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国家自然科学基金(ss10574053)

作品数:1 被引量:1H指数:1
发文基金:国家自然科学基金国家重点基础研究发展计划更多>>
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Spin-polarized electronic properties of NiHe_(0.25) under pressure被引量:1
2009年
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 NiHeo.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.
伞晓娇刘志明马琰铭崔田刘冰冰邹广田
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