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Jian Liu

Publications and source records attributed to Jian Liu.

At least 505 records · Page 28Linked to original sources

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↗

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↗

Temperature and composition dependence of the band gaps of Ga$_{1-x}$In$_x$N alloy: a first-principles study based on the virtual crystal approximation

We report on the structural, electronic and vibrational properties of the Ga$_{1-x}$In$_x$N alloy using virtual crystal approximation (VCA) from first-principles. A band gap bowing parameter of 3.85 eV is obtained with the TB09 functional. Phonon density of states shifts to lower frequency as the In content is increased. However, VCA ignores disorder effect and is therefore unable to describe the broadening of the phonon spectra upon alloying. The role of electron-phonon interaction in the temperature dependence of the band gap is also studied for GaN, InN and their alloy Ga$_{1-x}$In$_x$N. The calculated zero-point motion renormalization and the fitted Varshni parameter over the entire composition range are discussed.

cond-mat.mtrl-sci↗

180 degree Ferroelectric Stripe Nanodomains in BiFeO3 Thin Films

There is growing evidence that domain walls in ferroics can possess emergent properties that are absent in bulk materials. For example, 180 domain walls in the ferroelectric-antiferromagnetic BiFeO3 are particularly interesting because they have been predicted to possess a range of intriguing behaviors; including electronic conduction and enhanced magnetization. To date, however, ordered arrays of such domain structures have not been reported. Here, we report the observation of 180 stripe nanodomains in (110)-oriented BiFeO3 thin films grown on orthorhombic GdScO3 (010)O substrates, and their impact on exchange coupling to metallic ferromagnets. Nanoscale ferroelectric 180 stripe domains with {112 } domain walls were observed in films < 32 nm thick to compensate for large depolarization fields. With increasing film thickness, we observe a domain structure crossover from the depolarization field-driven 180 stripe nanodomains to 71 domains determined by the elastic energy. Interestingly, these 180 domain walls (which are typically cylindrical or meandering in nature due to a lack of strong anisotropy associated with the energy of such walls) are found to be highly-ordered. Additional studies of Co0.9Fe0.1/BiFeO3 heterostructures reveal exchange bias and exchange enhancement in heterostructures based-on BiFeO3 with 180 domain walls and an absence of exchange bias in heterostructures based-on BiFeO3 with 71 domain walls; suggesting that the 180 domain walls could be the possible source for pinned uncompensated spins that give rise to exchange bias. This is further confirmed by X-ray circular magnetic dichroism studies, which demonstrate that films with predominantly 180 domain walls have larger magnetization than those with primarily 71 domain walls. Our results could be useful to extract the structure of domain walls and to explore domain wall functionalities in BiFeO3.

cond-mat.mtrl-sci↗

Selective Interface Control of Order Parameters in Complex Oxides

In complex materials observed electronic phases and transitions between them often involves coupling between many degrees of freedom whose entanglement convolutes understanding of the instigating mechanism. Metal-insulator transitions are one such problem where coupling to the structural, orbital, charge, and magnetic order parameters frequently obscures the underlying physics. Here, we demonstrate a way to unravel this conundrum by heterostructuring a prototypical multi-ordered complex oxide NdNiO3 in ultra thin geometry, which preserves the metal-to-insulator transition and bulk-like magnetic order parameter, but entirely suppresses the symmetry lowering and charge order parameter. These findings illustrate the utility of heterointerfaces as a powerful method for removing competing order parameters to gain greater insight into the nature of the transition, here revealing that the magnetic order generates the transition independently, leading to a purely electronic Mott metal-insulator transition.

cond-mat.str-el↗

Novel electronic behavior driving NdNiO3 metal-insulator transition

We present evidence that the metal-insulator transition (MIT) in a tensile strained NdNiO3 (NNO) film is facilitated by a redistribution of electronic density and neither requires Ni charge disproportionation nor symmetry change [1, 2]. Given epitaxial tensile strain in thin NNO films induces preferential occupancy of the $e_g$ $d_{x^2-y^2}$ orbital ($s_{3z^2-r^2}$) we propose the larger transfer integral of this orbital state with the O 2p mediates a redistribution of electronic density from the Ni atom. A decrease in Ni $d_{x^2-y^2}$ orbital occupation is directly observed by resonant inelastic x-ray scattering below the MIT temperature. Furthermore, an increase in Nd charge occupancy is measured by x-ray absorption at the Nd L3 edge. Both spin-orbit coupling and crystal field effects combine to break the degeneracy of the Nd 5d states shifting the energy of the Nd $e_g$ $d_{x^2-y^2}$ orbital towards the Fermi level allowing the A site to become an active acceptor during the MI transition. This work identifies the relocation of electrons from the Ni 3d to the Nd 5d orbitals across the MIT. We propose the insulating gap opens between the Ni 3d and O 2p resulting from Ni 3d electron localization mediated by charge loss. The transition seems neither purely Mott-Hubbard nor simple charge transfer.

