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First-Principles Calculations for Stable β-Ti–Mo Alloys Using Cluster-Plus-Glue-Atom Model

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Acta Metallurgica Sinica(English Letters) 2020年第7期33卷 968-974页

作者： Fushi Jiang Chang Pang Zhaoyang Zheng Qing Wang Jijun Zhao Chuang Dong key laboratory of Materials Modification by Laser Ion and Electron Beams(Ministry of Education)Dalian University of TechnologyDalian 116024China College of physics and Electronic Information Inner Mongolia University for NationalitiesTongliao 028043China Institute of Metal Research Chinese Academy of SciencesShenyang 110016China College of Marine Science and Environment Dalian Ocean UniversityDalian 116023China National key laboratory of Shock Wave and Detonation physics Institute of Fluid PhysicsChina Academy of Engineering PhysicsMianyang 621900China

Construction of suitable structural models in order to account for chemical short-range orders is the reason behind the difficult multi-scale computational simulation methods for solid ***,using Ti-Mo alloys as representative,we used our cluster-plus-glue-atom model to address the chemical short-range orders for body-center cubic *** accordance with the atomic interaction mode,an Mo solute atom would prefer 14 Ti solvent atoms as its nearest neighbors,forming a rhombic-dodecahedral cluster,and some next outer-shell Mo and Ti atoms would serve as the glue atoms,which is formulated as [Mo-Ti14](Mo,Ti)*** number of glue atoms x corresponds to different spatial distribution of the *** of the formula having good stability is [Mo-Ti14]Mo,i.e.,with one Mo as the glue *** verify its stability,mechanical properties and electronic density of state are obtained using the first-principles calculations and the Young’s modulus agrees with the experimental *** the formulated structural unit [Mo-Ti14]Mo is indeed verified by the cluster expansion *** work then confirms the existence of simple structural unit covering the nearest neighbors and a few next outershell atoms for the Ti-Mo alloy of high structural stability.

关键词： alloy cluster structural

Influence of circular aperture on high-order harmonic generation

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Chinese Optics Letters 2003年第6期1卷 367-369页

作者：刘婷婷陆伟新王大威杨宏龚旗煌 Department of physics & State key laboratory for Mesoscopic physics Peking University Beijing 100871

The influence of circular aperture on the intensity of high-order harmonic generation (HHG) with intense femtosecond laser pulse was studied both experimentally and theoretically. The intensity variety of HHG with the diameter of circular aperture was observed in pulsed Ar gas. The result was discussed and interpreted in terms of the theory of Hankel transform. It is found that using the Gaussian beam truncated by an aperture could enhance the conversion efficiency of HHG at certain conditions.

关键词： High power lasers Laser beam effects

Annealing Behaviour of Helium Bubbles in Titanium Films by Thermal Desorption Spectroscopy and Positron Beam Analysis

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Chinese physics Letters 2007年第8期24卷 2357-2360页

作者：刘超卓周筑颖施立群王宝义郝小鹏赵国庆 Applied ion Beam physics laboratory Institute of Modern Physics Fudan University Shanghai 200433 laboratory of Nuclear Analysis Technique Institute of High Energy Physics Chinese Academy of Sciences Beijing 100049 College of physics Science and Technology China University of Petroleum (East China) Dongying 257061

Helium-containing Ti Glms are prepared using magnetron sputtering in the helium-argon atmosphere. Isochronal annealing at different temperatures for an hour is employed to reveal the behaviour of helium bubble growth. ion beam analysis is used to measure the retained helium content. Helium can release largely when annealing above 970K. A thermal helium desorption spectroscopy system is constructed for assessment of the evolution of helium bubbles in the annealed samples by linear heating （OAK/s） from room temperature to 1500K. Also, Doppler broadening measurements of positron annihilation radiation spectrum are performed by using changeable energy positron beam. Bubble coarsening evolves gradually below 680K, migration and coalescence of small bubbles dominates in the range of 68-970 K, and the Ostwald ripening mechanism enlarges the bubbles with a massive release above 970K.

