arXiv subjects

Zhen Zhu

Publications and source records attributed to Zhen Zhu.

At least 73 records · Page 4Linked to original sources

arXiv2017

Fundamental Band Gap and Alignment of Two-Dimensional Semiconductors Explored by Machine Learning

Two-dimensional (2D) semiconductors isoelectronic to phosphorene has been drawing much attention recently due to their promising applications for next-generation (opt)electronics. This family of 2D materials contains more than 400 members, including (a) elemental group-V materials, (b) binary III-VII and IV-VI compounds, (c) ternary III-VI-VII and IV-V-VII compounds, making materials design with targeted functionality unprecedentedly rich and extremely challenging. To shed light on rational functionality design with this family of materials, we systemically explore their fundamental band gaps and alignments using hybrid density functional theory (DFT) in combination with machine learning. First, GGA-PBE and HSE calculations are performed as a reference. We find this family of materials share similar crystalline structures, but possess largely distributed band-gap values ranging approximately from 0 to 8 eV. Then, we apply machine learning methods, including Linear Regression (LR), Random Forest Regression (RFR), and Support Vector Machine Regression (SVR), to build models for prediction of electronic properties. Among these models, SVR is found to have the best performance, yielding the root mean square error (RMSE) less than 0.15 eV for predicted band gaps, VBMs, and CBMs when both PBE results and elemental information are used as features. Thus, we demonstrate machine learning models are universally suitable for screening 2D isoelectronic systems with targeted functionality and especially valuable for the design of alloys and heterogeneous systems.

cond-mat.mes-hall↗

arXiv2017

Auto-Encoder Guided GAN for Chinese Calligraphy Synthesis

In this paper, we investigate the Chinese calligraphy synthesis problem: synthesizing Chinese calligraphy images with specified style from standard font(eg. Hei font) images (Fig. 1(a)). Recent works mostly follow the stroke extraction and assemble pipeline which is complex in the process and limited by the effect of stroke extraction. We treat the calligraphy synthesis problem as an image-to-image translation problem and propose a deep neural network based model which can generate calligraphy images from standard font images directly. Besides, we also construct a large scale benchmark that contains various styles for Chinese calligraphy synthesis. We evaluate our method as well as some baseline methods on the proposed dataset, and the experimental results demonstrate the effectiveness of our proposed model.

cs.CV↗

arXiv2017

How the huge energy of quantum vacuum gravitates to drive the slow accelerating expansion of the Universe

We investigate the gravitational property of the quantum vacuum by treating its large energy density predicted by quantum field theory seriously and assuming that it does gravitate to obey the equivalence principle of general relativity. We find that the quantum vacuum would gravitate differently from what people previously thought. The consequence of this difference is an accelerating universe with a small Hubble expansion rate $H\propto Λe^{-β\sqrt{G}Λ}\to 0$ instead of the previous prediction $H=\sqrt{8πGρ^{vac}/3}\propto\sqrt{G}Λ^2\to\infty$ which was unbounded, as the high energy cutoff $Λ$ is taken to infinity. In this sense, at least the "old" cosmological constant problem would be resolved. Moreover, it gives the observed slow rate of the accelerating expansion as $Λ$ is taken to be some large value of the order of Planck energy or higher. This result suggests that there is no necessity to introduce the cosmological constant, which is required to be fine tuned to an accuracy of $10^{-120}$, or other forms of dark energy, which are required to have peculiar negative pressure, to explain the observed accelerating expansion of the Universe.

gr-qc↗

arXiv2017

The Indirect Effects of FDI on Trade: A Network Perspective

The relationship between international trade and foreign direct investment (FDI) is one of the main features of globalization. In this paper we investigate the effects of FDI on trade from a network perspective, since FDI takes not only direct but also indirect channels from origin to destination countries because of firms' incentive to reduce tax burden, to minimize coordination costs, and to break barriers to market entry. We use a unique data set of international corporate control as a measure of stock FDI to construct a corporate control network (CCN) where the nodes are the countries and the edges are the corporate control relationships. Based on the CCN, the network measures, i.e., the shortest path length and the communicability, are computed to capture the indirect channel of FDI. Empirically we find that corporate control has a positive effect on trade both directly and indirectly. The result is robust with different specifications and estimation strategies. Hence, our paper provides strong empirical evidence of the indirect effects of FDI on trade. Moreover, we identify a number of interplaying factors such as regional trade agreements and the region of Asia. We also find that the indirect effects are more pronounced for manufacturing sectors than for primary sectors such as oil extraction and agriculture.

