Temperature Effect On H Interacting With SiC(100):MD Study

作     者：SUN Wei-zhong~1,ZHAO Cheng-li~2,ZHANG Jun-yuan~1,LU Xiao-dan~2,F.Gou~(1,3+) (1.Key Laboratory of Radiation Physics and Technology,Ministry of Education Institute of Nuclear Science and Technology,Sichuan University,Chengdu 610064,P.R.China 2.Institute of Plasma Surface Interactions,Guizhou University,550025,Guiyang,P.R.China 3.FOM Institute for Plasma Physics,3439 MN Nieuwegein,The Netherlands) 

会议名称：《第十五届全国等离子体科学技术会议》

会议日期：2011年

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 070301[理学-无机化学] 

基　　金：Project supported by International Thermonuclear Experimental Reactor(ITER) program special (Grant No.2009GB104006) Outstanding young scientific and technological personnel training program of Guizhou Province(Grant No.:700968101) 

关 键 词：molecular dynamic surface temperature retention atomic density bond 

摘      要：Molecular dynamics simulations were performed to study interactions between atomic hydrogen and silicon *** present study,we focus on the effect of the surface temperature on H interacting with silicon *** simulation results show that with increasing surface temperature,the retention of H atoms in the sample decreases *** depth profile analysis shows that after the sample is modified by H bombardment,the density of H atoms is greater than those of Si and C atoms near the interface region between the H-containing region and the ***,near the surface region the density of H,Si and C atoms are almost *** the modified layer,the bonds are consisted of Si-C and Si-H and *** fraction of bonds Si-C is the *** few C-H bonds are present.