arXiv subjects

Zhigang Song

Publications and source records attributed to Zhigang Song.

At least 37 records · Page 2Linked to original sources

arXiv2020

Valley pseudospin in monolayer MoSi2N4 and MoSi2As4

For a long time, two-dimensional (2D) hexagonal MoS2 was proposed as a promising material for valleytronic system. However, the limited size of growth and low carrier motilities in MoS2 restrict its further application. Very recently, a new kind of hexagonal 2D MXene, MoSi2N4, was successfully synthesized with large size, excellent ambient stability, and considerable hole mobility. In this paper, based on the first-principles calculations, we predict that the valley-contrast properties can be realized in monolayer MoSi2N4 and its derivative MoSi2As4. Beyond the traditional two-level valleys, the valleys in monolayer MoSi2As4 are multiple-folded, implying a new valley dimension. Such multiple-folded valleys can be described by a three-band low-power Hamiltonian. This study presents the theoretical advance and the potential applications of monolayer MoSi2N4 and MoSi2As4 in valleytronic devices, especially multiple information processing.

cond-mat.mtrl-sci↗

arXiv2020

Strain effects on Phase-Filling Singularities in Highly Doped n-Type Ge

Recently, Chi Xu et al. predicted the phase-filling singularities (PFS) in the optical dielectric function (ODF) of the highly doped $n$-type Ge and confirmed in experiment the PFS associated $E_{1}+Δ_{1}$ transition by advanced \textit{in situ} doping technology [Phys. Rev. Lett. 118, 267402 (2017)], but the strong overlap between $E_{1}$ and $E_{1}+Δ_{1}$ optical transitions made the PFS associated $E_{1}$ transition that occurs at the high doping concentration unobservable in their measurement. In this work, we investigate the PFS of the highly doped n-type Ge in the presence of the uniaxial and biaxial tensile strain along [100], [110] and [111] crystal orientation. Compared with the relaxed bulk Ge, the tensile strain along [100] increases the energy separation between the $E_{1}$ and $E_{1}+Δ_{1}$ transition, making it possible to reveal the PFS associated $E_{1}$ transition in optical measurement. Besides, the application of tensile strain along [110] and [111] offers the possibility of lowering the required doping concentration for the PFS to be observed, resulting in new additional features associated with $E_{1}+Δ_{1}$ transition at inequivalent $L$-valleys. These theoretical predications with more distinguishable optical transition features in the presence of the uniaxial and biaxial tensile strain can be more conveniently observed in experiment, providing new insights into the excited states in heavily doped semiconductors.

cond-mat.mtrl-sci↗

arXiv2019

CAMEL: A Weakly Supervised Learning Framework for Histopathology Image Segmentation

Histopathology image analysis plays a critical role in cancer diagnosis and treatment. To automatically segment the cancerous regions, fully supervised segmentation algorithms require labor-intensive and time-consuming labeling at the pixel level. In this research, we propose CAMEL, a weakly supervised learning framework for histopathology image segmentation using only image-level labels. Using multiple instance learning (MIL)-based label enrichment, CAMEL splits the image into latticed instances and automatically generates instance-level labels. After label enrichment, the instance-level labels are further assigned to the corresponding pixels, producing the approximate pixel-level labels and making fully supervised training of segmentation models possible. CAMEL achieves comparable performance with the fully supervised approaches in both instance-level classification and pixel-level segmentation on CAMELYON16 and a colorectal adenoma dataset. Moreover, the generality of the automatic labeling methodology may benefit future weakly supervised learning studies for histopathology image analysis.

eess.IV↗

arXiv2019

Measuring outcome correlation for spin-s Bell cat-state and geometric phase induced spin parity effect