cond-mat.str-el↗

Response to Comment (arXiv:1506.02787v1) on Selective Interface Control of Order Parameters in Complex Oxides

In response to Lu et al, (arXiv:1506.02787v1), here we present a detailed writeup concerning the questions raised in their comment on our eprint (arXiv:1505.07451). The key question raised by Lu et al was if the bulk-like charge ordered state becomes indetectable with resonant scattering due to ultrathin film thickness. In this reply, we first detail the relation of our work to past work on the same compound by Staub et al to demonstrate that the presented data are indeed sufficient to support our claims of no charge order on ultra thin films of NdNiO3 (NNO) on NdGaO3 (NGO). Further, we demonstrate that if a well defined charge ordered phase exists in ultra thin films, it is indeed resolvable such as that in EuNiO3 (ENO).

cond-mat.str-el↗

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↗

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↗

Giant reversible nanoscale piezoresistance at room temperature in Sr2IrO4 thin films

Layered iridates have been the subject of intense scrutiny on account of their unusually strong spin-orbit coupling, which opens up a narrow gap in a material that would otherwise be a metal. This insulating state is very sensitive to external perturbations. Here, we show that vertical compression at the nanoscale, delivered using the tip of a standard scanning probe microscope, is capable of inducing a five orders of magnitude change in the room temperature resistivity of Sr2IrO4. The extreme sensitivity of the electronic structure to anisotropic deformations opens up a new angle of interest on this material, and the giant and fully reversible perpendicular piezoresistance makes iridates a promising material for room temperature piezotronic devices.

cond-mat.mtrl-sci↗

What is the fate of runaway positrons in tokamaks?

Massive runaway positrons are generated by runaway electrons in tokamaks. The fate of these positrons encodes valuable information about the runaway dynamics. The phase space dynamics of a runaway position is investigated using a Lagrangian that incorporates the tokamak geometry, loop voltage, radiation and collisional effects. It is found numerically that runaway positrons will drift out of the plasma to annihilate on the first wall, with an in-plasma annihilation possibility less than 0.1\%. The dynamics of runaway positrons provides signatures that can be observed as diagnostic tools.

physics.plasm-ph↗

Room-temperature antiferromagnetic memory resistor

The bistability of ordered spin states in ferromagnets (FMs) provides the magnetic memory functionality. Traditionally, the macroscopic moment of ordered spins in FMs is utilized to write information on magnetic media by a weak external magnetic field, and the FM stray field is used for reading. However, the latest generation of magnetic random access memories demonstrates a new efficient approach in which magnetic fields are replaced by electrical means for reading and writing. This concept may eventually leave the sensitivity of FMs to magnetic fields as a mere weakness for retention and the FM stray fields as a mere obstacle for high-density memory integration. In this paper we report a room-temperature bistable antiferromagnetic (AFM) memory which produces negligible stray fields and is inert in strong magnetic fields. We use a resistor made of an FeRh AFM whose transition to a FM order 100 degrees above room-temperature, allows us to magnetically set different collective directions of Fe moments. Upon cooling to room-temperature, the AFM order sets in with the direction the AFM moments pre-determined by the field and moment direction in the high temperature FM state. For electrical reading, we use an antiferromagnetic analogue of the anisotropic magnetoresistance (AMR). We report microscopic theory modeling which confirms that this archetypical spintronic effect discovered more than 150 years ago in FMs, can be equally present in AFMs. Our work demonstrates the feasibility to realize room-temperature spintronic memories with AFMs which greatly expands the magnetic materials base for these devices and offers properties which are unparalleled in FMs.

cond-mat.mtrl-sci↗

Molecular-Scale Hydrophilicity Induced by Solute: Molecular-thick Charged Pancakes of Aqueous Salt Solution on Hydrophobic Carbon-based Surfaces

