arXiv subjects

Yang He

Publications and source records attributed to Yang He.

158 records · Page 9Linked to original sources

arXiv2015

Atomic Conversion Reaction Mechanism of WO3 in Secondary Ion Batteries

Conversion reaction is one of the most important chemical processes in energy storage such as lithium ion batteries. While it is generally assumed that the conversion reaction is initiated by ion intercalation into the electrode material, solid evidence of intercalation and the subsequent transition mechanism to conversion remain elusive. Here, using well-defined WO3 single crystalline thin films grown on Nb doped SrTiO3(001) as a model electrode, we elucidate the conversion reaction mechanisms during Li+, Na+ and Ca2+ insertion into WO3 by in situ transmission electron microscopy studies. Intercalation reactions are explicitly revealed for all ion insertions. With corroboration from first principle molecular simulations, it is found that, beyond intercalation, ion-oxygen bonding destabilize the W framework, which gradually collapses to pseudo-amorphous structure. In addition, we show the interfacial tensile strain imposed by the SrTiO3 substrate can preserve the structure of an ultra-thin layer of WO3, offering a possible engineering solution to improve the cyclability of electrode materials. This study provides a detailed atomistic picture on the conversion-type electrodes in secondary ion batteries.

cond-mat.mtrl-sci↗

arXiv2015

Explicit non-canonical symplectic algorithms for charged particle dynamics

We study the non-canonical symplectic structure, or K-symplectic structure inherited by the charged particle dynamics. Based on the splitting technique, we construct non-canonical symplectic methods which is explicit and stable for the long-term simulation. The key point of splitting is to decompose the Hamiltonian as four parts, so that the resulting four subsystems have the same structure and can be solved exactly. This guarantees the K-symplectic preservation of the numerical methods constructed by composing the exact solutions of the subsystems. The error convergency of numerical solutions is analyzed by means of the Darboux transformation. The numerical experiment display the long-term stability and efficiency for these methods.

physics.comp-ph↗

arXiv2015

Canonical symplectic particle-in-cell method for long-term large-scale simulations of the Vlasov-Maxwell system

Particle-in-Cell (PIC) simulation is the most important numerical tool in plasma physics. However, its long-term accuracy has not been established. To overcome this difficulty, we developed a canonical symplectic PIC method for the Vlasov-Maxwell system by discretizing its canonical Poisson bracket. A fast local algorithm to solve the symplectic implicit time advance is discovered without root searching or global matrix inversion, enabling applications of the proposed method to very large-scale plasma simulations with many, e.g., $10^{9}$, degrees of freedom. The long-term accuracy and fidelity of the algorithm enables us to numerically confirm Mouhot and Villani's theory and conjecture on nonlinear Landau damping over several orders of magnitude using the PIC method, and to calculate the nonlinear evolution of the reflectivity during the mode conversion process from extraordinary waves to Bernstein waves.

physics.plasm-ph↗

arXiv2015

Hamiltonian integration methods for Vlasov-Maxwell equations

Hamiltonian integration methods for the Vlasov-Maxwell equations are developed by a Hamiltonian splitting technique. The Hamiltonian functional is split into five parts, i.e., the electrical energy, the magnetic energy, and the kinetic energy in three Cartesian components. Each of the subsystems is a Hamiltonian system with respect to the Morrison-Marsden-Weinstein Poisson bracket and can be solved exactly. Compositions of the exact solutions yield Poisson structure preserving, or Hamiltonian, integration methods for the Vlasov-Maxwell equations, which have superior long-term fidelity and accuracy.

physics.comp-ph↗

arXiv2015

Comment on "Hamiltonian splitting for the Vlasov-Maxwell equations"

The paper [1] by Crouseilles, Einkemmer, and Faou used an incorrect Poisson bracket for the Vlasov-Maxwell equations. If the correct Poisson bracket is used, the solution of one of the subsystems cannot be computed exactly in general. As a result, one cannot construct a symplectic scheme for the Vlasov-Maxwell equations using the splitting Hamiltonian method proposed in Ref [1].