In terms of quantum probability statistics the Bell inequality (BI) and its violation are extended to spin-$s$ entangled Schrödinger cat-state (called the Bell cat-state) with both parallel and antiparallel spin-polarizations. The BI is never ever violated for the measuring outcome probabilities evaluated over entire two-spin Hilbert space except the spin-$1/2$ entangled states. A universal Bell-type inequality (UBI) denoted by $p_{s}^{lc}\leq0$ is formulated with the local realistic model under the condition that the measuring outcomes are restricted in the subspace of spin coherent states. A spin parity effect is observed that the UBI can be violated only by the Bell cat-states of half-integer but not the integer spins. The violation of UBI is seen to be a direct result of non-trivial Berry phase between the spin coherent states of south- and north-pole gauges for half-integer spin, while the geometric phase is trivial for the integer spins. A maximum violation bound of UBI is found as $p_{s}^{\max}$=1, which is valid for arbitrary half-integer spin-$s$ states.

quant-ph↗

arXiv2019

Band structure of Ge$_{1-x}$Sn$_{x}$alloy: a full-zone 30-band $k$$\cdot$$p$ model

A full-zone 30-band $k$$\cdot$$p$ model is developed as an efficient and reliable tool to compute electronic band structure in Ge$_{1-x}$Sn$_{x}$ alloy. The model was first used to reproduce the electronic band structures in Ge and $α$-Sn obtained with empirical tight binding and \textit{ab initio} methods. Input parameters for the 30-band $k$$\cdot$$p$ model are carefully calibrated against prior empirical predications and experimental data. Important material properties such as effective mass for electrons and holes, Luttinger parameters, and density of states are obtained for Ge$_{1-x}$Sn$_{x}$ alloy with the composition range $0<x<0.3$. The 30-band $k$$\cdot$$p$ model that requires far less computing resources is a necessary capability for optimization of sophisticated devices made from Ge$_{1-x}$Sn$_{x}$ alloy with a large parameter space to explore.

physics.app-ph↗

arXiv2019

Discovery of Two-Dimensional Multiferroicity in van der Waals CuCrP2S6 Layers

Multiferroic materials are potential to be applied in novel magnetoelectric devices, for example, high-density non-volatile storage. Last decades, research on multiferroic materials was focused on three-dimensional (3D) materials. However, 3D materials suffer from the dangling bonds and quantum tunneling in the nano-scale thin films. Two-dimensional (2D) materials might provide an elegant solution to these problems, and thus are highly on demand. Using first-principles calculations, we predict ferromagnetism and driven ferroelectricity in the monolayer and even a few-layers of CuCrP2S6. Although the total energy of the ferroelectric phase of monolayer is higher than that of the antiferroelectric phase, the ferroelectric phases can be realized by applying a large electric field. Besides the degrees of freedoms in the common multiferroic materials, the valley degree of freedom is also polarized according to our calculations. The spins, electric dipoles and valleys are coupled with each other as shown in the computational results. In experiment, we observe the out-of-plane ferroelectricity in a few-layer CuCrP2S6 (approximately 13 nm thick) at room temperature. 2D ferromagnetism of few-layers is inferred from magnetic hysteresis loops of the massively stacked nanosheets at 10 K. The experimental observations support our calculation very well. Our findings may provide a series of 2D materials for further device applications.

cond-mat.mtrl-sci↗

arXiv2018

Sharp selective scattering of red, green and blue light achieved via gain material's loss compensation

For a transparent projection screen based on metallic nanoparticle's localized surface plasmon resonance (LSPR), in the ideal case the metallic nanoparticles dispersed in a transparent matrix only selectively scatter red, green and blue light and transmit the visible light of other colours. However, metal's optical loss and size effect at nanoscale degenerate the desired performance by broadening the resonance peak width and increasing the absorption ratio. In this work, it is shown that the problem can be solved by introducing gain material. Numerical simulations are performed on nanostructures based on silver (Ag), gold (Au) or aluminium (Al) with or without gain material, to examine the effect of gain material and to search for suitable structures for sharp selective scattering of red, green and blue light. And it is found that introducing gain material greatly improves performance of the structures based on Ag or Au except the structures based on Al. The most suitable structures for sharp selective scattering of red, green and blue light are respectively found to be the core-shell structures of silica@Au, silica@Ag and Ag@silica, all with gain material.

