• 作者： 林叔芽
• 作者服務機構： 清華大學電機工程學系
• 中文摘要： 我們對於a-Si:（H,N）合金內一些可能局部鍵結構（local bonding configuration），計算了其振盪狀態密度，對於孤立的SiH和孤立的Si3N，我們求得Si-H鍵和Si-N鍵良好的拉伸振盪模式（stretching mode）。對於氫和氮與同一矽結合，Si-H鍵和Si-N鍵的拉伸振盪頻率呈現上升，這點和在高溫的基質（substrate）下蒸鍍的a-Si:（H,N）薄膜的性質符合。 在電子狀態密度的計算方面，對於在非晶形矽中理想的氫或氮的鍵結構，我們並沒有發現深的缺陷狀態。氫和氮會在能帶靠近能隙的地方產生局部化的缺陷狀態。
• 英文摘要： We have calculated the vibrational density of states for several local bonding configurations in a-Si:(H, N) alloys. We have obtained very good bond-stretching modes for both isolated SiH and isolated Si3Ngroups. The shift-up of bond-stretching frequencies for both S1-H and S1-N bonds could explain thebonding of the H and N to the same Si atom site, which occurred in the high substrate temperature Tsdeposited films. In the electronic study, we found no deep defect gap states induced by the ideal bonding configu-rations of H, N in a-Si. Both H and N could induce some localized states near the band edges.
• 中文關鍵字： vibrational; electronic; density of states; bond-stretching; defect; locahzed states
• 英文關鍵字： --