arXiv subjects

Qing Huang

Publications and source records attributed to Qing Huang.

At least 109 records · Page 6Linked to original sources

arXiv2020

Molten salt synthesis of a nanolaminated Sc2SnC MAX Phase

The MAX phases are a family of of ternary layered material with both metal and ceramic properties, and it is also precursor ma-terials for synthesis of two-dimensional MXenes. The theory predicted that there are more than 600 stable ternary layered MAX phases. At present, there are more than 80 kinds of ternary MAX phases synthesized through experiments, and few reports on MAX phases where M is a rare earth element. In this study, a new MAX phase Sc2SnC with rare earth element Sc at the M sites was synthesized through the reaction sintering of Sc, Sn, and C mixtures. Phase composition and microstructure of Sc2SnC were confirmed by X-ray diffraction, scanning electron microscopy and X-ray energy spectrum analysis. And structural stability, mechanical and electronic properties of Sc2SnC was investigated via density functional theory. This study open a door for ex-plore more unknown ternary layered rare earth compounds Ren+1SnCn (Re=Sc, Y, La-Nd, n=1) and corresponding rare earth MXenes.

cond-mat.mtrl-sci↗

arXiv2020

Adding Potentials to Superintegrable Systems with Symmetry

In previous work, we have considered Hamiltonians associated with 3 dimensional conformally flat spaces, possessing 2, 3 and 4 dimensional isometry algebras. Previously our Hamiltonians have represented free motion, but here we consider the problem of adding potential functions in the presence of symmetry. Separable potentials in the 3 dimensional space reduce to 3 or 4 parameter potentials for Darboux-Koenigs Hamiltonians. Other 3D coordinate systems reveal connections between Darboux-Koenigs and other well known super-integrable Hamiltonians, such as the Kepler problem and isotropic oscillator.

nlin.SI↗

arXiv2020

The role of Hume-Rothery's rules play in the MAX phases formability

MAX phases are a family of layered, hexagonal-structure ternary carbides or nitrides of a transitional metal and an A-group element. What makes this type of material fascinating and potentially useful is their remarkable combinations of metallic and ceramic characteristics; as well as the indispensable role in 'top-down' synthesis of their 2D counterparts, MXenes. To enhance the efficiency in the successful search for potential novel MAX phases, the main efforts could go toward creating an informationprediction system incorporating all MAX phases' databases, as well as generally valid principles and the high-quality regularities. In this work, we employ structure mapping methodology, which has shown its merit of being useful guides in materials design, with Hume-Rothery parameters to provide guiding principles in the search of novel MAX phases. The formable/non-formable data on MAX phases can be ordered within a twodimensional plot by using proposed expression of geometrical and electron concentration factors.

cond-mat.mtrl-sci↗

arXiv2020

Halogenated MXenes with Electrochemically Active Terminals for High Performance Zinc Ion Batteries

The class of two-dimensional metal carbides and nitrides known as MXenes offer a distinct manner of property tailoring for a wide range of applications. The ability to tune the surface chemistry for expanding the property space of MXenes is thus an important topic, although experimental exploration of new surface terminals remains a challenge. Here, we synthesized Ti3C2 MXene with unitary, binary and ternary halogen terminals, e.g. -Cl, -Br, -I, -BrI and -ClBrI, to investigate the effect of surface chemistry on the properties of MXenes. The electrochemical activity of Br and I element result in the extraordinary electrochemical performance of the MXenes as cathodes for aqueous zinc ion batteries. The -Br and -I containing MXenes, e.g. Ti3C2Br2 and Ti3C2I2, exhibit distinct discharge platforms with considerable capacities of 97.6 mAh g-1 and 135 mAh g-1. Ti3C2(BrI) and Ti3C2(ClBrI) exhibit dual discharge platforms with capacities of 117.2 mAh g-1 and 106.7 mAh g-1. In contrast, the previously discovered MXenes Ti3C2Cl2 and Ti3C2(OF) exhibit no discharge platforms, and only ~50% of capacities and energy densities of Ti3C2Br2. These results emphasize the effectiveness of the Lewis-acidic-melt etching route for tuning the surface chemistry of MXenes, and also show promise for expanding the MXene family towards various applications.