q-fin.GN↗

arXiv2016

Two-dimensional phosphorus carbide: Competition between sp2 and sp3 bonding

We propose previously unknown allotropes of phosphorus carbide (PC) in the stable shape of an atomically thin layer. Different stable geometries, which result from the competition between sp2 bonding found in graphitic C and sp3 bonding found in black P, may be mapped onto 2D tiling patterns that simplify categorizing of the structures. Depending on the category, we identify 2D-PC structures that can be metallic, semi-metallic with an anisotropic Dirac cone, or direct-gap semiconductors with their gap tunable by in-layer strain.

cond-mat.mtrl-sci↗

arXiv2016

Method of Tibetan Person Knowledge Extraction

Person knowledge extraction is the foundation of the Tibetan knowledge graph construction, which provides support for Tibetan question answering system, information retrieval, information extraction and other researches, and promotes national unity and social stability. This paper proposes a SVM and template based approach to Tibetan person knowledge extraction. Through constructing the training corpus, we build the templates based the shallow parsing analysis of Tibetan syntactic, semantic features and verbs. Using the training corpus, we design a hierarchical SVM classifier to realize the entity knowledge extraction. Finally, experimental results prove the method has greater improvement in Tibetan person knowledge extraction.

cs.CL↗

arXiv2016

Gas phase synthesis of non-bundled, small diameter single-walled carbon nanotubes with near-armchair chiralities

We present a novel floating catalyst synthesis route for individual, i.e. non-bundled, small diameter single-walled carbon nanotubes (SWCNTs) with a narrow chiral angle distribution peaking at high chiralities near the armchair species. An ex situ spark discharge generator was used to form iron particles with geometric number mean diameters of 3-4 nm and fed into a laminar flow chemical vapour deposition reactor for the continuous synthesis of long and high-quality SWCNTs from ambient pressure carbon monoxide. The intensity ratio of G/D peaks in Raman spectra up to 48 and mean tube lengths up to 4 microns were observed. The chiral distributions, as directly determined by electron diffraction in the transmission electron microscope, clustered around the (n,m) indices (7,6), (8,6), (8,7) and (9,6), with up to 70% of tubes having chiral angles over 20°. The mean diameter of SWCNTs was reduced from 1.10 to 1.04 nm by decreasing the growth temperature from 880 to 750 °C, which simultaneously increased the fraction of semiconducting tubes from 67 to 80%. Limiting the nanotube gas phase number concentration to approx. 100 000 per cubic centimetre successfully prevented nanotube bundle formation that is due to collisions induced by Brownian diffusion. Up to 80 % of 500 as-deposited tubes observed by atomic force and transmission electron microscopy were individual. Transparent conducting films deposited from these SWCNTs exhibited record low sheet resistances of 63 Ohms/sq. at 90 % transparency for 550 nm light.

cond-mat.mes-hall↗

arXiv2015

The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus

An outstanding challenge of theoretical electronic structure is the description of van der Waals (vdW) interactions in molecules and solids. Renewed interest in resolving this is in part motivated by the technological promise of layered systems including graphite, transition metal dichalcogenides, and more recently, black phosphorus, in which the interlayer interaction is widely believed to be dominated by these types of forces. We report a series of quantum Monte Carlo (QMC) calculations for bulk black phosphorus and related few-layer phosphorene, which elucidate the nature of the forces that bind these systems and provide benchmark data for the energetics of these systems. We find a significant charge redistribution due to the interaction between electrons on adjacent layers. Comparison to density functional theory (DFT) calculations indicate not only wide variability even among different vdW corrected functionals, but the failure of these functionals to capture the trend of reorganization predicted by QMC. The delicate interplay of steric and dispersive forces between layers indicate that few-layer phosphorene presents an unexpected challenge for the development of vdW corrected DFT.

