compounds are nonmagnetic and undergo charge density wave transitions before developing superconductivity at low temperatures. Here we report the observation of unconventional superconductivity and pair density wave (PDW) in CsV3Sb5 using scanning tunneling microscope/spectroscopy (STM/STS) and Josephson STS. We find that CsV3Sb5 exhibits a V-shaped pairing gap Δ~0.5 meV and is a strong-coupling superconductor (2Δ/kBTc~5) that coexists with 4a0 unidirectional and 2a0X2a0 charge order. Remarkably, we discover a 3Q PDW accompanied by bidirectional 4a0/3 spatial modulations of the superconducting gap, coherence peak and gap-depth in the tunneling conductance. We term this novel quantum state a roton-PDW associated with an underlying vortex-antivortex lattice that can account for the observed conductance modulations. Probing the electronic states in the vortex halo in an applied magnetic field, in strong-field that suppresses superconductivity, and in zero-field above Tc reveals that the PDW is a primary state responsible for an emergent pseudogap and intertwined electronic order. Our findings show striking analogies and distinctions to the phenomenology of high-Tc cuprate superconductors, and provide groundwork for understanding the microscopic origin of correlated electronic states and superconductivity in vanadium-based kagome metals.

cond-mat.supr-con↗

arXiv2021

Geometry of the charge density wave in kagom${é}$ metal AV$_{3}$Sb$_{5}$

Kagom${é}$ lattice is a fertile platform for topological and intertwined electronic excitations. Recently, experimental evidence of an unconventional charge density wave (CDW) is observed in a Z2 kagom${é}$ metal AV$_{3}$Sb$_{5}$ (A= K, Cs, Rb). This observation triggers wide interests on the interplay between frustrated crystal structure and Fermi surface instabilities. Here we analyze the lattice effect and its impact on CDW in AV$_{3}$Sb$_{5}$. Based on published experimental data, we show that the CDW induced structural distortions is consistent with the theoretically predicted inverse star-of-David pattern, which preserves the $D_{6h}$ symmetry in the kagom${é}$ plane but breaks the sixfold rotational symmetry of the crystal due to the phase shift between kagom${é}$ layers. The coupling between the lattice and electronic degrees of freedom yields a weak first order structural transition without continuous change of lattice dynamics. Our result emphasizes the fundamental role of lattice geometry in proper understanding of unconventional electronic orders in AV$_{3}$Sb$_{5}$.

cond-mat.str-el↗

arXiv2021

Charge density waves and electronic properties of superconducting kagome metals

Kagome metals $A$V$_3$Sb$_5$ ($A=$ K, Rb, and Cs) exhibit intriguing superconductivity below $0.9 \sim 2.5 $ K, a charge density wave (CDW) transition around $80\sim 100 $ K, and $\mathbb{Z}_{2}$ topological surface states. The nature of the CDW phase and its relation to superconductivity remains elusive. In this work, we investigate the electronic and structural properties of CDW by first-principles calculations. We reveal an inverse Star of David deformation as the $2\times2\times2$ CDW ground state of the kagome lattice. The kagome lattice shows softening breathing-phonon modes, indicating the structural instability. However, electrons play an essential role in the CDW transition via Fermi surface nesting and van Hove singularity. The inverse Star of David structure agrees with recent experiments by scanning tunneling microscopy (STM). The CDW phase inherits the nontrivial $\mathbb{Z}_{2}$-type topological band structure. Further, we find that the electron-phonon coupling is too weak to account for the superconductivity $T_c$ in all three materials. It implies the existence of unconventional pairing of these kagome metals. Our results provide essential knowledge toward understanding the superconductivity and topology in kagome metals.

cond-mat.supr-con↗

arXiv2021

Unconventional anomalous Hall effect from magnetization parallel to the electric field

In the anomalous Hall effect (AHE), the magnetization, electric field and the Hall current are presumed to be mutually vertical to each other. In this work, we propose an unconventional AHE where the magnetization, the electric field and Hall current stay inside the same plane. Such an AHE is odd under time-reversal and exists even when the magnetization is parallel to the electric field or Hall current, different from the planar Hall effect which is even under time-reversal. Here, we term it parallel anomalous Hall effect (PAHE). We reveal that the PAHE exists when all the point group rotational and reflection symmetries are broken where the Berry curvature field is not necessarily parallel to the magnetization axis. We further demonstrate the PAHE in a ferrimagnetic Weyl semimetal FeCr$_2$Te$_4$.

cond-mat.mtrl-sci↗

arXiv2021

Anomalous Hall effect in weak-itinerant ferrimagnet FeCr$_2$Te$_4$

We carried out a comprehensive study of electronic transport, thermal and thermodynamic properties in FeCr$_2$Te$_4$ single crystals. It exhibits bad-metallic behavior and anomalous Hall effect (AHE) below a weak-itinerant paramagentic-to-ferrimagnetic transition $T_c$ $\sim$ 123 K. The linear scaling between the anomalous Hall resistivity $ρ_{xy}$ and the longitudinal resistivity $ρ_{xx}$ implies that the AHE in FeCr$_2$Te$_4$ is most likely dominated by extrinsic skew-scattering mechanism rather than intrinsic KL or extrinsic side-jump mechanism, which is supported by our Berry phase calculations.