cond-mat.mtrl-sci↗

arXiv2020

Anomalous Magnetoresistance in Centrosymmetric Skyrmion-Lattice Magnet Gd2PdSi3

We performed a systematic study of the temperature- and field-dependence of magnetization and resistivity of Gd2PdSi3, which is a centrosymmetric skyrmion crystal. While the magnetization behavior is consistent with the reported phase diagram based on susceptibility, we show that a phase diagram can also be constructed based on the anomalous magnetoresistance with one-to-one correspondence among all the features. In addition, the crossover boundary into the field-induced ferromagnetic state is also identified. Our results suggest that the ferromagnetic spin fluctuations above the Néel temperature play a key role in the high sensitivity of the resistivity anomalies to magnetic field, pointing to the rich interplay of different magnetic correlations at zero and finite wave vectors underlying the skyrmion lattice in this frustrated itinerant magnet.

cond-mat.str-el↗

arXiv2020

Hybridized quadrupolar excitations in the spin-anisotropic frustrated magnet FeI2

Magnetic order is usually associated with well-defined magnon excitations. Exotic magnetic fluctuations with fractional, topological or multipolar character, have been proposed for radically different forms of magnetic matter such as spin-liquids. As a result, considerable efforts have searched for, and uncovered, low-spin materials with suppressed dipolar order at low temperatures. Here, we report neutron-scattering experiments and quantitative theoretical modeling of an exceptional spin-1 system -- the uniaxial triangular magnet FeI2 -- where a bright and dispersive band of mixed dipolar-quadrupolar fluctuations emerges just above a dipolar ordered ground-state. This excitation arises from anisotropic exchange interactions that hybridize overlapping modes carrying fundamentally different quantum numbers. Remarkably, a generalization of spin-wave theory to local SU(3) degrees of freedom accounts for all details of the low-energy dynamical response of FeI2 without going beyond quadratic order. Our work highlights that quantum excitations without classical counterparts can be realized even in presence of fully developed magnetic order.

cond-mat.str-el↗

arXiv2019

Learning to Localize: A 3D CNN Approach to User Positioning in Massive MIMO-OFDM Systems

In this paper, we consider the user positioning problem in the massive multiple-input multiple-output (MIMO) orthogonal frequency-division multiplexing (OFDM) system with a uniform planner antenna (UPA) array. Taking advantage of the UPA array geometry and wide bandwidth, we advocate the use of the angle-delay channel power matrix (ADCPM) as a new type of fingerprint to replace the traditional ones. The ADCPM embeds the stable and stationary multipath characteristics, e.g. delay, power, and angle in the vertical and horizontal directions, which are beneficial to positioning. Taking ADCPM fingerprints as the inputs, we propose a novel three-dimensional (3D) convolution neural network (CNN) enabled learning method to localize users' 3D positions. In particular, such a 3D CNN model consists of a convolution refinement module to refine the elementary feature maps from the ADCPM fingerprints, three extended Inception modules to extract the advanced feature maps, and a regression module to estimate the 3D positions. By intensive simulations, the proposed 3D CNN-enabled positioning method is demonstrated to achieve higher positioning accuracy than the traditional searching-based ones, with reduced computational complexity and storage overhead, and the ADCPM fingerprints are more robust to noise contamination.

eess.SP↗

arXiv2019

Superintegrable Systems on 3 Dimensional Conformally Flat Spaces

We consider Hamiltonians associated with 3 dimensional conformally flat spaces, possessing 2, 3 and 4 dimensional isometry algebras. We use the conformal algebra to build additional {\em quadratic} first integrals, thus constructing a large class of superintegrable systems and the complete Poisson algebra of first integrals. We then use the isometries to reduce our systems to 2 degrees of freedom. For each isometry algebra we give a {\em universal} reduction of the corresponding general Hamiltonian. The superintegrable specialisations reduce, in this way, to systems of Darboux-Koenigs type, whose integrals are reductions of those of the 3 dimensional system.