physics.app-ph↗

arXiv2018

Extended Bell inequality and maximum violation

The original formula of Bell inequality (BI) in terms of two-spin singlet has to be modified for the entangled-state with parallel spin polarization. Based on classical statistics of the particle-number correlation, we prove in this paper an extended BI, which is valid for two-spin entangled states with both parallel and antiparallel polarizations. The BI and its violation can be formulated in a unified formalism based on the spin coherent-state quantum probability statistics with the state-density operator, which is separated to the local and non-local parts. The local part gives rise to the BI, while the violation is a direct result of the non-local quantum interference between two components of entangled state. The Bell measuring outcome correlation denoted by $P_{B}$ is always less than or at most equal to one for the local realistic model ($P_{B}^{lc}\leq1$) regardless of the specific superposition coefficients of entangled state. Including the non-local quantum interference the maximum violation of BI is found as $P_{B}^{\max}$ $=2$, which, however depends on state parameters and three measuring directions as well. Our result is suitable for entangled photon pairs.

quant-ph↗

arXiv2018

Maximum violation of Wigner inequality for two-spin entangled states with parallel and antiparallel polarizations

The experimental test of Bell's inequality is mainly focused on Clauser-Horne-Shimony-Holt (CHSH) form, which provides a quantitative bound, while little attention has been pained on the violation of Wigner inequality (WI). Based on the spin coherent state quantum probability statistics we in the present paper extend the WI and its violation to arbitrary two-spin entangled states with antiparallel and parallel spin-polarizations. The local part of density operator gives rise to the WI while the violation is a direct result of non-local interference between two components of the entangled states. The Wigner measuring outcome correlation denoted by $W$ is always less than or at most equal to zero for the local realist model ($% W_{lc_{}}\leq 0$) regardless of the specific initial state. On the other hand the violation of\ WI is characterized by any positive value of $W$, which possesses a maximum violation bound $W_{\max }$ $=1/2$. We conclude that the WI is equally convenient for the experimental test of violation by the quantum entanglement.

quant-ph↗

arXiv2018

Non-Superconducting Non-Abelian Statistics in One-Dimensional Topological Insulators

Topological materials are of great interest for applications in quantum computing, providing intrinsic robustness against environmental noises. A popular direction is to look for Majorana modes in integrated systems interfaced with superconducting materials. However, is superconductivity necessary for materials to exhibits non-abelian statistics? Here we predict with strong theoretical and numerical evidences that there exist topologically phases in a class of one-dimensional single crystals, which contain large bandgaps and are within experimental reach. Specifically, the nontrivial Zak phases are associated with gapless boundary states, which provides the non-Abelian statistics required for constructing topologically-protected quantum gates, even without superconductivity and magnetic field. Another anomalous feature of these materials is that the electric polarization is quantized and a transverse field induces a longitudinal polarization. This novel material property provides an experimentally-accessible mechanism for braiding the non-Abelian anyons.

cond-mat.mes-hall↗

arXiv2018

Spontaneous Valley Splitting and Valley Pseudospin Field Effect Transistor of Monolayer VAgP2Se6

Valleytronics is a rising topic to explore the emergent degree of freedom for charge carriers in energy band edges and has attracted a great interest due to many intriguing quantum phenomena and potential application in information processing industry. Creation of permanent valley polarization, i.e. unbalanced occupation at different valleys, is a chief challenge and also urgent question to be solved in valleytronics. Here we predict that the spin-orbit coupling and magnetic ordering allow spontaneous valley Zeeman-type splitting in pristine monolayer of VAgP2Se6 by using first-principles calculations. The Zeeman-type valley splitting can lead to permanent valley polarization after suitable doping. The Zeeman-type valley splitting is similar to the role of spin polarization in spintronics and is a vital requirement for practical devices in valleytronics. The nonequivalent valleys of VAgP2Se6 monolayer can emit or absorb circularly polarized photons with opposite chirality, and thus this material shows a great potential to work as a photonic spin filter and circularly-polarized-light resource. A valley pseudospin field effect transistor (VPFET) is designed based on the monolayer VAgP2Se6 akin to the spin field effect transistors. Beyond common transistors, VPFETs carry information of not only the electrons but also the valley pseudospins.