cond-mat.mtrl-sci↗

arXiv2015

The Similarity of Global Value Chains: A Network-Based Measure

International trade has been increasingly organized in the form of global value chains (GVCs) where different stages of production are located in different countries. This recent phenomenon has substantial consequences for both trade policy design at the national or regional level and business decision making at the firm level. In this paper, we provide a new method for comparing GVCs across countries and over time. First, we use the World Input-Output Database (WIOD) to construct both the upstream and downstream global value networks, where the nodes are individual sectors in different countries and the links are the value-added contribution relationships. Second, we introduce a network-based measure of node similarity to compare the GVCs between any pair of countries for each sector and each year available in the WIOD. Our network-based similarity is a better measure for node comparison than the existing ones because it takes into account all the direct and indirect relationships between country-sector pairs, is applicable to both directed and weighted networks with self-loops, and takes into account externally defined node attributes. As a result, our measure of similarity reveals the most intensive interactions among the GVCs across countries and over time. From 1995 to 2011, the average similarity between sectors and countries have clear increasing trends, which are temporarily interrupted by the recent economic crisis. This measure of the similarity of GVCs provides quantitative answers to important questions about dependency, sustainability, risk, and competition in the global production system.

physics.soc-ph↗

arXiv2015

Structural Transition in Layered As$_{\sf\textbf{1-x}}$P$_{\sf\textbf{x}}$ Compounds: A Computational Study

As a way to further improve the electronic properties of group V layered semiconductors, we propose to form in-layer 2D heterostructures of black phosphorus and grey arsenic. We use \textit{ab initio} density functional theory to optimize the geometry, determine the electronic structure, and identify the most stable allotropes as a function of composition. Since pure black phosphorus and pure grey arsenic monolayers differ in their equilibrium structure, we predict a structural transition and a change in frontier states, including a change from a direct-gap to an indirect-gap semiconductor, with changing composition.

cond-mat.mes-hall↗

arXiv2015

Designing isoelectronic counterparts to layered group V semiconductors

In analogy to III-V compounds, which have significantly broadened the scope of group IV semiconductors, we propose IV-VI compounds as isoelectronic counterparts to layered group V semiconductors. Using {\em ab initio} density functional theory, we study yet unrealized structural phases of silicon mono-sulfide (SiS). We find the black-phosphorus-like $α$-SiS to be almost equally stable as the blue-phosphorus-like $β$-SiS. Both $α$-SiS and $β$-SiS monolayers display a significant, indirect band gap that depends sensitively on the in-layer strain. Unlike 2D semiconductors of group V elements with the corresponding nonplanar structure, different SiS allotropes show a strong polarization either within or normal to the layers. We find that SiS may form both lateral and vertical heterostructures with phosphorene at a very small energy penalty, offering an unprecedented tunability in structural and electronic properties of SiS-P compounds.

cond-mat.mtrl-sci↗

arXiv2015

Simulated scanning tunneling microscopy images of few-layer-phosphorus capped by graphene and hexagonal boron nitride monolayers

Elemental phosphorous is believed to have several stable allotropes that are energetically nearly degenerate, but chemically reactive. To prevent chemical degradation under ambient conditions, these structures may be capped by monolayers of hexagonal boron nitride ({\em h}-BN) or graphene. We perform {\em ab initio} density functional calculations to simulate scanning tunneling microscopy (STM) images of different layered allotropes of phosphorus and study the effect of capping layers on these images. We find that protective monolayers of insulating {\em h}-BN allow to distinguish between the different structural phases of phosphorus underneath, even though the images are filtered through only nitrogen atoms that appear transparent. No such distinction is possible for phosphorus films capped by semimetallic graphene that masks the underlying structure. Our results suggest that the real-space imaging capability of STM is not hindered by selected capping layers that protect phosphorus surfaces.