nlin.SI↗

arXiv2019

A general Lewis acidic etching route for preparing MXenes with enhanced electrochemical performance in non-aqueous electrolyte

Two-dimensional carbides and nitrides of transition metals, known as MXenes, are a fast-growing family of 2D materials that draw attention as energy storage materials. So far, MXenes are mainly prepared from Al-containing MAX phases (where A = Al) by Al dissolution in F-containing solution, but most other MAX phases have not been explored. Here, a redox-controlled A-site-etching of MAX phases in Lewis acidic melts is proposed and validated by the synthesis of various MXenes from unconventional MAX phase precursors with A elements Si, Zn, and Ga. A negative electrode of Ti3C2 MXene material obtained through this molten salt synthesis method delivers a Li+ storage capacity up to 738 C g-1 (205 mAh g-1) with high-rate performance and pseudocapacitive-like electrochemical signature in 1M LiPF6 carbonate-based electrolyte. MXene prepared from this molten salt synthesis route offer opportunities as high-rate negative electrode material for electrochemical energy storage applications.

physics.app-ph↗

arXiv2019

Multielemental single-atom-thick A layers in nanolaminated V2(Sn, A)C (A=Fe, Co, Ni, Mn) for tailoring magnetic properties

Tailoring of individual single-atom-thick layers in nanolaminated materials offers atomic-level control over material properties. Nonetheless, multielement alloying in individual atomic layers in nanolaminates is largely unexplored. Here, we report a series of inherently nanolaminated V2(A'xSn1-x)C (A'=Fe, Co, Ni and Mn, and combinations thereof, with x=1/3) synthesized by an alloy-guided reaction. The simultaneous occupancy of the four magnetic elements and Sn, the individual single-atom-thick A layers in the compound constitute high-entropy-alloy analogues, two-dimensional in the sense that the alloying exclusively occurs in the A layers. V2(A'xSn1-x)C exhibit distinct ferromagnetic behavior that can be compositionally tailored from the multielement A-layer alloying. This two-dimensional alloying provides a structural-design route with expanded chemical space for discovering materials and exploit properties.

cond-mat.mtrl-sci↗

arXiv2019

Synthesis of MAX Phases Nb2CuC and Ti2(Al0.1Cu0.9)N by A-site Replacement Reaction in Molten Salts

New MAX phases Ti2(AlxCu1-x)N and Nb2CuC were synthesized by A-site replacement by reacting Ti2AlN and Nb2AlC, respectively, with CuCl2 or CuI molten salt. X-ray diffraction, scanning electron microscopy, and atomically-resolved scanning transmission electron microscopy showed complete A-site replacement in Nb2AlC, which lead to formation of Nb2CuC. However, the replacement of Al in Ti2AlN phase was only close to complete at Ti2(Al0.1Cu0.9)N. Density-functional theory calculations corroborated the structural stability of Nb2CuC and Ti2CuN phases. Moreover, the calculated cleavage energy in these Cu-containing MAX phases are weaker than in their Al-containing counterparts, indicating that they are precursor candidates for MXene derivation.

cond-mat.mtrl-sci↗

arXiv2019

Generalised Darboux-Koenigs Metrics and 3-Dimensional Superintegrable Systems

The Darboux-Koenigs metrics in 2D are an important class of conformally flat, non-constant curvature metrics with a single Killing vector and a pair of quadratic Killing tensors. In [arXiv:1804.06904] it was shown how to derive these by using the conformal symmetries of the 2D Euclidean metric. In this paper we consider the conformal symmetries of the 3D Euclidean metric and similarly derive a large family of conformally flat metrics possessing between 1 and 3 Killing vectors (and therefore not constant curvature), together with a number of quadratic Killing tensors. We refer to these as generalised Darboux-Koenigs metrics. We thus construct multi-parameter families of super-integrable systems in 3 degrees of freedom. Restricting the parameters increases the isometry algebra, which enables us to fully determine the Poisson algebra of first integrals. This larger algebra of isometries is then used to reduce from 3 to 2 degrees of freedom, obtaining Darboux-Koenigs kinetic energies with potential functions, which are specific cases of the known super-integrable potentials.

