• 作者： 林叔芽
• 作者服務機構： 國立清華大學電機工程學系
• 中文摘要： 一種結合緊束法和原子團貝他晶格法的方法，用來研究吸附氮砷化鎵（110）表面和砷化銖內的電子性質。 主要的工作是求電子狀態密度。砷化鎵貝他晶格，氮吸附表面的不同化學結合，以及內部不同的空鍵和錯鍵缺陷結構的電子狀態密度都被分別計算出來。計算的結果，顯示不論是氮吸附到表面的砷原子或鎵原子，總有一些電荷由表面砷原子轉移到鎵原子或氮原子。鎵的空鍵在靠近價鍵帶的能隙中產生一非結合鍵的狀態，砷的空鍵在靠近傳導帶的能隙中產生一非結合鍵的狀態，此兩者非結合鍵的狀態均為部分填滿狀態。Ga－Ga鍵在價鍵帶上端產生空的狀態，As－As鍵在傳導帶底端靠近能隙處產生缺陷狀態。
• 英文摘要： The tight-binding/cluster-Bethe-lattice approach is used to study the electronic properties of thenitrogen adsorbed GaAs (110) surface and defect states in GaAs. The electronic density of states for the GaAs Bethe lattice, different chemical bonding configura-tions of a nitrogen adsorbed GaAs (110) surface, and different defect bonding configurations of danglingand wrong bonds in GaAs are calculated. There is some charge transfer from the surface As to nitrogen andthe surface Ga when nitrogen is chemisorbed either to the surface Ga or to the surface As. The Ga danglingbond generates a non-bonding state in the gap near the valence band. The As dangling bond generates anon-bonding state in the gap near the conduction band. Both non-bonding states are partially filled withelectrons. The Ga-Ga bond in the bulk induces some empty states near the top of the valence band. TheAs-As bond induces some defect states in the conduction band edge near the band gap.
• 中文關鍵字： tight-binding method; cluster-bethe-lattic method; dangling bond; wrong bond
• 英文關鍵字： --