Vacancy-hydrogen Complezes in ZnO

摘要：

Hydrogen is an important impurity in zinc oxide and can be incorporated into the lattice in several ways. Hydrogen can be also bound by vacancies that can be studied using positron annihilation techniques. Here we examine theoretically oxygen and zinc vacancies in ZnO, the latter also with hydrogen atoms inside. Several computational approaches are employed to determine the defect geometries and related positron characteristics. Positron-induced forces are also taken into account. Calculated positron lifetimes are compared with those observed in experiment, which gives an indication of the presence of zinc vacancy-hydrogen complexes in ZnO materials.

关键词： zinc ozide vacancy-hydrogen complezes positron annihilation positron-induced forces

作者: J.Kuriplach G.Brauer O.Melikhova J.(C)iz(e)k I.Procházka W.Anwand W.Skorupa

作者单位: Department of Low Temperature Physics,Faculty of Mathematics and Physics,Charles University in Pragu Institut für Ionenstrahlphysik und Materialforschung,Forschungszentrum Dresden-Rossendorf,P.O.Box 51 Institut für Ionenstrahlphysik und Materialforschung,Forschungszentrum Dresden-Rossendorf,P.Box 5101

会议类型: 国际会议

会议名称: 第九届国际正电子与正电子素国际会议(9th International Workshop on Positron and Positronium Chemistry)(PPC–9)

会议地点: 武汉

会议语种:英文

页码: 117-121

在线出版日期: 2008-05-11（万方平台首次上网日期，不代表论文的发表时间）