arXiv subjects

Zhong Fang

Publications and source records attributed to Zhong Fang.

At least 109 records · Page 6Linked to original sources

arXiv2015

Quantum anomalous Hall effect and related topological electronic states

Over a long period of exploration, the successful observation of quantized version of anomalous Hall effect (AHE) in thin film of magnetically-doped topological insulator completed a quantum Hall trio---quantum Hall effect (QHE), quantum spin Hall effect (QSHE), and quantum anomalous Hall effect (QAHE). On the theoretical front, it was understood that intrinsic AHE is related to Berry curvature and U(1) gauge field in momentum space. This understanding established connection between the QAHE and the topological properties of electronic structures characterized by the Chern number. With the time reversal symmetry broken by magnetization, a QAHE system carries dissipationless charge current at edges, similar to the QHE where an external magnetic field is necessary. The QAHE and corresponding Chern insulators are also closely related to other topological electronic states, such as topological insulators and topological semimetals, which have been extensively studied recently and have been known to exist in various compounds. First-principles electronic structure calculations play important roles not only for the understanding of fundamental physics in this field, but also towards the prediction and realization of realistic compounds. In this article, a theoretical review on the Berry phase mechanism and related topological electronic states in terms of various topological invariants will be given with focus on the QAHE and Chern insulators. We will introduce the Wilson loop method and the band inversion mechanism for the selection and design of topological materials, and discuss the predictive power of first-principles calculations. Finally, remaining issues, challenges and possible applications for future investigations in the field will be addressed.

cond-mat.mes-hall↗

arXiv2015

Evidence for Half-Metallicity in n-type HgCr2Se4

High quality HgCr$_2$Se$_4$ single crystals have been investigated by magnetization, electron transport and Andreev reflection spectroscopy. In the ferromagnetic ground state, the saturation magnetic moment of each unit cell corresponds to an integer number of electron spins (3 $μ_B$/Cr$^{3+}$), and the Hall effect measurements suggest n-type charge carriers. Spin polarizations as high as $97\%$ were obtained from fits of the differential conductance spectra of HgCr$_2$Se$_4$/Pb junctions with the modified Blonder-Tinkham-Klapwijk (BTK) theory. The temperature and bias-voltage dependencies of the sub-gap conductance are consistent with recent theoretical calculations based on spin active scatterings at a superconductor/half metal interface. Our results suggest that n-HgCr$_2$Se$_4$ is a half metal, in agreement with theoretical calculations that also predict undoped HgCr$_2$Se$_4$ is a magnetic Weyl semimetal.

cond-mat.mes-hall↗

arXiv2015

Large-Gap Two-Dimensional Topological Insulator in Oxygen Functionalized MXene

Two-dimensional (2D) topological insulator (TI) have been recognized as a new class of quantum state of matter. They are distinguished from normal 2D insulators with their nontrivial band-structure topology identified by the $Z_2$ number as protected by time-reversal symmetry (TRS). 2D TIs have intriguing spin-velocity locked conducting edge states and insulating properties in the bulk. In the edge states, the electrons with opposite spins propagate in opposite directions and the backscattering is fully prohibited when the TRS is conserved. This leads to quantized dissipationless "two-lane highway" for charge and spin transportation and promises potential applications. Up to now, only very few 2D systems have been discovered to possess this property. The lack of suitable material obstructs the further study and application. Here, by using first-principles calculations, we propose that the functionalized MXene with oxygen, M$_2$CO$_2$ (M=W, Mo and Cr), are 2D TIs with the largest gap of 0.194 eV in W case. They are dynamically stable and natively antioxidant. Most importantly, they are very likely to be easily synthesized by recent developed selective chemical etching of transition-metal carbides (MAX phase). This will pave the way to tremendous applications of 2D TIs, such as "ideal" conducting wire, multifunctional spintronic device, and the realization of topological superconductivity and Majorana modes for quantum computing.

cond-mat.mtrl-sci↗

arXiv2015

Breakdown of Three-dimensional Dirac Semimetal State in pressurized Cd3As2

We report the first observation of a pressure-induced breakdown of the 3D-DSM state in Cd3As2, evidenced by a series of in-situ high-pressure synchrotron X-ray diffraction (XRD) and single crystal transport measurements. We find that Cd3As2 undergoes a structural phase transition from a metallic tetragonal (T) phase in space group I41/acd to a semiconducting monoclinic (M) phase in space group P21/c at critical pressure 2.57 GPa, above this pressure, an activation energy gap appears, accompanied by distinct switches in Hall resistivity slope and electron mobility. These changes of crystal symmetry and corresponding transport properties manifest the breakdown of the 3D-DSM state in pressurized Cd3As2.