physics.comp-ph↗

arXiv2015

Spin-Polarized Quantum Well States on Bi$_{2-x}$Fe$_x$Se$_3$

Low temperature scanning tunneling microscopy is used to image the doped topological insulator Bi$_{2-x}$Fe$_x$Se$_3$. Interstitial Fe defects allow the detection of quasiparticle interference (QPI), and the reconstruction of the empty state band structure. Quantitative comparison between measured data and density functional theory calculations reveals the unexpected coexistence of quantum well states (QWS) with topological surface states (TSS) on the atomically clean surface of Bi$_{2-x}$Fe$_x$Se$_3$. Spectroscopic measurements quantify the breakdown of linear dispersion due to hexagonal warping. Nonetheless, both QWS and TSS remain spin-polarized and protected from backscattering to almost 1 eV above the Dirac point, suggesting their utility for spin-based applications.

cond-mat.mtrl-sci↗

arXiv2014

Nanoscale interplay of strain and doping in a high-temperature superconductor

The highest temperature superconductors are electronically inhomogeneous at the nanoscale, suggesting the existence of a local variable which could be harnessed to enhance the superconducting pairing. Here we report the relationship between local doping and local strain in the cuprate superconductor Bi$_2$Sr$_2$CaCu$_2$O$_{8+x}$. We use scanning tunneling microscopy to discover that the crucial oxygen dopants are periodically distributed, in correlation with local strain. Our picoscale investigation of the intra-unit-cell positions of all oxygen dopants provides essential structural input for a complete microscopic theory.

cond-mat.str-el↗

arXiv2014

Fermi Surface and Pseudogap Evolution in a Cuprate Superconductor

The unclear relationship between cuprate superconductivity and the pseudogap state remains an impediment to understanding the high transition temperature (Tc) superconducting mechanism. Here we employ magnetic-field-dependent scanning tunneling microscopy to provide phase-sensitive proof that d-wave superconductivity coexists with the pseudogap on the antinodal Fermi surface of an overdoped cuprate. Furthermore, by tracking the hole doping (p) dependence of the quasiparticle interference pattern within a single Bi-based cuprate family, we observe a Fermi surface reconstruction slightly below optimal doping, indicating a zero-field quantum phase transition in notable proximity to the maximum superconducting Tc. Surprisingly, this major reorganization of the system's underlying electronic structure has no effect on the smoothly evolving pseudogap.

cond-mat.supr-con↗

arXiv2014

Charge order driven by Fermi-arc instability in Bi2201

The understanding of the origin of superconductivity in cuprates has been hindered by the apparent diversity of intertwining electronic orders in these materials. We combined resonant x-ray scattering (REXS), scanning-tunneling microscopy (STM), and angle-resolved photoemission spectroscopy (ARPES) to observe a charge order that appears consistently in surface and bulk, and in momentum and real space within one cuprate family, Bi2201. The observed wave vectors rule out simple antinodal nesting in the single-particle limit but match well with a phenomenological model of a many-body instability of the Fermi arcs. Combined with earlier observations of electronic order in other cuprate families, these findings suggest the existence of a generic charge-ordered state in underdoped cuprates and uncover its intimate connection to the pseudogap regime.

cond-mat.supr-con↗

arXiv2013

Exploring Quasiparticles in High-Tc Cuprates Through Photoemission, Tunneling, and X-ray Scattering Experiments

One of the key challenges in the field of high-temperature superconductivity is understanding the nature of fermionic quasiparticles. Experiments consistently demonstrate the existence of a second energy scale, distinct from the d-wave superconducting gap, that persists above the transition temperature into the "pseudogap" phase. One common class of models relates this energy scale to the quasiparticle gap due to a competing order, such as the incommensurate "checkerboard" order observed in scanning tunneling microscopy (STM) and resonant elastic X-ray scattering (REXS). In this paper we show that these experiments are better described by identifying the second energy scale with the inverse lifetime of quasiparticles. We develop a minimal phenomenological model that allows us to quantitatively describe STM and REXS experiments and discuss their relation with photoemission spectroscopy. Our study refocuses questions about the nature of the pseudogap phase to the study of the origin of inelastic scattering.

