硅和锗纳米线的原子排布和电荷分布的密度泛函紧束缚方法研究

低维硅锗材料是制备纳米电子器件的重要候选材料，是研发高效率、低能耗和超高速新一代纳米电子器件的基础材料之一，有着潜在的应用价值。采用密度泛函紧束缚方法分别对厚度相同、宽度在0.272 nm~0.554 nm之间的硅纳米线和宽度在0.283 nm~0.567 nm之间的锗纳米线的原子排布和电荷分布进行了计算研究。硅、锗纳米线宽度的改变使原子排布，纳米线的原子间键长和键角发生明显改变。纳米线表层结构的改变对各层内的电荷分布产生重要影响。纳米线中各原子的电荷转移量与该原子在表层内的位置相关。纳米线的尺寸和表层内原子排列结构对体系的稳定性产生重要影响。     

Gap theorems for Lagrangian submanifolds in complex space forms

Geometriae Dedicata - Inspired by a recent work of Grove and Petersen (Alexandrov spaces with maximal radius, 2018), where the authors studied positively curved Alexandrov spaces with largest...     

Scaling Behavior between Heat Capacity and Thermal Expansion in Solids

We experimentally analyze the heat capacity and thermal expansion of reference solids in a wide temperature range from several Kelvin to melting temperature,and establish a universal double-linear relation between the experimental heat capacity C_p and thermal expansion β,which is different from the previous models.The universal behavior between heat capacity and thermal expansion is important to predict the thermodynamic parameters at constant pressure,and is helpful for understanding the nature of thermal properties in solids.     

Vortex lattices in a spin-orbit coupled binary Bose-Einstein condensates with dipolar interaction

International Journal of Theoretical Physics - We consider the stationary state of a spin-orbit coupled (SOC) binary Bose-Einstein condensates with dipole-dipole interaction (DDI). Our results are...     

Study on propagation efficiency and fidelity of subthreshold signal in feed-forward hybrid neural network under electromagnetic radiation

Nonlinear Dynamics - The hybrid neural model provides a computationally effective and biophysics-based neuron behavior model, which maintains its simplicity by incorporating the dynamics...     

Integral curvature bounds and diameter estimates on Finsler manifolds

In this paper, we study the integrals of the Ricci curvature over metric balls in a Finsler manifold,which can be viewed as an L~q-norm of the Ricci curvature. By bounding such integrals from above, we obtain several Myers type theorems.     

Good polynomials for optimal LRC of low locality

Designs, Codes and Cryptography - According to a magnific method due to I. Tamo and A. Barg, a class of polynomials over finite fields, called good polynomials, was introduced and used to construct...     

The Synergistic Photocatalytic Effect of H3PW12O40 and Pt Nanoparticles Comodified UiO-66-NH2 on the Reduction of Aqueous Cr(VI) under Original pH

Kinetics and Catalysis - A ternary synergistic photocatalyst H3PW12O40/Pt/UiO-66-NH2 was successfully fabricated for the first time through a simple solvothermal synthetic strategy. We found that...     

Bromine doped g-C3N4 with enhanced photocatalytic reduction in U(VI)

Research on Chemical Intermediates - In the process of uranium mining and smelting, large quantities of low-concentration uranium-containing wastewater have been produced. It is an ideal solution...     

Dynamic modeling and analysis of hybrid driven multi-link press mechanism considering non-uniform wear clearance of revolute joints

Meccanica - The multi-link press mechanism is developing in the direction of high speed and high precision. However, the non-uniform wear of joint clearance seriously affects the output motion...