An MD Study of the Temperature Effect on H Interacting with SiC （100）

作     者：SUN Weizhong ZHAO Chengli ZHANG Junyuan CHEN Feng GOU Fujun 

作者机构：Key Laboratory of Radiation Physics and Technology Ministry of Education Institute of Nuclear Science and Technology Sichuan University Chengdu 610064 China Institute of Plasma Surface Interactions Guizhou University Guiyang 550025 China FOM Institute for Plasma Physics 3439 MN Nieuwegein the Netherlands 

出 版 物：《Plasma Science and Technology》 (等离子体科学和技术（英文版）)

年 卷 期：2012年第14卷第12期

页      面：1121-1124页

核心收录：

学科分类：080903[工学-微电子学与固体电子学] 0809[工学-电子科学与技术（可授工学、理学学位）] 08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0702[理学-物理学] 

基　　金：supported by the Program for Outstanding Young Scientific and Technological Personnel Training of Guizhou Province of China (No. 700968101) and the International Thermonuclear Experimental Reactor (ITER) Special Program of China (No. 2009GB104006) 

主　　题：molecular dynamics surface temperature retention atomic density bond 

摘      要：Molecular dynamics simulations were performed to study the interaction between atomic hydrogen and silicon carbide. In the present study, we focus on the effect of the surface temperature on H interacting with silicon carbide. The simulation results show that the retention of H atoms in the sample decreases linearly with increasing surface temperature. The depth profile analysis shows that the sample is modified by H bombardment, and 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 bulk. However, near the surface region the densities of H, Si and C atoms are almost equivalent. In the modified layer, the bonds consist of Si-C and Si-H and C-H. The fraction of Si-C bonds is the greatest. Only a few C-H bonds are present.