arXiv subjects

Chuang Yao

Publications and source records attributed to Chuang Yao.

10 recordsLinked to original sources

arXiv2026

Quantum Divergence and Topological Edge Diagnostics via Levitov Full Counting Statistics

We propose a differential full counting statistics protocol for mesoscopic transport. Additionally, we compare terminal Fano factors and noise cumulants between gate configurations at matched k1, instead of inferring a bulk divergence sensor from a single absolute F. it is illustrated analytically for a two channel factorization via a zero temperature geometry scan. Secondary benchmarks show that a two dimensional lattice non equilibrium Greens function calculation yields sub Poissonian Fano factors, whereas Kumars low temperature quantum point contact calibration validates the numerical implementation.

cond-mat.mes-hall↗

arXiv2026

Non-Hermitian Tight-Binding Bands in Graphene: Optical Conductivity, Strain Effects, and Bernal Bilayer Extension

Within the tight binding framework of graphenes {\pi} electron nearest neighbors, the Tan Bo model parametrizes transition energies t(dr) based on bond lengths and angles via the Mobius transformation combined with exponential decay. Comparisons between isotropic , geometrically anisotropic , and Slater Koster scales reveal that B = 0 is equivalent to the SK scheme, with L(B) reaching its optimum at Bopt = 0. The Hermitian assembly maintains the Dirac cone at the K point.The Tan Bo geometry dependent transition model and non Hermitian TB assembly scheme developed in this study provide a reproducible single particle benchmark and parameterization reference for future non Hermitian chemical calculations incorporating electron correlation effects in graphene systems.

cond-mat.mtrl-sci↗

arXiv2026

Electrostatic Screening Modulation of Graphene's Electronic Structure and the Helical Wavefunction Dominated Topological Properties

This study examines electrostatic screening effects in graphene using tight binding calculations based on the Binding energy and Bond Charge model and a modified version of it. The results indicate that the modified BBC potential decays in an exponential manner with distance, which suppresses electron electron interactions. The hopping integrals exhibit a pronounced decrease over distance and shift with parameter variation. A band gap opens once the parameter exceeds a certain threshold. The density of states shows a prominent peak near the Fermi level, whereas the low-energy region remains largely unchanged. The low energy helical wave functions in graphene display topological characteristics, including pseudospin momentum locking and a π Berry phase, resulting in distinctive transport properties. By avoiding the Coulomb singularity, the model offers valuable insights for the engineering of screening in two-dimensional systems and the design of topological devices.

cond-mat.mes-hall↗

arXiv2023

Topological Bonding and Electronic properties of Cd$_{43}$Te$_{28}$ semiconductor material with microporous structure

CdTe is II-VI semiconductor material with excellent characteristics and has demonstrated promising potential for application in the photovoltaic field. The electronic properties of Cd43Te28 with microporous structures have been investigated based on density functional theory. The newly established binding-energy and bond-charge model have been used to convert the value of Hamiltonian into bonding values. We provide a method for describing topological chemical bonds by atomic coordinates and wave phases. We also discuss the dynamic process of the wave function with time and the magic cube matrix. This study provides an innovative method and technology for the accurate analysis of the topological bonding and electronic properties of microporous semiconductor materials.

cond-mat.mtrl-sci↗

arXiv2021

Atomic bonding and binding energy of two-dimensional Bi/Li(110) heterojunctions via BOLS and BB model

Combining the bond-order-length-strength (BOLS) and bonding and binding energy (BB) models with density functional theory (DFT) calculations, we studied the atomic bonding and binding energy behavior of Bi atoms adsorbed on the Li(110) surface. We found that the Bi atoms adsorbed on the Li(110) surface form two-dimensional (2D) geometric structures, including letter-, hexagon-, galaxy-, crown-, field-, and cobweb-shaped structures. Thus, we obtained the following quantitative information: (i) the field-shaped structure can be considered the bulk structure; (ii) the field-shaped structure of Bi atom formation has a 5d energy level of 22.727 eV, and in the letter shape structure, this energy is shifted to values greater than 0.342 eV;and (iii) the Bi/Li(110) heterojunction transfers charge from the inner Li atomic layer to the outermost Bi atomic layer. In addition, we analyzed the bonding and electronic dynamics involved in the formation of the Bi/Li(110) heterojunctions using zone-selective electron spectroscopy technology. This work provides a theoretical reference for the fine tuning of binding energies and chemical bonding at the interfaces of 2D metallic materials.

cond-mat.mtrl-sci↗

arXiv2020

What makes an explosion happen?