关键词： coated conductor buffer layer self-epitaxy CeO2

Matrix formalism for radiating polarization sheets in multilayer structures of arbitrary composition

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Chinese Optics Letters 2017年第8期15卷 81-85页

作者：石卉张雨王洪庆刘韡韬 physics Department State Key Laboratory of Surface Physics Key Laboratory of Micro and Nano PhotonicStructures (MOE) Collaborative Innovation Center of Advanced Microstructures (Nanjing) Fudan University Shanghai 200433 China

Multilayer structures of thin films are indispensable in modern technology and scientific research. In such structures, interfaces often play a key role： they give rise to desirable electronic and optoelectronic functions, and are the host of many novel phenomena. Across the inter- faces, the broken symmetry often causes a net polar order- ing, which is readily monitored by surface-specific optical techniaues.

关键词： ETI SiO EI

High-performance optoelectronic devices based on van der Waals vertical MoS2/MoSe2 heterostructures

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Nano Research 2020年第4期13卷 1053-1059页

作者： Fang Li Boyi Xu Wen Yang Zhaoyang Qi Chao Ma Yajuan Wang Xuehong Zhang Zhuoran Luo Delang Liang Dong Li Ziwei Li Anlian Pan key laboratory for Micro-Nano physics and Technology of Hunan Province College of Materials and EngineeringSchool of Physics and Electronic Scienceand State Key Laboratory of Chemo/Biosensing and ChemometricsHunan UniversityChangsha 410082China

Monolayer MoS2 is a direct band gap semiconductor with large exciton binding energy,which is a promising candidate for the application of ultrathin optoelectronic ***,the optoelectronic performance of monolayer M0S2 is seriously limited to its growth quality and carrier *** this work,we report the direct vapor growth and the optoelectronic device of verticallystacked MoS2/MoSe2 heterostructure,and further discuss the mechanism of improved device *** optical and high-resolution atomic characterizations demonstrate that the heterostructure interface is of high-quality without atomic *** transport measurements indicate that the heterostructure transistor exhibits a high mobility of 28.5 cm^2/(V·s)and a high on/off ratio of 10^*** optoelectronic characterizations prove that the heterostructure device presents an enhanced photoresponsivity of 36 A/W and a remarkable detectivity of 4.8×10^11 Jones,which benefited from the interface induced built-in electric field and carrier dependent Coulomb screening *** work demonstrates that the construction of two-dimensional(2D)semiconductor heterostructures plays a significant role in modifying the optoelectronic device properties of 2D materials.

关键词： vertical heterostructure photodetector photoresponsivity mobility 2D materials

High-order nonreciprocal add-drop filter

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Science China(physics,Mechanics & Astronomy) 2021年第12期64卷 121-129页

作者： Hang Li Rui Ge YuChen Peng Bei Yan JianLan Xie JianJun Liu ShuangChun Wen key laboratory for Micro/Nano Optoelectronic Devices of Ministry of Education&Hunan Provincial key laboratory of Low-Dimensional Structural physics and Devices School of Physics and ElectronicsHunan UniversityChangsha 410082China

Topological photonics have led to robust optical behavior of optical devices, which has alleviated the influence of manufacturing defects and perturbations on the device performance. Meanwhile, temporal coupled-mode theory(t-CMT) has been developed and applied widely. However, the t-CMT of cascaded coupled cavities(CCC) system and its corresponding high-order filter has yet to be established. Here, the t-CMT of CCC system is established based on the existing t-CMT. By combining the CCC with topological waveguides, a versatile design scheme of high-order nonreciprocal add-drop filter(HONAF) is proposed. The relationship between the coupling effect of cavities and transmission and the filtering performance of HONAF is analyzed quantitatively. Then, a method to improve the transmission efficiency and quality factor of the filter is given. The proposed HONAF is based on the combination of gyromagnetic photonic crystals and decagonal Penrose-type photonic quasicrystals. The transmission and filtering performance of the HONAF are numerically analyzed, which verifies the consistency between theoretical prediction and numerical simulation. The established t-CMT of CCC system can be widely used in coupled resonator optical waveguides and their related systems. The proposed HONAF with excellent performance can also be applied to wavelength division multiplexing/demultiplexing systems.

