arXiv subjects

Xi Dai

Publications and source records attributed to Xi Dai.

At least 181 records · Page 10Linked to original sources

arXiv2010

Crossover of Three-Dimensional Topological Insulator of Bi2Se3 to the Two-Dimensional Limit

Bi2Se3 is theoretically predicted1 2and experimentally observed2,3 to be a three dimensional topological insulator. For possible applications, it is important to understand the electronic structure of the planar device. In this work, thickness dependent band structure of molecular beam epitaxy grown ultrathin films of Bi2Se3 is investigated by in situ angle-resolved photoemission spectroscopy. An energy gap is observed for the first time in the topologically protected metallic surface states of bulk Bi2Se3 below the thickness of six quintuple layers, due to the coupling between the surface states from two opposite surfaces of the Bi2Se3 film. The gapped surface states exhibit sizable Rashba-type spin-orbit splitting, due to breaking of structural inversion symmetry induced by SiC substrate. The spin-splitting can be controlled by tuning the potential difference between the two surfaces.

cond-mat.mtrl-sci↗

arXiv2010

Topological insulator Bi2Se3 thin films grown on double-layer graphene by molecular beam epitaxy

Atomically flat thin films of topological insulator Bi2Se3 have been grown on double-layer graphene formed on 6H-SiC(0001) substrate by molecular beam epitaxy. By a combined study of reflection high energy electron diffraction and scanning tunneling microscopy, we identified the Se-rich condition and temperature criterion for layer-by-layer growth of epitaxial Bi2Se3 films. The as-grown films without doping exhibit a low defect density of 1.0\pm 0.2x1011/cm2, and become a bulk insulator at a thickness of 10 quintuple layers, as revealed by in situ angle resolved photoemission spectroscopy measurement.

cond-mat.mes-hall↗

arXiv2010

Physical origin of superconductivity in EuFe2As1.4P0.6 and EuFe2As2: pressure-induce valence change of europium

Superconductivity can be realized in Eu-containing pnictides by application of chemical (internal) and physical (external) pressure, the intrinsic physical mechanism of which attracts much attention in physics community. Here we present the experimental evidence for the valence change of europium in compounds of EuFe2As1.4P0.6 exposed to ambient pressure and EuFe2As2 to high pressure by x-ray absorption measurements on L3-Eu edge. We find that the absorption spectrum of EuFe2As1.4P0.6 at ambient pressure shows clear spectra weight transfer from a divalent to a trivalent state. Furthermore, application of pressure on EuFe2As2 using a diamond anvil cell shows a similar behavior of valence transition as EuFe2As1.4P0.6. These findings are the first observation of superconductivity mechanized by valence change in pnictides superconductors and elucidate the intrinsic physical origin of superconductivity in EuFe2As1.4P0.6 and compressed EuFe2As2.

cond-mat.supr-con↗

arXiv2010

Model Hamiltonian for Topological Insulators

In this paper we give the full microscopic derivation of the model Hamiltonian for the three dimensional topological insulators in the $Bi_2Se_3$ family of materials ($Bi_2Se_3$, $Bi_2Te_3$ and $Sb_2Te_3$). We first give a physical picture to understand the electronic structure by analyzing atomic orbitals and applying symmetry principles. Subsequently, we give the full microscopic derivation of the model Hamiltonian introduced by Zhang {\it et al} [\onlinecite{zhang2009}] based both on symmetry principles and the ${\bf k}\cdot{\bf p}$ perturbation theory. Two different types of $k^3$ terms, which break the in-plane full rotation symmetry down to three fold rotation symmetry, are taken into account. Effective Hamiltonian is derived for the topological surface states. Both the bulk and the surface models are investigated in the presence of an external magnetic field, and the associated Landau level structure is presented. For more quantitative fitting to the first principle calculations, we also present a new model Hamiltonian including eight energy bands.

cond-mat.mtrl-sci↗

arXiv2010

First Principles Studies on 3-Dimentional Strong Topological Insulators: Bi2Te3, Bi2Se3 and Sb2Te3

Bi2Se3, Bi2Te3 and Sb2Te3 compounds are recently predicted to be 3-dimentional (3D) strong topological insulators. In this paper, based on ab-initio calculations, we study in detail the topological nature and the surface states of this family compounds. The penetration depth and the spin-resolved Fermi surfaces of the surface states will be analyzed. We will also present an procedure, from which highly accurate effective Hamiltonian can be constructed, based on projected atomic Wannier functions (which keep the symmetries of the systems). Such Hamiltonian can be used to study the semi-infinite systems or slab type supercells efficiently. Finally, we discuss the 3D topological phase transition in Sb2(Te1-xSex)3 alloy system.

