arXiv subjects

Yu Jia

Publications and source records attributed to Yu Jia.

At least 73 records · Page 4Linked to original sources

arXiv2021

Twisting enabled charge transfer excitons in epitaxially fused quantum dot molecules

Charge-transfer excitons possessing long radiative lifetime and net permanent dipole moment are highly appealing for quantum dot (QD) based energy harvesting and photodetecting devices, in which the efficiency of charge separation after photo-excitation limits the device performance. Herein, using a hybrid time-dependent density functional theory, we have demonstrated that the prevailing rule of selecting materials with staggered type-II band alignment for realization of charge-transfer exciton breaks down in epitaxially fused QD molecules. The excitonic many-body effects are found to be significant and distinct depending on the exciton nature, causing unexpected reverse ordering of exciton states. Strikingly, twisting QD molecule appears as an effective means of modulating the orbital spatial localization towards charge separation that is mandatory for a charge-transfer exciton. Meanwhile, it manifests the intra-energy-level splitting that counterbalances the distinct many-body effects felt by excitons of different nature, thus ensuring the successful generation of energetically favourable charge-transfer exciton in both homodimer and heterodimer QD molecules. Our study extends the realm of twistroincs into zero-dimensional materials, and provides a genuine route of manipulating the exciton nature in QD molecules.

cond-mat.mes-hall↗

arXiv2021

Next-to-leading-order QCD corrections to heavy quark fragmentation into ${}^1S^{(1,8)}_0$ quarkonia

Within NRQCD factorization framework, in this work we compute, at the lowest order in velocity expansion, the next-to-leading-order (NLO) perturbative corrections to the short-distance coefficients associated with heavy quark fragmentation into the ${}^1S_0^{(1,8)}$ components of a heavy quarkonium. Starting from the Collins and Soper's operator definition of the quark fragmentation function, we apply the sector decomposition method to facilitate the numerical manipulation. It is found that the NLO QCD corrections have a significant impact.

hep-ph↗

arXiv2021

Structural Stability and Defect-Tolerance of Ionic Spinel Semiconductor for High-Efficiency Solar Cells

The incompatibility between defect-tolerance and structural stability is a severe issue hindering the wide application of high-efficiency solar cells. Usually, covalent/polar semiconductors with prototype of Si/CdTe crystals exhibit great structural stability owing to their compactly composed tetrahedral building blocks, but present extremely poor defect-tolerance due to the similar electronegativity of component elements. On the contrary, ionic semiconductors, such as perovskite series, always exhibit benign electronic properties of intrinsic defects owing to the great disparity of electronegativity between anions and cations, but are structurally unstable because of the sparsely composed octahedral building blocks supported by large cations. Combining the stable framework of covalent semiconductors and benign defects of ionic compounds, we find that HgX2S4 (X=In, Sc and Y) spinel semiconductors possess both the merits. The tightly combined tetrahedral and octahedral blocks ensures the structural stability, and the band edge of ionic characteristic, which is mainly dominated by Hg-6s and S-3p orbitals for conduction band minimum (CBM) and valence band maximum (VBM), respectively, makes HgX2S4 defect-tolerant. The prominent downward bending of CBM caused by spatially spreading Hg-6s spherical orbital not only induces a suitable optical band gap which is often too large in ionic compounds, but also promotes the formation and transport of n-type carriers. This study presents that Hg-based chalcogenide spinels are promising candidates for high-efficiency solar cells, and suggests that adopting cations with delocalized orbitals under the framework of spinel crystal is an alternative way for synthesizing the stable and defect-tolerant photovoltaic materials.

cond-mat.mtrl-sci↗

arXiv2021

Inclusive production of fully-charmed ${\bm 1}^{\bm{+}\bm{-}}$ tetraquark at $\bm B$ factory

Inspired by the recent discovery of the $X(6900)$ meson at {\tt LHCb} experiment, we investigate the inclusive production rate of the $C$-odd fully-charmed tetraquarks associated with light hadrons at the $B$ factory within the nonrelativistic QCD (NRQCD) factorization framework. The short-distance coefficient is computed at lowest order in velocity and $α_s$. Employing the diquark-antidiquark model to roughly estimate the long-distance NRQCD matrix elements, we predict the rate for inclusive production of the $1^{+-}$ $T_{4c}$ state and discuss the observation prospects at {\tt Belle 2} experiment.

