Curie temperature of body-centered-tetragonal Ni

Curie temperature of body-centered-tetragonal Ni
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体心四方镍的居里温度

DOI:
10.1016/j.jmmm.2006.10.240
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发表时间:
2007-03
影响因子:
2.7
通讯作者:
--
中科院分区:
材料科学3区
文献类型:
--
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Body-centered-cubic (bcc) Ni, which does not exist in nature, has recently been achieved as a thin film on GaAs (001) via molecular beam epitaxy. Its Curie temperature (Tc) is determined to be 456K, much lower than that of face-centered-cubic (fcc) Ni (627K). In order to understand how Tcdepends on the lattice structure, we have conducted a systematic study on the Curie temperature as a function of the tetragonal distortion (c/a), i.e., the gradual transformation from bcc-Ni (c/a=1) to fcc-Ni (c/a=1.414), using the self-consistent all electron linearized augmented plane-wave (LAPW) method in the local spin-density approximation (LSDA) together with the Monte Carlo (MC) simulations. The result shows that Tcdoes increase monotonously about 180K as the c/a ratio changes from bcc to fcc-Ni, which clearly explains and confirms the experimental observations.
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