题目: “基于轴向张力的1维双金属三明治分子导线(FeCpVCp)的电磁性质的计算”

报告人： YANG Shuo Wang（杨硕望）博士，新加坡高性能计算研究所研究员

时间：2009年6月10日晚19:30（星期三）

地点：丁家桥校区教学楼113

欢迎光临

理学院

2009-6-8

Title:  "Electrical and Magnetic Property Manipulation by the Uniaxial Strain on a 1D Bimetallic Sandwich Molecular Wire (FeCpVCp) "

Speaker：Dr. YANG Shuo Wang，Research Scientist of Institute of High Performance Computing，Singapore

Abstract: We explore theoretically the manipulation of 1D bimetallic sandwich molecular wire electrical and magnetic properties using uniaxial  strain. The molecular wire undergoes FM semiconducting-metallic-AFM semiconducting transition under compressive strain, but remains a semiconductor under tensile strain. We unveiled the mechanism behind such phenomena by detailed analysis of electron transfer or redistribution and local electron configurations on metal atoms within the wire. In addition, we predicted that the magnetization direction can be manipulated by such mechanical scheme, promising new applications in molecular spintronics. The uncovered mechanism is also important in low dimensional physics.

Date：19:30, Jun，10^th，2009（Wednesday）

地点：丁家桥校区教学楼113

Introduction to Dr. YANG Shuo Wang

·                                 Title: Research Scientist

·                                 Email: yangsw@ihpc.a-star.edu.sg

Research Interests:

• First principle calculations on Nano structures (particles, nanotubes and nanowires)
• Sandwich molecular wires and related electronics & spintronics
• Surface adsorption and self assembling.

Qualifications:

• Ph. D. and M. Sc. (National University of Singapore)
• M. Sc. (1985) ; B. Sc. (1988) Zhejiang University (China)

Published Journals/ Articles(Selected Publications):

o        Man-Fai Ng*, Lei Shen, Liping Zhou, Shuo-Wang Yang* and V.B.C. Tan; “Geometry Dependent I-V Characteristics of Silicon Nanowires”, Nano Lett. 8 (2008) 3662.

o        Lei Shen, Shuo-Wang Yang*, Man-Fai Ng, Valeri Ligatchev, Liping Zhou, Feng, Yuan Ping; "Mechanism of Half-metallicity and Ferromagnetism for One-Dimensional Organometallic Sandwich Molecular Wires", J. Am. Chem. Soc. 130 (2008) 13956

o        Liping Zhou, Shuo-Wang Yang*, Man-Fai Ng, Michael Sullivan, Vincent Tan, Lei Shen; “One-dimensional Iron-Cyclopentadienyl Sandwich Molecular Wire with Half Metallic, Negative Differential Resistance and High Spin Filter Efficiency Properties", J. Am. Chem. Soc.? 130 (2008) 4023

o        Kian Soon Yong, Shuo-Wang Yang, Yong Ping Zhang, Ping Wu and Guo Qin Xu; “Adsorption-Induced Desorption of Benzene on Si(111)-7׷ by Substrate-Mediated Electronic Interactions”, Langmuir? 24 (2008) 3289

o        Man-Fai Ng and Shuo-Wang Yang*, "Revealing the way of self-complementary dimerization for a shape-persistent macrocycle using DFT calculations", J. Phys. Chem.B, 111(2007) 13886

o        A Kian Soon Yong, Yong Ping Zhang, Shuo-Wang Yang, Ping Wu, and Guo Qin; “Studies of Chemisorbed Tetracene on Si(111)-7?7”, J. Phys. Chem. A 111 (2007) 12266

o        Man-fai Ng Liping Zhou,and Shuo-Wang Yang*, Li Yun Sim, Vincent B. C. Tan and Ping Wu; “Theoretical investigation of silicon nanowires: Methodology, geometry, surface modification, and electrical conductivity using a multiscale approach”, Phys. Rev. B 76 (2007) 15435

o        Xian Ning Xie, Hong Jing Chung, Zhuang Jian Liu, Shuo-Wang Yang, Chorng Haur Sow and Andrew Thye Shen Wee; “A new scenario in probe local oxidation: transient pressure wave-assisted ionic spreading and oxide pattern formation”, Adv. Mater. 19 (2007) 2618

o        S.W. Yang, L. Dai, X.T. Chen, P. Wu and V.B.C. Tan, “Investigation of Ta film growth mechanism and atomic structures on polymer and SiC amorphous substracts”, App. Phys. Letts. 88 (2006) 112902

o        X.N. Xie, M. Deng, H. Xu, S.W. Yang, D.C. Qi, X. Y. Gao, H.J. Chung, C.H. Sow, V.B.C. Tan and A. T. S. Wee, “Creating polymer structures of tunable electric-functionality by nano-plasma assisted crosslinking and oxygenation”, J. Amer. Chem. Soc., 128(8) (2006) 2738