cond-mat.supr-con↗

arXiv2015

Topological nature of FeSe$_{0.5}$Te$_{0.5}$ superconductor

We demonstrate, using first-principles calculations, that the electronic structure of FeSe$_{1-x}$Te$_{x}$ ($x$=0.5) is topologically non-trivial, characterized by an odd $\mathbb Z_2$ invariant and Dirac cone type surface states, in sharp contrast to the end member FeSe ($x$=0). This topological state is induced by the enhanced three-dimensionality and spin-orbit coupling due to Te substitution (compared to FeSe), characterized by a band inversion at the $Z$ point of the Brillouin zone, which is confirmed by our ARPES measurements. The results suggest that the surface of FeSe$_{0.5}$Te$_{0.5}$ may support a non-trivial superconducting channel in proximity to the bulk.

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

Topological Node-Line Semimetal in Three Dimensional Graphene Networks

Graphene, a two dimensional (2D) carbon sheet, acquires many of its amazing properties from the Dirac point nature of its electronic structures with negligible spin-orbit coupling. Extending to 3D space, graphene networks with negative curvature, called Mackay-Terrones crystals (MTC), have been proposed and experimentally explored, yet their topological properties remain to be discovered. Based on the first-principle calculations, we report an all-carbon MTC with topologically non-trivial electronic states by exhibiting node-lines in bulk. When the node-lines are projected on to surfaces to form circles, "drumhead" like flat surface bands nestled inside of the circles are formed. The bulk node-line can evolve into 3D Dirac point in the absence of inversion symmetry, which has shown its plausible existence in recent experiments.

cond-mat.mes-hall↗

arXiv2015

Topological Nodal Line Semimetal and Dirac Semimetal State in Antiperovskite Cu$_3$PdN

Based on first-principles calculation and effective model analysis, we propose that the cubic antiperovskite material Cu$_3$PdN can host a three-dimensional (3D) topological nodal line semimetal state when spin-orbit coupling (SOC) is ignored, which is protected by coexistence of time-reversal and inversion symmetry. There are three nodal line circles in total due to the cubic symmetry. "Drumhead"-like surface flat bands are also derived. When SOC is included, each nodal line evolves into a pair of stable 3D Dirac points as protected by C$_4$ crystal symmetry. This is remarkably distinguished from the Dirac semimetals known so far, such as Na$_3$Bi and Cd$_3$As$_2$, both having only one pair of Dirac points. Once C$_4$ symmetry is broken, the Dirac points are gapped and the system becomes a strong topological insulator with (1;111) Z$_2$ indices.

cond-mat.mtrl-sci↗

arXiv2015

Quantum Spin Hall Effect in 2D Transition Metal Dichalcogenide Haeckelites

By using first-principles calculation, we have found that a family of 2D transition metal dichalcogenide haeckelites with square-octagonal lattice $MX_2$-4-8 ($M$=Mo, W and $X$=S, Se and Te) can host quantum spin hall effect. The phonon spectra indicate that they are dynamically stable and the largest band gap is predicted to be around 54 meV, higher than room temperature. These will pave the way to potential applications of topological insulators. We have also established a simple tight-binding model on a square-like lattice to achieve topological nontrivial quantum states, which extends the study from honeycomb lattice to square-like lattice and broads the potential topological material system greatly.

cond-mat.mtrl-sci↗

arXiv2015

Interaction-induced quantum anomalous Hall phase in (111) bilayer of LaCoO$_3$

In the present paper, the Gutzwiller density functional theory (LDA+G) has been applied to study a bilayer system of LaCoO$_3$ grown along the $(111)$ direction on SrTiO$_3$. The LDA calculations show that there are two nearly flat bands located at the top and bottom of $e_{g}$ bands of Co atoms with the Fermi level crossing the lower one, which is almost half-filled. After including both the spin-orbit coupling and the Coulomb interaction in the LDA+G method, we find that the interplay between spin-orbit coupling and Coulomb interaction stabilizes a very robust ferromagnetic insulator phase with non-zero Chern number, which indicates the possibility to realize quantum anomalous Hall effect in this system.

cond-mat.str-el↗

arXiv2015

Observation of the chiral anomaly induced negative magneto-resistance in 3D Weyl semi-metal TaAs

Weyl semi-metal is the three dimensional analog of graphene. According to the quantum field theory, the appearance of Weyl points near the Fermi level will cause novel transport phenomena related to chiral anomaly. In the present paper, we report the first experimental evidence for the long-anticipated negative magneto-resistance generated by the chiral anomaly in a newly predicted time-reversal invariant Weyl semi-metal material TaAs. Clear Shubnikov de Haas oscillations (SdH) have been detected starting from very weak magnetic field. Analysis of the SdH peaks gives the Berry phase accumulated along the cyclotron orbits to be π, indicating the existence of Weyl points.