cond-mat.mtrl-sci↗

arXiv2010

Landau Quantization of Massless Dirac Fermions in Topological Insulator

The recent theoretical prediction and experimental realization of topological insulators (TI) has generated intense interest in this new state of quantum matter. The surface states of a three-dimensional (3D) TI such as Bi_2Te_3, Bi_2Se_3 and Sb_2Te_3 consist of a single massless Dirac cones. Crossing of the two surface state branches with opposite spins in the materials is fully protected by the time reversal (TR) symmetry at the Dirac points, which cannot be destroyed by any TR invariant perturbation. Recent advances in thin-film growth have permitted this unique two-dimensional electron system (2DES) to be probed by scanning tunneling microscopy (STM) and spectroscopy (STS). The intriguing TR symmetry protected topological states were revealed in STM experiments where the backscattering induced by non-magnetic impurities was forbidden. Here we report the Landau quantization of the topological surface states in Bi_2Se_3 in magnetic field by using STM/STS. The direct observation of the discrete Landau levels (LLs) strongly supports the 2D nature of the topological states and gives direct proof of the nondegenerate structure of LLs in TI. We demonstrate the linear dispersion of the massless Dirac fermions by the square-root dependence of LLs on magnetic field. The formation of LLs implies the high mobility of the 2DES, which has been predicted to lead to topological magneto-electric effect of the TI.

cond-mat.mes-hall↗

arXiv2010

Spin current through an ESR quantum dot: A real-time study

The spin transport in a strongly interacting spin-pump nano-device is studied using the time-dependent variational-matrix-product-state (VMPS) approach. The precession magnetic field generates a dissipationless spin current through the quantum dot. We compute the real time spin current away from the equilibrium condition. Both transient and stationary states are reached in the simulation. The essentially exact results are compared with those from the Hartree-Fock approximation (HFA). It is found that correlation effect on the physical quantities at quasi-steady state are captured well by the HFA for small interaction strength. However the HFA misses many features in the real time dynamics. Results reported here may shed light on the understanding of the ultra-fast processes as well as the interplay of the non-equilibrium and strongly correlated effect in the transport properties.

cond-mat.mes-hall↗

arXiv2010

An Impurity Solver Using the Time-Dependent Variational Matrix Product State Approach

We use the time dependent variational matrix product state (tVMPS) approach to investigate the dynamical properties of the single impurity Anderson model (SIAM). Under the Jordan-Wigner transformation, the SIAM is reformulated into two spin-1/2 XY chains with local magnetic fields along the z-axis. The chains are connected by the longitudinal Ising coupling at the end points. The ground state of the model is searched variationally within the space spanned by the matrix product state (MPS). The temporal Green's functions are calculated both by the imaginary and real time evolutions, from which the spectral information can be extracted. The possibility of using the tVMPS approach as an impurity solver for the dynamical mean field theory is also addressed. Finite temperature density operator is obtained by the ancilla approach. The results are compared to those from the Lanczos and the Hirsch-Fye quantum Monte-Carlo methods.

cond-mat.str-el↗

arXiv2010

Quantized Anomalous Hall Effect in Magnetic Topological Insulators

The Hall effect, the anomalous Hall effect and the spin Hall effect are fundamental transport processes in solids arising from the Lorentz force and the spin-orbit coupling respectively. The quantum versions of the Hall effect and the spin Hall effect have been discovered in recent years. However, the quantized anomalous Hall (QAH) effect has not yet been realized experimentally. In a QAH insulator, spontaneous magnetic moments and spin-orbit coupling combine to give rise to a topologically non-trivial electronic structure, leading to the quantized Hall effect without any external magnetic field. In this work, based on state-of-art first principles calculations, we predict that the tetradymite semiconductors Bi$_2$Te$_3$, Bi$_2$Se$_3$, and Sb$_2$Te$_3$ form magnetically ordered insulators when doped with transition metal elements (Cr or Fe), in sharp contrast to conventional dilute magnetic semiconductor where free carriers are necessary to mediate the magnetic coupling. Magnetic order in two-dimensional thin films gives rise to a topological electronic structure characterized by a finite Chern number, with quantized Hall conductance $e^{2}/h$. Experimental realization of the long sought-after QAH insulator state could enable robust dissipationless charge transport at room temperature.

cond-mat.mes-hall↗

arXiv2009

Growth dynamics and thickness-dependent electronic structure of topological insulator Bi2Te3 thin films on Si

We use real-time reflection high energy electron diffraction intensity oscillation to establish the Te-rich growth dynamics of topological insulator thin films of Bi2Te3 on Si(111) substrate by molecular beam epitaxy. In situ angle resolved photoemission spectroscopy (ARPES), scanning tunneling microscopy and ex situ transport measurements reveal that the as-grown Bi2Te3 films without any doping are an intrinsic topological insulator with its Fermi level intersecting only the metallic surface states. Experimentally, we find that the single-Dirac-cone surface state develops at a thickness of two quintuple layers (2 QL). Theoretically, we show that the interaction between the surface states from both sides of the film, which is determined by the penetration depth of the topological surface state wavefunctions, sets this lower thickness limit.

cond-mat.mes-hall↗

arXiv2009

Antiferromagnetism of Repulsively Interacting Fermions in a harmonic trap

We propose a Real-Space Gutzwiller variational approach and apply it to a system of repulsively interacting ultracold fermions with spin 1/2 trapped in an optical lattice with a harmonic confinement. Using the Real-Space Gutzwiller variational approach, we find that in system with balanced spin-mixtures on a square lattice, antiferromagnetism either appears in a checkerboard pattern or forms a ring and antiferromagnetic order is stable in the regions where the particle density is close to one, which is consistent with the recent results obtained by the Real-Space Dynamical Mean-field Theory approach. We also investigate the imbalanced case and find that antiferromagnetic order is suppressed there.

