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Electron Mobility in Silicon Under Uniaxial[110] Stress
MA Jianli, FU Zhifen, LI Yang, TANG Xudong, ZHANG Heming
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2017, 34 (4): 483-488.  
Abstract631)   HTML2)    PDF (1711KB)(1397)      
Conduction band structure of silicon under uniaxial[110] stress is studied with two band k·p perturbation theory. Splitting energy of conduction band minima and electron effective mass as a function of stress and direction electron mobility in uniaxial stressed silicon are obtained with relax time approximate theory. Intervalley scattering, intravalley scattering, and ionized impurity scattering are considered in calculation. It is demonstrated that as uniaxial[110] stress is applied on silicon crystal, a significant anisotropy in electron mobility can be observed. Among crystal directions[001],[110], and[110], electron mobility along[110] direction under uniaxial[110] tensile stress has a profound enhancement, which increase from 1 450 cm2·Vs-1 to 2 500 cm2·Vs-1 as stress change from 0 to 2 GPa. Electron mobility enhancement is mainly due to uniaxial stress induced conduction effective mass reduction, while suppression of intervalley scattering plays a minor role.
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Growth Dynamics and Free Energy of C36 Cluster
GAO Juan, SHENG Zongqiang, MENG Ying, FU Zhifen
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2014, 31 (2): 247-252.  
Abstract439)      PDF (1733KB)(1104)      
Molecular dynamical simulations of C36 are performed under gaseous growth conditions at about 2 300 K. Probabilities of 20 lowest energy isomers in resultant clusters are calculated. It shows that C36 system reaches a kinetic equilibrium within about 100 nanoseconds and the most probable isomer is a D2d cage rather than a D6h cage,though the later has the lowest potential. Several bowl isomers with higher potential energy and free energy appear with comparable probabilities rather than classical isomers.
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