cond-mat.mtrl-sci↗

arXiv2017

Temperature-dependent Optoelectronic Properties of Quasi-2D Colloidal Cadmium Selenide Nanoplatelets

Colloidal Cadmium Selenide (CdSe) nanoplatelets (NPLs) are a recently developed class of efficient luminescent nanomaterial suitable for optoelectronic device applications. A change in temperature greatly affects their electronic bandstructure and luminescence properties. It is important to understand how-and-why the characteristics of NPLs are influenced, particularly at elevated temperature, where both reversible and irreversible quenching processes come into picture. Here we present a study on the effect of elevated temperature on the characteristics of colloidal CdSe NPLs. We used an effective-mass envelope function theory based 8-band k$\cdot$p model and density-matrix theory considering exciton-phonon interaction. We observed the photoluminescence (PL) spectra at various temperatures for their photon emission energy, PL linewidth and intensity by considering the exciton-phonon interaction with both acoustic and optical phonons using Bose-Einstein statistical factors. With rise in temperature we observed a fall in the transition energy (emission redshift), matrix element, Fermi factor and quasi Fermi separation, with reduction in intraband state gaps and increased interband coupling. Also, there was a fall in the PL intensity, along with spectral broadening due to an intraband scattering effect. The predicted transition energy values and simulated PL spectra at varying temperatures exhibit appreciable consistency with experimental results. Our findings have important implications for application of NPLs in optoelectronic devices, such as NPL lasers and LEDs, operating much above room temperature.

cond-mat.mes-hall↗

arXiv2017

Spin-parity effect in violation of bell's inequalities for entangled states of parallel polarization

Bell inequalities (BIs) derived in terms of quantum probability statistics are extended to general bipartite-entangled states of arbitrary spins with parallel polarization. The original formula of Bell for the two-spin singlet is slightly modified in the parallel configuration, while, the inequality for- mulated by Clauser-Horne-Shimony-Holt remains not changed. The violation of BIs indeed resulted from the quantum non-local correlation for spin-1=2 case. However, the inequalities are always satisfied for the spin-1 entangled states regardless of parallel or antiparallel polarizations of two spins. The spin parity effect originally demonstrated with the antiparallel spin-polarizations (Mod. Phys. Lett. B28, 145004) still exists for the parallel case. The quantum non-locality does not lead to the violation for integer spins due to the cancellation of non-local interference effects by the quantum statistical-average. Again the violation of BIs seems a result of the measurement induced nontrivial Berry-phase for half-integer spins.

quant-ph↗

arXiv2015

Does P-type Ohmic Contact Exist in WSe2-metal Interfaces?

Formation of low-resistance metal contacts is the biggest challenge that masks the intrinsic exceptional electronic properties of 2D WSe2 devices. We present the first comparative study of the interfacial properties between ML/BL WSe2 and Sc, Al, Ag, Au, Pd, and Pt contacts by using ab initio energy band calculations with inclusion of the spin-orbital coupling (SOC) effects and quantum transport simulations. The interlayer coupling tends to reduce both the electron and hole Schottky barrier heights (SBHs) and alters the polarity for WSe2-Au contact, while the SOC chiefly reduces the hole SBH. In the absence of the SOC, Pd contact has the smallest hole SBH with a value no less than 0.22 eV. Dramatically, Pt contact surpasses Pd contact and becomes p-type Ohmic or quasi-Ohmic contact with inclusion of the SOC. Our study provides a theoretical foundation for the selection of favorable metal electrodes in ML/BL WSe2 devices.