关键词： filter photonic crystals photonic quasicrystals temporal coupled-mode theory

The CALYPSO methodology for structure prediction

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Chinese physics B 2019年第10期28卷 22-29页

作者： Qunchao Tong Jian Lv Pengyue Gao Yanchao Wang Innovation Center of Computational physics Methods and Software State Key Laboratory of Superhard Materials College of PhysicsJilin University

Structure prediction methods have been widely used as a state-of-the-art tool for structure searches and materials discovery, leading to many theory-driven breakthroughs on discoveries of new materials. These methods generally involve the exploration of the potential energy surfaces of materials through various structure sampling techniques and optimization algorithms in conjunction with quantum mechanical calculations. By taking advantage of the general feature of materials potential energy surface and swarm-intelligence-based global optimization algorithms, we have developed the CALYPSO method for structure prediction, which has been widely used in fields as diverse as computational physics, chemistry, and materials science. In this review, we provide the basic theory of the CALYPSO method, placing particular emphasis on the principles of its various structure dealing methods. We also survey the current challenges faced by structure prediction methods and include an outlook on the future developments of CALYPSO in the conclusions.

关键词： structure prediction CALYPSO method crystal structure potential energy surface

Entanglement quantification via weak measurements assisted by deep learning

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Photonics Research 2024年第4期12卷 712-719页

作者： MU YANG YA XIAO ZE-YAN HAO YU-WEI LIAO JIA-HE CAO KAI SUN EN-HUI WANG ZHENG-HAO LIU YUTAKA SHIKANO JIN-SHI XU CHUAN-FENG LI GUANG-CAN GUO CAS key laboratory of Quantum Information University of Science and Technology of ChinaHefei 230026China College of physics and Optoelectronic Engineering Ocean University of ChinaQingdao 266100China CAS Center for Excellence in Quantum Information and Quantum physics University of Science and Technology of ChinaHefei 230026China Hefei National laboratory University of Science and Technology of ChinaHefei 230088China Electric Power Research Institute State Grid Anhui Electric Power Co.Ltd.Hefei 230601China Institute of Systems and Information Engineering University of TsukubaIbaraki 305-8573Japan Center for Artificial Intelligence Research University of TsukubaIbaraki 305-8577Japan Graduate School of Science and Technology Gunma UniversityGunma 371-8510Japan Institute for Quantum Studies Chapman UniversityOrangeCalifornia 92866USA JST PRESTO Saitama 332-0012Japan

Entanglement has been recognized as being crucial when implementing various quantum information ***, quantifying entanglement for an unknown quantum state requires nonphysical operations or post-processing measurement data. For example, evaluation methods via quantum state tomography require vast amounts of measurement data and likely estimation.

关键词： estimation quantum angle

Scaled-energy spectroscopy of a |M| = 1 Rydberg barium atom in an electric field

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Chinese physics B 2009年第11期18卷 4791-4796页

作者：汪磊全威沈礼杨海峰史庭云柳晓军刘红平詹明生 State key laboratory of Magnetic Resonance and Atomic and Molecular physics Wuhan Institute of Physics and MathematicsChinese Academy of Sciences

We observe strong energy-dependent quantum defects in the scaled-energy Stark spectra for ｜M｜ =1 Rydberg states of barium atoms at three scaled energies：ε=-2.000, ε=-2.500 and ε=-3.000. In an attempt to explain the observations, theoretical calculations of closed orbit theory based on a model potential including core effect are performed for non-hydrogenic atoms. While such a potential has been uniformly successful for alkali atoms with a single valence electron, it fails to match experimental results for barium atoms in the 6snp Rydberg states with two valence electrons. Our study points out that this discrepancy is due to the strong perturbation from the 5d8p state, which voids the simple approximation for constant quantum defects of principle quantum number n.

关键词： Stark Rydberg barium