cond-mat.mtrl-sci↗

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↗

arXiv2015

Weyl semimetal phase in non-centrosymmetric transition metal monophosphides

Based on first principle calculations, we show that a family of nonmagnetic materials including TaAs, TaP, NbAs and NbP are Weyl semimetal (WSM) without inversion center. We find twelve pairs of Weyl points in the whole Brillouin zone (BZ) for each of them. In the absence of spin-orbit coupling (SOC), band inversions in mirror invariant planes lead to gapless nodal rings in the energy-momentum dispersion. The strong SOC in these materials then opens full gaps in the mirror planes, generating nonzero mirror Chern numbers and Weyl points off the mirror planes. The resulting surface state Fermi arc structures on both (001) and (100) surfaces are also obtained and show interesting shapes, pointing to fascinating playgrounds for future experimental studies.

cond-mat.mtrl-sci↗

arXiv2014

Thermodynamics of the $α$-$γ$ transition in cerium studied by an LDA + Gutzwiller method

The $α$-$γ$ transition in cerium has been studied in both zero and finite temperature by Gutzwiller density functional theory. We find that the first order transition between $α$ and $γ$ phases persists to the zero temperature with negative pressure. By further including the entropy contributed by both electronic quasi-particles and lattice vibration, we obtain the total free energy at given volume and temperature, from which we obtain the $α$-$γ$ transition from the first principle calculation. We also computed the phase diagram and pressure versus volume isotherms of cerium at finite temperature and pressure, finding excellent agreement with the experiments. Our calculation indicate that both the electronic entropy and lattice vibration entropy plays important role in the $α$-$γ$ transition.

cond-mat.str-el↗

arXiv2014

Exploration and prediction of topological electronic materials based on first-principles calculations

The class of topological insulator materials is one of the frontier topics of condensed matter physics. The great success of this field is due to the conceptual breakthroughs in theories for topological electronic states and is strongly motivated by the rich variety of material realizations, thus making the theories testable, the experiments operable, and the applications possible. First-principles calculations have demonstrated unprecedented predictive power for material selection and design. In this article, we review recent progress in this field with a focus on the role of first-principles calculations. In particular, we introduce the Wilson loop method for the determination of topological invariants and discuss the band inversion mechanism for the selection of topological materials. Recent progress in quantum anomalous Hall insulators, large-gap quantum spin Hall insulators, and correlated topological insulators are also covered.

cond-mat.mes-hall↗

arXiv2014

Topological Insulator to Dirac Semimetal Transition Driven by Sign Change of Spin-Orbit Coupling in Thallium Nitride

Based on the first-principles calculations, we reveal that TlN, a simple binary compound with Wurtzite structure, is a three-dimensional (3D) topological insulator (TI) with effectively negative spin-orbit coupling $λ_{eff} < 0$, which makes it distinguished from other TIs by showing opposite spin-momentum locking effect in its surface states. The sign of $λ_{eff}$ depends on the hybridization between N-$2p$ and Tl-$5d$ states, and can be tuned from negative to postive by lattice strain or chemical substitution, which drive the system into a Dirac semimetal with 3D Dirac cones in its bulk states. Such topological phase transition can be realized by electronic mechanism without breaking any crystal symmetry.

cond-mat.mtrl-sci↗

arXiv2014

Strong Anisotropy of Dirac Cone in SrMnBi2 and CaMnBi2 Revealed by Angle-Resolved Photoemission Spectroscopy

The Dirac materials, such as graphene and three-dimensional topological insulators, have attracted much attention because they exhibit novel quantum phenomena with their low energy electrons governed by the relativistic Dirac equations. One particular interest is to generate Dirac cone anisotropy so that the electrons can propagate differently from one direction to the other, creating an additional tunability for new properties and applications. While various theoretical approaches have been proposed to make the isotropic Dirac cones of graphene into anisotropic ones, it has not yet been met with success. There are also some theoretical predictions and/or experimental indications of anisotropic Dirac cone in novel topological insulators and AMnBi2 (A=Sr and Ca) but more experimental investigations are needed. Here we report systematic high resolution angle-resolved photoemission measurements that have provided direct evidence on the existence of strongly anisotropic Dirac cones in SrMnBi2 and CaMnBi2. Distinct behaviors of the Dirac cones between SrMnBi2 and CaMnBi2 are also observed. These results have provided important information on the strong anisotropy of the Dirac cones in AMnBi2 system that can be governed by the spin-orbital coupling and the local environment surrounding the Bi square net.

cond-mat.str-el↗