Details

Autor(en) / Beteiligte

• 巩纪军 陈继培 张飞 吴昊 秦明辉 曾敏 高兴森 刘俊明

Titel

Tailoring the structural and magnetic properties of Cu-doped ZnO by c-axis pressure

Ist Teil von

• Chinese physics B, 2015-03, Vol.24 (3), p.353-357

Erscheinungsjahr

2015

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• The structural and magnetic properties of the Cu-doped ZnO（ZnO：Cu） under c-axis pressure were studied using first-principle calculations. It was found that the ZnO：Cu undergoes a structural transition from Wurtzite to Graphite-like structure at a c-axis pressure of 7–8 GPa. This is accompanied by an apparent loss of ferromagnetic stability, indicating a magnetic transformation from a ferromagnetic state to a paramagnetic-like state. Further studies revealed that the magnetic instability is closely related to the variation in crystalline field originated from the structural transition, which is in association with the overlapping of spin–charge density between the Cu^2＋ and adjacent O^2-.