cond-mat.str-el↗

arXiv2009

Fast Impurity Solver for Dynamical Mean Field Theory based on second order perturbation around the atomic limit

An impurity solver for the dynamical mean field (DMFT) study of the Mott insulators is proposed, which is based on the second order perturbation of the hybridization function. After carefully benchmarking it with Quantum Monte Carlo results on the anti-ferromagnetic phase of the Hubbard model, we conclude that this impurity solver can capture the main physical features in the strong coupling regime and can be a very useful tool for the LDA+DMFT studies of the Mott insulators with long range order.

cond-mat.str-el↗

arXiv2009

Experimental demonstration of the topological surface states protected by the time-reversal symmetry

We report direct imaging of standing waves of the nontrivial surface states of topological insulator Bi$_2$Te$_3$ by using a low temperature scanning tunneling microscope. The interference fringes are caused by the scattering of the topological states off Ag impurities and step edges on the Bi$_2$Te$_3$(111) surface. By studying the voltage-dependent standing wave patterns, we determine the energy dispersion $E(k)$, which confirms the Dirac cone structure of the topological states. We further show that, very different from the conventional surface states, the backscattering of the topological states by nonmagnetic impurities is completely suppressed. The absence of backscattering is a spectacular manifestation of the time-reversal symmetry, which offers a direct proof of the topological nature of the surface states.

cond-mat.mes-hall↗

arXiv2009

Oscillatory crossover from two dimensional to three dimensional topological insulators

We investigate the crossover regime from three dimensional topological insulators $Bi_2Te_3$ and $Bi_2Se_3$ to two dimensional topological insulators with quantum spin Hall effect when the layer thickness is reduced. Using both analytical models and first-principles calculations, we find that the crossover occurs in an oscillatory fashion as a function of the layer thickness, alternating between topologically trivial and non-trivial two dimensional behavior.

cond-mat.mes-hall↗

arXiv2009

Quintuple-layer epitaxy of high-quality Bi2Se3 thin films for topological insulator

We report the growth of atomically smooth, single crystalline Bi2Se3 thin films on Si(111) by using molecular beam epitaxy. Scanning tunneling microscopy, low-energy electron diffraction, X-ray photoelectron emission spectroscopy and Raman spectroscopy were used to characterize the stoichiometry and crystallinity of the film. The film grows in a self-organized quintuple-layer by quintuple-layer mode, and atomically smooth film can be obtained with the thickness down to one quintuple-layer (~1nm).

cond-mat.mes-hall↗

arXiv2009

Orbital-Selective Mott transition out of band degeneracy lifting

We outline a general mechanism for Orbital-selective Mott transition (OSMT), the coexistence of both itinerant and localized conduction electrons, and show how it can take place in a wide range of realistic situations, even for bands of identical width and correlation, provided a crystal field splits the energy levels in manifolds with different degeneracies and the exchange coupling is large enough to reduce orbital fluctuations. The mechanism relies on the different kinetic energy in manifolds with different degeneracy. This phase has Curie-Weiss susceptibility and non Fermi-liquid behavior, which disappear at a critical doping, all of which is reminiscent of the physics of the pnictides.

cond-mat.str-el↗

arXiv2009

Electronic Structures and Surface States of Topological Insulator Bi$_{1-x}$Sb$_{x}$

We investigate the electronic structures of the alloyed Bi$_{1-x}$Sb$_x$ compounds based on first-principle calculations including spin-orbit coupling (SOC), and calculate the surface states of semi-infinite systems using maximally localized Wannier function (MLWF). From the calculated results, we analyze the topological nature of Bi$_{1-x}$Sb$_x$, and found the followings: (1) pure Bi crystal is topologically trivial; (2) topologically non-trivial phase can be realized by reducing the strength of SOC via Sb doping; (3) the indirect bulk band gap, which is crucial to realize the true bulk insulating phase, can be enhanced by uniaxial pressure along c axis. (4) The calculated surface states can be compared with experimental results, which confirms the topological nature; (5) We predict the spin-resolved Fermi surfaces and showed the vortex structures, which should be examined by future experiments.

cond-mat.mes-hall↗

arXiv2009

A Fast Impurity Solver Based on Gutzwiller variational approach

A fast impurity solver for the dynamical mean field theory(DMFT) named Two Mode Approxi- mation (TMA) is proposed based on the Gutzwiller variational approach, which captures the main features of both the coherent and incoherent motion of the electrons. The new solver works with real frequency at zero temperature and it provides directly the spectral function of the electrons. It can be easily generalized to multi-orbital impurity problems with general on-site interactions, which makes it very useful in LDA+DMFT. Benchmarks on one and two band Hubbard models are presented, and the results agree well with those of Exact Diagonalization (ED).

cond-mat.str-el↗