The presence of the nonbonding XH tension constrains and the presence of the anti or super hydrogen bond fosters the explosion in aqueous alkali and molten alkali halides; the combination of the coupled hydrogen bond and the repulsive anti or super hydrogen bond not only stabilzes the structure but also stores energy of the energetic molecular assemblies by shortening all covalent bonds.

physics.chem-ph↗

arXiv2019

Bond Relaxation and Electronic Properties of Two-Dimensional Sb/MoSe2 and Sb/MoTe2 Van der Waals Heterostructures

Van der Waals heterostructures have recently garnered interest for application in high-performance photovoltaic materials. Consequently, understanding the basic electronic characteristics of these heterostructures is important for their utilisation in optoelectronic devices. The electronic structures and bond relaxation of two-dimensional (2D) Sb/transition metal disulfides (TMDs, MoSe2, and MoTe2) van der Waals heterostructures were systematically studied using the bond-charge (BC) correlation and hybrid density functional theory. We found that the Sb/MoSe2 and Sb/MoTe2 heterostructures had indirect band gaps of 0.701 and 0.808 eV, respectively; further, these heterostructures effectively modulated the band gaps of MoSe2 (1.463 eV) and MoTe2 (1.173 eV). The BC correlation revealed four bonding and electronic contributions (electron-holes, antibonding, nonbonding, and bonding states) of the heterostructures. Our results provide an in-depth understanding of the Sb/TMD van der Waals heterojunction, which should be utilised to design 2D metal/semiconductor-based devices.

physics.comp-ph↗

arXiv2018

Structures and Anomalies of Water

Introduction of the principles of the asymmetrical, short-range O:H-O coupled oscillater pair and the basic rule for water ice, which reconciles the structure and anomalies of water ice.

physics.chem-ph↗

arXiv2018

Bond relaxation, electronic and magnetic behavior of 2D metals structures Y on Li(110) surface

We investigated the bond, electronic and magnetic behavior of adsorption Yttrium atoms on Lithium (110) surface using a combination of Bond-order-length-strength(BOLS) correlation and density-functional theory(DFT). We found that adsorption Y atoms on Li(110) surfaces form two-dimensional (2D) geometric structures of hexagon, nonagon, solid hexagonal, quadrangle and triangle. The consistent with the magnetic moment are 6.66μB, 5.54μB, 0.28μB, 1.04μB, 2.81μB, respectively. In addition, this work could pave the way for design new 2D metals electronic and magnetic properties.

cond-mat.mtrl-sci↗

arXiv2018

Electronic structure and bond relaxation at Na/Ta(110) interfaces and 1D-chain and 2D-ring Ta metal structures on Na(110)

We investigated the mechanism of Na/Ta(110) and Ta/Na(110) interfaces using a combination of bond band barrier (BBB) and zone selective electron spectroscopy (ZES) correlation. We found that 7/9 ML and 8/9 ML Ta metal on a Na(110) surface form one dimensional (1D) chain and two dimensional (2D) ring structures, respectively. Moreover, we show that on Na(110), the Ta-induced Na(110) surface binding energy (BE) shifts are dominated by quantum entrapment. On the contrary, on a Ta(110) surface, the Na-induced Ta(110) surface BE shifts are dominated by polarization. Thus, the BBB and ZES strategy could potentially be used for designing 1D and 2D metals with desired structures and properties.

physics.comp-ph↗