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Electron Transport in Silicon Nanoscale Junctions
LIU Futi, CHENG Yan, YANG Fubin, CHENG Xiaohong, CHEN Xlangrong
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2013, 30 (6): 943-948.  
Abstract438)      PDF (1812KB)(824)      
Electron transport in a linear atomic chain composed of 3 silicon atoms and sandwiched between gold electrodes is investigated with combination of density functional theory and non-equilibrium Green's function method. Relationship of conductance with distance is calculated. It shows that:At a distance of 1.584 nm, binding energy of junctions is minimum, structure is the most stable, Si-Si bond length is 0.216 nm, Si-Au bond length is 0.227 nm, conductance is 0.729 G0(G0=2e2/h), electron transport channels mainly consist of px, py orbital electrons of Si atoms. With increase of voltage conductance decreases and I-V curve of nanoscale junctions at equilibrium position shows linear feature.
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Calculations of overtones and com binations of ch 4 molecule using nonlinear quantum theory
Chen Xiangrong, Cheng Yan, Gou Qingquan, Pang Xiaofeng
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    1999, 16 (4): 346-350.  
Abstract190)      PDF (205KB)(719)      
A simple three-parameter dynamical model in nonlinear quantum theory-the quant ized discrete self trapping equation is used to calculate the highly excited vi brational spectrum of CH stretches of CH4 molecule with up to total quantum number n=7. The results show the model calculations appear to describe the expe rimental data well.
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CONTROLLING CHAOS IN 1-D MAPS USING PERIODIC PERTURBATIONS
Cheng Yanxiang, Wang Guangrui, Chen Shigang
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    1997, 14 (3): 264-268.  
Abstract194)      PDF (195KB)(1164)      
A method for contolling chaos in one dimensinal (1-D)maps using periodic perturbation is presented.For a symbolic dynamics givers,the amplitude can be predetermined by means of inverse iterations of the critical point of the map.Properties of the method are illustrated numerically with logistic maps.
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