中国物理B ›› 2017, Vol. 26 ›› Issue (3): 37104-037104.doi: 10.1088/1674-1056/26/3/037104
• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇 下一篇
Wenbo Li(李文波), Ling Li(李玲), Fangfang Wang(王方方), Liu Zheng(郑柳), Jinghua Xia(夏经华), Fuwen Qin(秦福文), Xiaolin Wang(王晓琳), Yongping Li(李永平), Rui Liu(刘瑞), Dejun Wang(王德君), Yan Pan(潘艳), Fei Yang(杨霏)
Wenbo Li(李文波)1, Ling Li(李玲)2, Fangfang Wang(王方方)2, Liu Zheng(郑柳)2, Jinghua Xia(夏经华)2, Fuwen Qin(秦福文)3, Xiaolin Wang(王晓琳)1, Yongping Li(李永平)2, Rui Liu(刘瑞)2, Dejun Wang(王德君)1, Yan Pan(潘艳)2, Fei Yang(杨霏)2,4
摘要: The effect of phosphorus passivation on 4H-SiC(0001) silicon (Si) dangling bonds is investigated using ab initio atomistic thermodynamic calculations. Phosphorus passivation commences with chemisorption of phosphorus atoms at high-symmetry coordinated sites. To determine the most stable structure during the passivation process of phosphorus, a surface phase diagram of phosphorus adsorption on SiC (0001) surface is constructed over a coverage range of 1/9-1 monolayer (ML). The calculated results indicate that the 1/3 ML configuration is most energetically favorable in a reasonable environment. At this coverage, the total electron density of states demonstrates that phosphorus may effectively reduce the interface state density near the conduction band by removing 4H-SiC (0001) Si dangling bonds. It provides an atomic level insight into how phosphorus is able to reduce the near interface traps.
中图分类号: (Semiconductor compounds)