cond-mat.mtrl-sci↗

arXiv2015

Monolayer Phosphorene-Metal Interfaces

Recently, phosphorene electronic and optoelectronic prototype devices have been fabricated with various metal electrodes. We systematically explore for the first time the contact properties of monolayer (ML) phosphorene with a series of commonly used metals (Al, Ag. Cu, Au, Cr, Ni, Ti, and Pd) via both ab initio electronic structure calculations and more reliable quantum transport simulations. Strong interactions are found between all the checked metals, with the energy band structure of ML phosphorene destroyed. In terms of the quantum transport simulations, ML phosphorene forms a n-type Schottky contact with Au, Cu, Cr, Al, and Ag electrodes, with electron Schottky barrier heights (SBHs) of 0.30, 0.34, 0.37, 0.51, and 0.52 eV, respectively, and p-type Schottky contact with Ti, Ni, and Pd electrodes, with hole SBHs of 0.30, 0.26, and 0.16 eV, respectively. These results are in good agreement with available experimental data. Our findings not only provide an insight into the ML phosphorene-metal interfaces but also help in ML phosphorene based device design.

cond-mat.mes-hall↗

arXiv2015

Interfacial Properties of Monolayer and Bilayer MoS2 Contacts with Metals: Beyond the Energy Band Calculations

Although many prototype devices based on two-dimensional (2D) MoS2 have been fabricated and wafer scale growth of 2D MoS2 has been realized, the fundamental nature of 2D MoS2-metal contacts has not been well understood yet. We provide a comprehensive ab initio study of the interfacial properties of a series of monolayer (ML) and bilayer (BL) MoS2-metal contacts (metal = Sc, Ti, Ag, Pt, Ni, and Au). A comparison between the calculated and observed Schottky barrier heights (SBHs) suggests that many-electron effects are strongly suppressed in channel 2D MoS2 due to a charge transfer. The extensively adopted energy band calculation scheme fails to reproduce the observed SBHs in 2D MoS2-Sc interface. By contrast, an ab initio quantum transport device simulation better reproduces the observed SBH in the two types of contacts and highlights the importance of a higher level theoretical approach beyond the energy band calculation in the interface study. BL MoS2-metal contacts have a reduced SBH than ML MoS2-metal contacts due to the interlayer coupling and thus have a higher electron injection efficiency.

cond-mat.mes-hall↗

arXiv2014

Quantum spin Hall insulators and quantum valley Hall insulators of BiX/SbX (X = H, F, Cl, and Br) monolayers with a record bulk band gap

Large bulk band gap is critical for application of the quantum spin Hall (QSH) insulator or two dimensional (2D) topological insulator (TI) in spintronic device operating at room temperature (RT). Based on the first-principles calculations, here we predict a group of 2D topological insulators BiX/SbX (X = H, F, Cl, and Br) monolayers with extraordinarily large bulk gaps from 0.32 to a record value of 1.08 eV. These giant-gaps are entirely due to the result of strong spin-orbit interaction related to px and py orbitals of Bi/Sb atoms around the two valley K and K' of honeycomb lattice, which is different significantly from the one consisted of pz orbital just like in graphene/silicene. The topological characteristic of BiX/SbX monolayers is confirmed by the calculated nontrivial Z2 index and an explicit construction of the low energy effective Hamiltonian in these systems. We show that the honeycomb structures of BiX monolayers remain stable even at a temperature of 600 K. These features make the giant-gap TIs BiX/SbX monolayers an ideal platform to realize many exotic phenomena and fabricate new quantum devices operating at RT. Furthermore, biased BiX/SbX monolayers become a quantum valley Hall insulator, showing valley-selective circular dichroism.

cond-mat.mtrl-sci↗

arXiv2014

Tunable Valley Polarization and Valley Orbital Magnetic Moment Hall Effect in Honeycomb Systems with Broken Inversion Symmetry

In this Letter, a tunable valley polarization is investigated for honeycomb systems with broken inversion symmetry such as transition-metal dichalcogenide MX2 (M = Mo, W; X = S, Se) monolayers through elliptical pumping. As compared to circular pumping, elliptical pumping is more universal and effective method to create coherent valley polarization. When two valleys of MX2 monolayers are doped or polarized, a novel anomalous valley orbital magnetic moment Hall effect driven by opposite Berry curvatures at different valleys is predicted and can generate orbital magnetic moment current without the accompaniment of a charge current, opening a new avenue for exploration of valleytronics and orbitronics. Valley orbital magnetic moment Hall effect is expected to obscure spin Hall effect and is tunable under elliptical pumping.

cond-mat.mes-hall↗