hep-ph↗

arXiv2021

Hydrogen-assisted layer-by-layer growth and robust nontrivial topology of stanene films on Bi(111)

Ever since the first successful synthesis of stanene via epitaxial growth, numerous efforts have been devoted to improving its overall quality and exploring its topological and other exotic properties under different growth conditions. Here, using first-principles approaches, we reveal the atomistic growth mechanisms and robust topological properties of few-layer stanene on Bi(111). We first show that monolayer stanene grown on Bi(111) follows a highly desirable nucleation-and-growth mechanism, characterized by attractive interaction of the Sn adatoms. More importantly, we reveal that surface passivation by the residual hydrogen is essential in achieving layer-by-layer growth of high-quality few-layer stanene, with the hydrogen functioning as a surfactant in stabilizing the growing films. Furthermore, we investigate systematically the dependence of the topological properties of stanene on the film thickness, hydrogen passivation, and substrate, and obtain robust quantum spin Hall effects under diverse physical conditions. The robustness of the nontrivial topology is attributable to the strong spin-orbit coupling of the Bi substrate. The atomistic growth mechanisms and nontrivial topology of stanene as presented here are also discussed in connection with recent experimental findings.

cond-mat.mtrl-sci↗

arXiv2020

Exclusive radiative production of fully-charmed tetraquarks at $B$ Factory

We apply the newly developed NRQCD factorization formula to analyze the exclusive production of the fully-charmed tetraquark $T_{4c}$ plus a hard photon at $B$ factory. For simplicity, in this work we have concentrated on the associated production of the $0^{++}$ and $2^{++}$ tetraquarks with a photon. With some rough estimates about the size of the unknown nonperturbative NRQCD matrix elements, we predict the production rates of these types of exclusive channels at $\sqrt{s}=10.6$ GeV and also assess their observation prospect at {\tt Belle 2} experiment.

hep-ph↗

arXiv2020

Next-to-Next-to-Leading-Order Radiative Corrections to $e^+e^-\toχ_{cJ}+γ$ at $B$ factory

Within the nonrelativistic QCD (NRQCD) factorization framework, we have computed the ${\mathcal O}(α_s^2)$ corrections to the exclusive production of $P$-wave spin-triplet charmonia $χ_{cJ}(J=0,1,2)$ accompanied by a hard photon at $B$ factories. For the first time, we have explicitly verified the validity of NRQCD factorization for exclusive $P$-wave quarkonium production at two-loop order. Unlike the $χ_{cJ}$ electromagnetic decay processes, the $\mathcal{O}(α_s^2)$ corrections are found to be smaller than the $\mathcal{O}(α_s)$ corrections in all three channels $e^+e^-\to χ_{c0,1,2}+γ$. In particular, the ${\mathcal O}(α_s^2)$ corrections appear moderate for $χ_{c1}$ case, and insignificant for $χ_{c0}$. In addition, the next-to-next-to-leading order (NNLO) predictions for the production rates of $χ_{c0,1}+γ$ are insensitive to the renormalization and factorization scales. All of these features may indicate that perturbative expansion in these two channels exhibits a decent convergence behavior. By contrast, both the ${\mathcal O}(α_s)$ and ${\mathcal O}(α_s^2)$ corrections to the $χ_{c2}+γ$ production cross section are sizable, which even reduces the Born order cross section by one order of magnitude after including the NNLO perturbative correction. Taking the values of the long-distance NRQCD matrix elements from nonrelativistic potential model, our prediction to $χ_{c1}+γ$ production rate is consistent with the recent {\tt Belle} measurement. The NNLO predictions for the $χ_{c0,2}+γ$ production rates are much smaller than that for $χ_{c1}+γ$, which seems to naturally explain why the $e^+e^-\to χ_{c0,2}+γ$ channels have escaped experimental detection to date.