cond-mat.supr-con↗

arXiv2013

Imaging the Nanoscale Band Structure of Topological Sb

Many promising building blocks of future electronic technology - including non-stoichiometric compounds, strongly correlated oxides, and strained or patterned films - are inhomogeneous on the nanometer length scale. Exploiting the inhomogeneity of such materials to design next-generation nanodevices requires a band structure probe with nanoscale spatial resolution. To address this demand, we report the first simultaneous observation and quantitative reconciliation of two candidate probes - Landau level spectroscopy and quasiparticle interference imaging - which we employ here to reconstruct the multi-component surface state band structure of the topological semimetal antimony(Sb). We thus establish the technique of band structure tunneling microscopy (BSTM), whose unique advantages include nanoscale access to non-rigid band structure deformation, empty state dispersion, and magnetic field dependent states. We use BSTM to elucidate the relationship between bulk conductivity and surface state robustness in topological materials, and to quantify essential metrics for spintronics applications.

cond-mat.mes-hall↗

arXiv2013

Imaging the Kondo Insulating Gap on SmB6

Topological insulators host spin-polarized surface states which robustly span the band gap and hold promise for novel applications. Recent theoretical predictions have suggested that topologically protected surface states may similarly span the hybridization gap in some strongly correlated heavy fermion materials, particularly SmB6. However, the process by which the Sm 4f electrons hybridize with the 5d electrons on the surface of SmB6, and the expected Fermi-level gap in the density of states out of which the predicted topological surface states must arise, have not been directly measured. We use scanning tunneling microscopy to conduct the first atomic resolution spectroscopic study of the cleaved surface of SmB6, and to reveal a robust hybridization gap which universally spans the Fermi level on four distinct surface morphologies despite shifts in the f band energy. Using a cotunneling model, we separate the density of states of the hybridized bands from which the predicted topological surface states must be disentangled. On all surfaces we observe residual spectral weight spanning the hybridization gap down to the lowest T, which is consistent with a topological surface state.

cond-mat.str-el↗

arXiv2012

A quantum phase transition from triangular to stripe charge order in NbSe$_{2}$

The competition between proximate electronic phases produces a complex phenomenology in strongly correlated systems. In particular, fluctuations associated with periodic charge or spin modulations, known as density waves, may lead to exotic superconductivity in several correlated materials. However, density waves have been difficult to isolate in the presence of chemical disorder, and the suspected causal link between competing density wave orders and high temperature superconductivity is not understood. Here we use scanning tunneling microscopy to image a previously unknown unidirectional (stripe) charge density wave (CDW) smoothly interfacing with the familiar tri-directional (triangular) CDW on the surface of the stoichiometric superconductor NbSe$_2$. Our low temperature measurements rule out thermal fluctuations, and point to local strain as the tuning parameter for this quantum phase transition. We use this discovery to resolve two longstanding debates about the anomalous spectroscopic gap and the role of Fermi surface nesting in the CDW phase of NbSe$_2$. Our results highlight the importance of local strain in governing phase transitions and competing phenomena, and suggest a new direction of inquiry for resolving similarly longstanding debates in cuprate superconductors and other strongly correlated materials.

cond-mat.str-el↗

arXiv2011

Creating and modulating electronic states on noble metal surfaces: ultrathin Ag islands on Si(111)-7$\times$7 as a prototype

Various-thickness Ag islands were prepared on Si(111)-7$\times$7 using the one-step deposition at a high substrate temperature. An electronic state centered at -0.40$\sim$-0.15eV versus E$_{Fermi}$, detectable on the surface of the Ag islands thinner than 9 layers, was created by the electronic hybridization between Ag and Si at the Ag-Si interface. Scanning tunneling microscopy/spectroscopy and density functional theory revealed that the thickness of Ag islands determined the strength of the hybridization, leading to a modulation to the energy and intensity of the state on the surface.

cond-mat.mtrl-sci↗