cond-mat.mes-hall↗

arXiv2015

Relative Stability and Local Curvature Analysis in Carbon Nanotori

We introduce a concise formalism to characterize nanometer-sized tori based on carbon nanotubes and to determine their stability by combining {\em ab initio} density functional calculations with a continuum elasticity theory approach that requires only shape information. We find that the high strain energy in nanotori containing only hexagonal rings is significantly reduced in nanotori containing also other polygons. Our approach allows to determine local curvature and link it to local strain energy, which is correlated with local stability and chemical reactivity.

cond-mat.mes-hall↗

arXiv2015

Electronic Structure and Transport in Graphene/Haeckelite Hybrids: An {\em Ab Initio} Study

We combine {\em ab initio} density functional theory (DFT) structural studies with DFT-based nonequilibrium Green function calculations to investigate how the presence of non-hexagonal rings affects electronic transport in graphitic structures. We find that infinite monolayers, finite-width nanoribbons and nanotubes formed of 5-8 haeckelite with only 5- and 8-membered rings are generally more conductive than their graphene-based counterparts. Presence of haeckelite defect lines in the perfect graphitic structure, a model of grain boundaries in CVD-grown graphene, increases the electronic conductivity and renders it highly anisotropic.

cond-mat.mes-hall↗

arXiv2015

Building Mini-Categories in Product Networks

We constructed a product network based on the sales data collected and provided by a Fortune 500 speciality retailer. The structure of the network is dominated by small isolated components, dense clique-based communities, and sparse stars and linear chains and pendants. We used the identified structural elements (tiles) to organize products into mini-categories -- compact collections of potentially complementary and substitute items. The mini-categories extend the traditional hierarchy of retail products (group - class - subcategory) and may serve as building blocks towards exploration of consumer projects and long-term customer behavior.

cs.SI↗

arXiv2014

Global Value Trees

The fragmentation of production across countries has become an important feature of the globalization in recent decades and is often conceptualized by the term, global value chains (GVCs). When empirically investigating the GVCs, previous studies are mainly interested in knowing how global the GVCs are rather than how the GVCs look like. From a complex networks perspective, we use the World Input-Output Database (WIOD) to study the global production system. We find that the industry-level GVCs are indeed not chain-like but are better characterized by the tree topology. Hence, we compute the global value trees (GVTs) for all the industries available in the WIOD. Moreover, we compute an industry importance measure based on the GVTs and compare it with other network centrality measures. Finally, we discuss some future applications of the GVTs.

q-fin.GN↗

arXiv2014

Tiling Phosphorene

We present a scheme to categorize the structure of different layered phosphorene allotropes by mapping their non-planar atomic structure onto a two-color 2D triangular tiling pattern. In the buckled structure of a phosphorene monolayer, we assign atoms in "top" positions to dark tiles and atoms in "bottom" positions to light tiles. Optimum $sp^3$ bonding is maintained throughout the structure when each triangular tile is surrounded by the same number $N$ of like-colored tiles, with $0{\le}N{\le}2$. Our ab initio density functional calculations indicate that both the relative stability and electronic properties depend primarily on the structural index $N$. The proposed mapping approach may also be applied to phosphorene structures with non-hexagonal rings and 2D quasicrystals with no translational symmetry, which we predict to be nearly as stable as the hexagonal network.

physics.comp-ph↗

arXiv2014

Local curvature and stability of two-dimensional systems

We propose a fast method to determine the local curvature in two-dimensional (2D) systems with arbitrary shape. The curvature information, combined with elastic constants obtained for a planar system, provides an accurate estimate of the local stability in the framework of continuum elasticity theory. Relative stabilities of graphitic structures including fullerenes, nanotubes and schwarzites, as well as phosphorene nanotubes, calculated using this approach, agree closely with ab initio density functional calculations. The continuum elasticity approach can be applied to all 2D structures and is particularly attractive in complex systems with known structure, where the quality of parameterized force fields has not been established.

cond-mat.mtrl-sci↗