【中文摘要】 在测得Ａｌ０．２６Ｇａ０．７４Ａｓ:Ｓｎ混晶中两类类ＤＸ中心的电子热俘获势垒精细结构后,研究和确定了其相关的束缚能、晶格驰豫能和光离化能．采用第一原理赝势法的计算和分析结果表明,Ｓｎ施主杂质次近邻Ａｌ/Ｇａ原子的不同局域组分所引起的Ｓｎ杂质及其最近邻Ａｓ原子的不同晶格驰豫,是产生两类类ＤＸ中心能级精细结构的主要原因．
【英文摘要】 The corraspondent values of binding energy, lattices relaxation energy and optical ionization energy of two DX - like centers in Al0.26Ga0.74 As: Sn alloy semiconductors were deduced after their fine structures of capture barrier were obtained. The ab initio calculations show that fine structures of the two DX-like centers are mainly contributed to different local configurations of the second nearest Al/Ga atoms of Sn donor impurities caused by the alloy random effect.国家“863”计划(批准号715－010－0022);国家自然科学基金(批准号69976023);福建省自科学基金(批准号A0020001)以及教育部基金部分资助课
