Spin-polarized electronic properties of NiHe0.25 under pressure

• 来源期刊: 中国物理B（英文版）
• 关键词: plane-wave method interaction potential electronic structure
• 年，卷（期）: 2009,（3）
• 页码范围: 1201-1206
• 页数: 6页
• 语种: 英文

摘要

This paper studies the effects of He atom on the spin-polarized electronic properties of nickel under pressures using ab initio pseudopotential plan-wave method. Under high pressures, the compound of NiHeo.25 can exist and helium-bubble can not create in Ni. A pressure-induced ferromagnetic to paramagnetic phase transition has been predicted in NiHe0.25 at about 218 GPa. It is found that under pressures, the magnetic property of Ni atoms is more strongly affected by He atom than by H atom and that the behaviour of He atom in Ni are completely different from that of H atom, like the bonding characteristics and the electron transfer.