hep-ph↗

arXiv2020

${\cal O}(α_sv^2)$ corrections to hadronic decay of vector quarkonia

Within the nonrelativistic QCD (NRQCD) factorization framework, we compute the ${\mathcal O}(α_s v^2)$ corrections to the hadronic decay rate of vector quarkonia, exemplified by $J/ψ$ and $Υ$. Setting both the renormalization and NRQCD factorization scales to be $m_Q$, we obtain $Γ(J/ψ\to {\rm LH})= 0.0716\frac{α_s^3}{m_c^2} \langle \mathcal{O}_1({}^3S_1)\rangle_{J/ψ} [1-1.19α_s+(-5.32+3.03α_s)\langle v^2\rangle_{J/ψ}]$ and $Γ(Υ\to {\rm LH})= 0.0716\frac{α_s^3}{m_b^2}\langle\mathcal{O}_1({}^3S_1)\rangle_Υ[1-1.56α_s+(-5.32+4.61α_s)\langle v^2\rangle_Υ]$. We confirm the previous calculation of $\mathcal{O}(α_s)$ corrections on a diagram-by-diagram basis, with the accuracy significantly improved. For $J/ψ$ hadronic decay, we find that the ${\mathcal O}(α_sv^2)$ corrections are moderate and positive, nevertheless unable to counterbalance the huge negative corrections. On the other hand, the effect of ${\mathcal O}(α_sv^2)$ corrections for $Υ(nS)$ is sensitive to the $\mathcal{O}(v^2)$ NRQCD matrix elements. With the appropriate choice of the NRQCD matrix elements, our theoretical predictions for the decay rates may be consistent with the experimental data for $Υ(1S,2S)\to {\rm LH}$. As a byproduct, we also present the theoretical predictions for the branching ratio of $J/ψ(Υ)\to 3γ$ accurate up to $\mathcal{O}(α_s v^2)$.

hep-ph↗

arXiv2020

AIM 2020 Challenge on Real Image Super-Resolution: Methods and Results

This paper introduces the real image Super-Resolution (SR) challenge that was part of the Advances in Image Manipulation (AIM) workshop, held in conjunction with ECCV 2020. This challenge involves three tracks to super-resolve an input image for $\times$2, $\times$3 and $\times$4 scaling factors, respectively. The goal is to attract more attention to realistic image degradation for the SR task, which is much more complicated and challenging, and contributes to real-world image super-resolution applications. 452 participants were registered for three tracks in total, and 24 teams submitted their results. They gauge the state-of-the-art approaches for real image SR in terms of PSNR and SSIM.

cs.CV↗

arXiv2020

Fragmentation production of fully-charmed tetraquarks at LHC

The $X(6900)$ resonance, very recently discovered in the double-$J/ψ$ channel at LHCb experiment, has spurred intensive interest in unravelling the nature of the fully charmed tetraquark state. The aim of this paper is to present a model-independent theoretical framework to study the inclusive production of this novel species of exotic hadrons, the resonances composed of four heavy quark (commonly referred to as $T_{4c}$), at large $p_T$ in hadron collision experiments. Appealing to asymptotic freedom and the fact $m_c\gg Λ_{\rm QCD}$, we propose that the nonpertubative yet universal gluon-to-$T_{4c}$ fragmentation function, can be decomposed into the product of the perturbatively calculable short-distance coefficient and the long-distance NRQCD matrix elements. We compute the short-distance coefficient at lowest-order in $α_s$ and velocity expansion. Adopting the diquark ansatz to roughly estimate those not-yet-known NRQCD matrix elements, together with the standard QCD factorization theorem, we predict the differential production rates for the $T_{4c/4b}(0^{++})$ and $T_{4c/4b}(2^{++})$ at large $p_T$ in $pp$ collision, which eagerly awaits the confrontation with the future LHC experiments.

hep-ph↗

arXiv2020

Ferromagnetic Weyl Fermions in Two-Dimensional Layered Electride Gd$_2$C

Recently, two-dimensional layered electrides have emerged as a new class of materials which possess anionic electron layers in the interstitial spaces between cationic layers. Here, based on first-principles calculations, we discover a time-reversal-symmetry-breaking Weyl semimetal phase in a unique two-dimensional layered ferromagnetic (FM) electride Gd$_2$C. It is revealed that the crystal field mixes the interstitial electron states and Gd 5$d$ orbitals near the Fermi energy to form band inversions. Meanwhile, the FM order induces two spinful Weyl nodal lines (WNLs), which are converted into multiple pairs of Weyl nodes through spin-orbit coupling. Further, we not only identify Fermi-arc surface states connecting the Weyl nodes but also predict a large intrinsic anomalous Hall conductivity due to the Berry curvature produced by the gapped WNLs. Our findings demonstrate the existence of Weyl fermions in the room-temperature FM electride Gd$_2$C, therefore offering a new platform to investigate the intriguing interplay between electride materials and magnetic Weyl physics.