nlin.SI↗

arXiv2019

Element Replacement Approach by Reaction with Lewis Acidic Molten Salts to Synthesize Nanolaminated MAX Phases and MXenes

Nanolaminated materials are important because of their exceptional properties and wide range of applications. Here, we demonstrate a general approach to synthesize a series of Zn-based MAX phases and Cl-terminated MXenes originating from the replacement reaction between the MAX phase and the late transition metal halides. The approach is a top-down route that enables the late transitional element atom (Zn in the present case) to occupy the A site in the pre-existing MAX phase structure. Using this replacement reaction between Zn element from molten ZnCl2 and Al element in MAX phase precursors (Ti3AlC2, Ti2AlC, Ti2AlN, and V2AlC), novel MAX phases Ti3ZnC2, Ti2ZnC, Ti2ZnN, and V2ZnC were synthesized. When employing excess ZnCl2, Cl terminated MXenes (such as Ti3C2Cl2 and Ti2CCl2) were derived by a subsequent exfoliation of Ti3ZnC2 and Ti2ZnC due to the strong Lewis acidity of molten ZnCl2. These results indicate that A-site element replacement in traditional MAX phases by late transition metal halides opens the door to explore MAX phases that are not thermodynamically stable at high temperature and would be difficult to synthesize through the commonly employed powder metallurgy approach. In addition, this is the first time that exclusively Cl-terminated MXenes were obtained, and the etching effect of Lewis acid in molten salts provides a green and viable route to prepare MXenes through an HF-free chemical approach.

cond-mat.mtrl-sci↗

arXiv2018

Superdislocations and point defects in pyrochlore Yb2Ti2O7 single crystals and implication on magnetic ground states

This study reports atomic-scale characterization of structural defects in Yb2Ti2O7, a pyrochlore oxide whose subtle magnetic interactions is prone to small perturbations. Due to discrepancies in the reported magnetic ground states, it has become a pressing issue to determine the nature of defects in this system. In the present study, we use atomic resolution scanning transmission electron microscopy techniques to identify the type of defects in the ytterbium titanate single crystals grown by the conventional optical floating zone (FZ) method. In addition to the known point defects of substitution Yb on Ti B-sites, extended defects such as dissociated superdislocations and anti-phase boundaries were discovered for the first time in this material. Such defects were prevalently observed in the FZ grown single crystals (of a darker color), in contrast to the stoichiometric white polycrystalline powders or high quality colorless single crystals grown by the traveling solvent floating zone (TSFZ) technique. The lattice strains from these extended defects result in distortions of Yb-tetrahedron. A change of Ti valance was not detected at the defects. Our findings provide new insights into understanding the nature of defects that are of great importance for the physical property studies of geometrically frustrated compounds. Furthermore, this work sheds light on the complicated core structure of superdislocations that have large Burgers vectors in oxides with complex unit cells.

cond-mat.str-el↗

arXiv2018

Poisson Algebras and 3D Superintegrable Hamiltonian Systems

Using a Poisson bracket representation, in 3D, of the Lie algebra $\mathfrak{sl}(2)$, we first use highest weight representations to embed this into larger Lie algebras. These are then interpreted as symmetry and conformal symmetry algebras of the "kinetic energy", related to the quadratic Casimir function. We then consider the potentials which can be added, whilst remaining integrable, leading to families of separable systems, depending upon arbitrary functions of a single variable. Adding further integrals, in the superintegrable case, restricts these functions to specific forms, depending upon a finite number of arbitrary parameters. The Poisson algebras of these superintegrable systems are studied. The automorphisms of the symmetry algebra of the kinetic energy are extended to the full Poisson algebra, enabling us to build the full set of Poisson relations.