cond-mat.str-el↗

arXiv2019

Towards Weyltronics: Realization of epitaxial NbP and TaP Weyl Semimetal thin films

Weyl Semimetals (WSMs), a recently discovered topological state of matter, exhibit an electronic structure governed by linear band dispersions and degeneracy (Weyl) points leading to rich physical phenomena, which are yet to be exploited in thin film devices. While WSMs were established in the monopnictide compound family several years ago, the growth of thin films has remained a challenge. Here, we report the growth of epitaxial thin films of NbP and TaP by means of molecular beam epitaxy. Single crystalline films are grown on MgO (001) substrates using thin Nb (Ta) buffer layers, and are found to be tensile strained (1%) and with slightly P-rich stoichiometry with respect to the bulk crystals. The resulting electronic structure exhibits topological surface states characteristic of a P-terminated surface and linear dispersion bands in agreement with the calculated band structure, and a Fermi-level shift of -0.2 eV with respect to the Weyl points. Consequently, the electronic transport is dominated by both holes and electrons with carrier mobilities close to 10^3 cm2/Vs at room-temperature. The growth of epitaxial thin films opens up the use of strain and controlled doping to access and tune the electronic structure of Weyl Semimetals on demand, paving the way for the rational design and fabrication of electronic devices ruled by topology.

cond-mat.mes-hall↗

arXiv2019

Understanding the origin of bandgap problem in transition and post-transition metal oxides

Improving electronic structure calculations for practical and technologically-important materials has been a never-ending pursue. This is especially true for transition and post-transition metal oxides for which the current first-principles approaches still suffer various drawbacks. Here we present a hierarchical-hybrid functional approach built on the use of pseudopotentials. The key is to introduce a discontinuity in the exchange functional between core and valence electrons. It allows for treating the localization errors of sp and d electrons differently, which have been known to be an important source of error for the band gap. Using ZnO as a prototype, we show the approach is successful in simultaneously reproducing the band gap and d-band position. Remarkably, the same approach, without having to change the hybrid mixing parameters from those of Zn, works reasonably well for other binary 3d transition and post-transition metal oxides across board. Our findings point to a new direction of systematically improving the exchange functional in first-principles calculations.

cond-mat.mtrl-sci↗

arXiv2019

Two-dimensional ferromagnetic-ferroelectric multiferroics in violation of the d0 rule

Contribution of d-electron to ferroelectricity of type-II multiferroics causes strong magneto-electric coupling and distinguishes them from the conventional type-I multiferroics. However, their therein polarization is too small because the ferroelectricity is merely a derivative from the magnetic order. Here we report a new class of multiferroic materials, monolayer VOX2 (X = Cl, Br, and I), which combine the advantages of type-I and type-II multiferroics. Both ferroelectricity and magnetism arise from the same V cation, where the filled d-orbital is perpendicular to an a priori ferroelectric polarization and thus poses no hindrance to ferroelectricity, indicating a violation of the usual d0 rule. This makes the combination of large polarizations and strong magneto-electric coupling possible. Our findings not only add new ferromagnetic-ferroelectric multiferroics, but also point to a unique mechanism to engineer multiferroics.

cond-mat.mtrl-sci↗

arXiv2018

Effect of Hartree-Fock Pseudopotential on the First-principles Electronic Structure

Density functional theory (DFT) can run into serious difficulties with localized states in elements such as transition metals with occupied-d states and oxygen. In contrast, Hartree-Fock (HF) method can be a better approach for such localized states. Here, we develop HF pseudopotentials to be used alongside with DFT for solids. The computation cost is on par with standard DFT. Calculations for a range of II-VI, III-V and group-IV semiconductors with diverse physical properties show observably improved band gap for systems containing d-electrons, whereby pointing to a new direction in electronic theory.

cond-mat.mtrl-sci↗

arXiv2017

First-principles studies of the local structure and relaxor behavior of Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_3$-PbTiO$_3$-derived ferroelectric perovskite solid solutions

We have investigated the effect of transition metal dopants on the local structure of the prototypical 0.75 Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_3$-0.25 PbTiO$_3$ relaxor ferroelectric. We find that these dopants give rise to very different local structure and other physical properties. For example, when Mg is partially substituted by Cu or Zn, the displacement of Cu or Zn is much larger than that of Mg, and is even comparable to that of Nb. The polarization of these systems is also increased, especially for the Cu-doped solution, due to the large polarizability of Cu and Zn. As a result, the predicted maximum dielectric constant temperatures ($T_m$) are increased. On the other hand, the replacement of a Ti atom with a Mo or Tc dramatically decreases the displacements of the cations and the polarization, and thus, the $T_m$ values are also substantially decreased. The higher $T_m$ cannot be explained by the conventional argument based on the ionic radii of the cations. Furthermore, we find that Cu, Mo, or Tc doping increase the cations displacement disorder. The effect of the dopants on the temperature dispersion $ΔT_m$, which is the change of $T_m$ for different frequencies, is also discussed. Our findings lay the foundation for further investigations of unexplored dopants.

cond-mat.mtrl-sci↗