cond-mat.mtrl-sci↗

arXiv2020

Dependency of Sliding Friction for Two Dimensional Systems on Electronegativity

We study the role of electronegativity in sliding friction for five different two dimensional (2D) monolayer systems using density functional theory (DFT) with van der Waals (vdW) corrections. We show that the friction between the commensurate 2D layered systems depends strongly on the electronegativity difference of the involved atoms. All the 2D layered structures exhibit almost the same magnitude of friction force when sliding along the nonpolar path, independent of the material and the surface structures. In contrast, for sliding friction along the polar path, the friction force obeys a universal linear scaling law as a function of the electronegativity difference of its constituent atoms. Further analyses demonstrate that atomic dipoles in the 2D monolayers induced by the electronegativity difference enhance the corrugation of charge distribution and increase the sliding barrier accordingly. Our studies reveal that electronegativity plays an important role in friction of low dimensional systems, and will provide a strategy for designing nanoscale devices further.

cond-mat.mtrl-sci↗

arXiv2020

Giant magnetoresistance in antiferromagnetic Mn$_2$Au-based tunnel junction

Recent studies on the electrical switching of tetragonal antiferromagnet (AFM) via N{é}el spin-orbit torque have paved the way for the economic use of antiferromagnetic materials. The most difficult obstacle that presently limits the application of antiferromagnetic materials in spintronics, especially in memory storage applications, could be the small and fragile magnetoresistance (MR) in the AFM-based nanostructure. In this study, we investigated the spin transports in Mn$_2$Au-based tunnel junctions based onthe first-principle scattering theory. Giant MRs more than $1000\%$ are predicted in some Fe/MgO/Ag/Mn$_2$Au/Ta junctions that are about the same order as that in an MgO-based ferromagnetic tunnel junction with same barrier thickness. The interplay of the spin filtering effect, the quantum well resonant states, and the interfacial resonant states could be responsible for the unusual giant and robust MRs observed in these Mn$_2$Au-based junctions.

cond-mat.mtrl-sci↗

arXiv2020

Novel Porous Aluminum Nitride Monolayer Structures A First-principles Study

By using ab inito calculations within Density Functional Theory, we have explored the possible structures and various properties of porous AlN monolayer materials. Two kinds of porous AlN monolayer are identified, and the phonon dispersion spectrum together with the ab inito molecular dynamics simulations demonstrate that their structures are stable. We further show that these AlN porous monolayers have well-defined porous nanostructures and even higher specific surface areas, namely, which can be comparable with graphene, and can also be maintained evenly at high temperatures. Furthermore, both porous monolayers exhibit semiconductor properties with 2.89 eV and 2.86 eV indirect band gap, respectively. In addition, the electronic structures of such porous monolayers can be modulated by strains. The band gap of porous AlN monolayer experiences an indirect-direct transition when biaxial strain is applied. A moderate 9% compression can trigger this gap transition. These results indicate that the porous AlN monolayer may potentially be used for optoelectronic applications, as well as for underlying catalysts in the future.

cond-mat.mtrl-sci↗

arXiv2020

Relativistic corrections to exclusive $χ_{cJ} + γ$ production from $e^+ e^-$ annihilation

We calculate in the non-relativistic QCD (NRQCD) factorization framework all leading relativistic corrections to the exclusive production of $χ_{cJ}+γ$ in $e^+ e^-$ annihilation. In particular, we compute for the first time contributions induced by octet operators with a chromoelectric field. The matching coefficients multiplying production long distance matrix elements (LDMEs) are determined through perturbative matching between QCD and NRQCD at the amplitude level. Technical challenges encountered in the non-relativistic expansion of the QCD amplitudes are discussed in detail. The main source of uncertainty comes from the not so well known LDMEs. Accounting for it, we provide the following estimates for the production cross sections at $\sqrt{s} = 10.6\textrm{ GeV}$: $σ(e^+ e^- \to χ_{ c0} + γ) = (1.3 \pm 0.4) \textrm{ fb}$, $σ(e^+ e^- \to χ_{ c1} + γ) = (15.4 \pm 6.7) \textrm{ fb}$, and $σ(e^+ e^- \to χ_{ c2} + γ) = (4.7 \pm 2.6) \textrm{ fb}$.