We directly observed molecular-thick aqueous salt-solution pancakes on a hydrophobic graphite surface under ambient conditions employing atomic force microscopy. This observation indicates the unexpected molecular-scale hydrophilicity of the salt solution on graphite surfaces, which is different from the macroscopic wetting property of a droplet standing on the graphite surface. Interestingly, the pancakes spontaneously displayed strong positively charged behavior. Theoretical studies showed that the formation of such positively charged pancakes is attributed to cation-π interactions between Na+ ions in the aqueous solution and aromatic rings on the graphite surface, promoting the adsorption of water molecules together with cations onto the graphite surface; i.e., Na+ ions as a medium adsorbed to the graphite surface through cation-π interactions on one side while at the same time bonding to water molecules through hydration interaction on the other side at a molecular scale. These findings suggest that actual interactions regarding carbon-based graphitic surfaces including those of graphene, carbon nanotubes, and biochar may be significantly different from existing theory and they provide new insight into the control of surface wettability, interactions and related physical, chemical and biological processes.

cond-mat.soft↗

Electronic and magnetic properties of (1 1 1)-oriented CoCr2O4 epitaxial thin film

We report on the fabrication of high quality (1 1 1)-oriented ferrimagnetic normal spinel CoCr2O4 epitaxial thin films on single crystal Al2O3 substrates. The structural, electronic and magnetic properties were characterized by in-situ reflection high energy electron diffraction, atomic force microscopy, X-ray diffraction, X-ray photoemission spectroscopy, SQUID magnetometry and element resolved resonant X-ray magnetic scattering. The comprehensive characterization reveals that no disorder in the cation distribution or multivalency issue is present in the samples. As a result, Kagome and triangular layers are naturally formed via this specific growth approach. These findings offer a pathway to fabricate two dimensional Kagome heterostructures with novel quantum many-body phenomena by means of geometrical design.

cond-mat.str-el↗

Temperature and composition dependence of short-range order and entropy, and statistics of bond length: the semiconductor alloy (GaN)$_{1-x}$(ZnO)$_x$

We present total energy and force calculations on the (GaN)$_{1-x}$(ZnO)$_{x}$ alloy. Site-occupancy configurations are generated by Monte Carlo (MC) simulations, based on a cluster expansion (CE) model proposed in a previous study. Surprisingly large local atomic coordinate relaxations are found by density-functional calculations using a 432-atom periodic supercell, for three representative configurations at $x=0.5$. These are used to generate bond length distributions. The configurationally averaged composition- and temperature-dependent short-range order (SRO) parameters of the alloys are discussed. Entropy is approximated in terms of pair distribution statistics and thus related to SRO parameters. This approximate entropy is compared with accurate numerical values from MC. An empirical model for the dependence of bond length on local chemical environments is proposed.

cond-mat.mtrl-sci↗

Heterointerface engineered electronic and magnetic phases of NdNiO3 thin films

Mott physics is characterized by an interaction-driven metal-to-insulator transition in a partially filled band. In the resulting insulating state, antiferromagnetic orders of the local moments typically develop, but in rare situations no long-range magnetic order appears, even at zero temperature, rendering the system a quantum spin liquid. A fundamental and technologically critical question is whether one can tune the underlying energetic landscape to control both metal-to-insulator and Néel transitions, and even stabilize latent metastable phases, ideally on a platform suitable for applications. Here we demonstrate how to achieve this in ultrathin films of NdNiO3 with various degrees of lattice mismatch, and report on the quantum critical behaviours not reported in the bulk by transport measurements and resonant X-ray spectroscopy/scattering. In particular, on the decay of the antiferromagnetic Mott insulating state into a non-Fermi liquid, we find evidence of a quantum metal-to-insulator transition that spans a non-magnetic insulating phase.

cond-mat.str-el↗

Nonlocal actin orientation models select for a unique orientation pattern

Many models have been developed to study the role of branching actin networks in motility. One important component of those models is the distribution of filament orientations relative to the cell membrane. Two mean-field models previously proposed are generalized and analyzed. In particular, we find that both models uniquely select for a dominant orientation pattern. In the linear case, the pattern is the eigenfunction associated with the principal eigenvalue. In the nonlinear case, we show there exists a unique equilibrium and that the equilibrium is locally stable. Approximate techniques are then used to provide evidence for global stability.

q-bio.SC↗