Spin--polarized electronic properties of NiHe0.25 under pressures |
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Authors: | San Xiao-Jiao Liu Zhi-Ming Ma Yan-Ming Cui Tian Liu Bing-Bing and Zou Guang-Tian |
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Institution: | National Laboratory of Superhard Materials,Jilin University;Center for Condensed Matter Science and Technology,Department of Physics,Harbin Institute of Technology |
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Abstract: | This paper studies the effects of He atom on the spin-polarized
electronic properties of nickel under pressures using {\it ab
initio} pseudopotential plan-wave method. Under high pressures, the
compound of NiHe0.25 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. |
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Keywords: | plane-wave method interaction
potential electronic structure |
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