hep-ph↗

arXiv2019

Adaptive Densely Connected Super-Resolution Reconstruction

For a better performance in single image super-resolution(SISR), we present an image super-resolution algorithm based on adaptive dense connection (ADCSR). The algorithm is divided into two parts: BODY and SKIP. BODY improves the utilization of convolution features through adaptive dense connections. Also, we develop an adaptive sub-pixel reconstruction layer (AFSL) to reconstruct the features of the BODY output. We pre-trained SKIP to make BODY focus on high-frequency feature learning. The comparison of PSNR, SSIM, and visual effects verify the superiority of our method to the state-of-the-art algorithms.

eess.IV↗

arXiv2019

Two-dimensional topological semimetal states in monolayers Cu$_2$Ge, Fe$_2$Ge, and Fe$_2$Sn

Recent experimental realizations of the topological semimetal states in several monolayer systems are very attractive because of their exotic quantum phenomena and technological applications. Based on first-principles density-functional theory calculations including spin-orbit coupling, we here explore the drastically different two-dimensional (2D) topological semimetal states in three monolayers Cu$_2$Ge, Fe$_2$Ge, and Fe$_2$Sn, which are isostructural with a combination of the honeycomb Cu or Fe lattice and the triangular Ge or Sn lattice. We find that (i) the nonmagnetic (NM) Cu$_{2}$Ge monolayer having a planar geometry exhibits the massive Dirac nodal lines, (ii) the ferromagentic (FM) Fe$_2$Ge monolayer having a buckled geometry exhibits the massive Weyl points, and (iii) the FM Fe$_2$Sn monolayer having a planar geometry and an out-of-plane magnetic easy axis exhibits the massless Weyl nodal lines. It is therefore revealed that mirror symmetry cannot protect the four-fold degenerate Dirac nodal lines in the NM Cu$_{2}$Ge monolayer, but preserves the doubly degenerate Weyl nodal lines in the FM Fe$_{2}$Sn monolayer. Our findings demonstrate that the interplay of crystal symmetry, magnetic easy axis, and band topology is of importance for tailoring various 2D topological states in Cu$_2$Ge, Fe$_2$Ge, and Fe$_2$Sn monlayers.

cond-mat.mtrl-sci↗

arXiv2019

Excitons in InP, GaP, GaInP quantum dots: Insights from time-dependent density functional theory

Colloidal quantum dots (QDs) of group III-V are considered as promising candidates for next-generation environmentally friendly light emitting devices, yet there appears to be only limited understanding of the underlying electronic and excitonic properties. Using large-scale density functional theory with the hybrid B3LYP functional solving the single-particle states and time-dependent density functional theory accounting for the many-body excitonic effects, we have identified the structural, electronic and excitonic optical properties of InP, GaP and GaInP QDs containing up to a thousand atoms or more. The calculated optical gap of InP QD appears in excellent agreement with available experiments, and it scales nearly linearly with the inverse diameter. The radiative exciton decay lifetime is found to increase surprisingly linearly with increasing the dot size. For GaP QDs, we predict an unusual electronic state crossover at diameter around 1.5 nm whereby the nature of the lowest unoccupied molecular orbital (LUMO) state switches its symmetry from $Γ_{5}$-like at larger diameter to $Γ_{1}$-like at smaller diameter. After the crossover, the absorption intensity of the band-edge exciton states is significantly enhanced. Finally, we find that Vegard's law holds very well for GaInP random alloyed quantum dots down to ultra-small sizes with less than a hundred atoms. The obtained energy gap bowing parameter of this common-cation compound in QD regime appears positive, size-dependent and much smaller than its bulk parentage. The volume deformation, dominating over the charge exchange and structure relaxation effects, is mainly responsible for the QD energy gap bowing. The present work provides a road map for a variety of electronic and optical properties of colloidal QDs in group III-V that can guide spectroscopic studies.

cond-mat.mtrl-sci↗