[14p-F201-1~14] 15.7 Crystal evaluation, impurities and crystal defects

[14p-F201-11] Defect reactions of hydrogen impurity with Cu₄ complex in silicon

〇Koun Shirai¹, Takayoshi Fujimura¹ (1.ISIR, Osaka Univ.)

Keywords:Cu complex, Hydrogenation

Cu complex Cu4 is a quit stable defect formed in crystalline silicon. However, experiments show that this complex can be dissolved by hydrogenation. The details of this process has not been known. Previously, we showed by DFT calculation that the reaction of hydrogen with Cu4 complex proceeds to form large complexes Cu4Hm. In the present time, we have shown that further adding H atoms to Cu4Hm complex yields H2 molecules, breaks Cu-Cu bonds, and finally Cu4 is dissolved.