nlin.SI↗

arXiv2017

Theoretical studies on the impact of point defect on the structures of different uranium silicides

The structures, point defects and impacts of fission products for U3Si (\b{eta}-U3Si and γ-U3Si) and USi2 (α-USi2 and \b{eta}-USi2) are studied by first-principles calculations. The lattice parameters of U3Si and USi2 are calculated and the stability of different types of point defects is predicted by their formation energies. The results show that silicon vacancies are more prone to be produced than uranium vacancies in \b{eta}-USi2 matrix, while uranium vacancies are the most stable defects of other three types of crystallographic structures. The most favorable sites of fission products (strontium, barium, cerium and neodymium) are determined in this work as well. By calculating incorporation energies of fission products, we demonstrate that the uranium site is the most favored for all the fissions products. Comparing the structural changes influenced by different fission products, it is also found that the highest volume change is caused by barium interstitials. According to the current data, rare earth elements cerium and neodymium are found to be more stable than alkaline earth metals strontium and barium in a given nuclear matrix. Finally, it is also determined that in USi2 crystal lattice fission products tend to be stabilized in uranium substitution sites, while they are likely to form precipitates from the U3Si matrix. It is expected that this work may provide new insight into the mechanism for structural evolutions of silicide nuclear fuels in a reactor.

nucl-th↗

arXiv2016

Saturation of ion irradiation effects in Cr2AlC

Cr2AlC materials were irradiated with 7 MeV Xe26+ ions and 500 keV He2+ ions at room temperature. A structural transition with an increased c lattice parameter and a decreased a lattice parameter occurs after irradiation to doses above 1 dpa. Nevertheless, the modified structure is stable up to the dose of 5.2 dpa without obvious lattice disorder. The three samples irradiated to doses above 1 dpa have comparable lattice parameters and hardness values, suggesting a saturation of irradiation effects in Cr2AlC. The structural transition and irradiation effects saturation are ascribed to irradiation-induced antisite defects (CrAl and AlCr) and C interstitials, which is supported by the calculations of the formation energies of various defects in Cr2AlC. The irradiation-induced antisite defects and C interstitials may be critical to understand the excellent resistance to irradiation-induced amorphization of MAX phases.

cond-mat.mtrl-sci↗

arXiv2015

The thermal and electrical properties of the promising semiconductor MXene Hf2CO2

In this work, we investigate the thermal and electrical properties of oxygen-functionalized M2CO2 (M = Ti, Zr, Hf) MXenes using first-principles calculations. Hf2CO2 is found to exhibit a thermal conductivity better than MoS2 and phosphorene. The room temperature thermal conductivity along the armchair direction is determined to be 86.25-131.2 Wm-1K-1 with a flake length of 5-100 um, and the corresponding value in the zigzag direction is approximately 42% of that in the armchair direction. Other important thermal properties of M2CO2 are also considered, including their specific heat and thermal expansion coefficients. The theoretical room temperature thermal expansion coefficient of Hf2CO2 is 6.094x10-6 K-1, which is lower than that of most metals. Moreover, Hf2CO2 is determined to be a semiconductor with a band gap of 1.657 eV and to have high and anisotropic carrier mobility. At room temperature, the Hf2CO2 hole mobility in the armchair direction (in the zigzag direction) is determined to be as high as 13.5x103 cm2V-1s-1 (17.6x103 cm2V-1s-1), which is comparable to that of phosphorene. Broader utilization of Hf2CO2 as a material for nanoelectronics is likely because of its moderate band gap, satisfactory thermal conductivity, low thermal expansion coefficient, and excellent carrier mobility. The corresponding thermal and electrical properties of Ti2CO2 and Zr2CO2 are also provided here for comparison. Notably, Ti2CO2 presents relatively low thermal conductivity and much higher carrier mobility than Hf2CO2, which is an indication that Ti2CO2 may be used as an efficient thermoelectric material.

cond-mat.mtrl-sci↗