Electronic structure calculations of hexagonal and cubic phases of Co3Pt
Electronic structure calculations of hexagonal and cubic phases of Co3Pt
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DOI：
10.1063/1.1556200
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发表时间：
2003-05
影响因子：
3.2
通讯作者：
S. Willoughby;R. Stern;R. Duplessis;J. M. Maclaren;M. McHenry;D. Laughlin
中科院分区：
文献类型：
--
作者：
S. Willoughby;R. Stern;R. Duplessis;J. M. Maclaren;M. McHenry;D. Laughlin
利用第一性原理电子结构计算，我们研究了三个不同的阶段Co3Pt的结构和磁性。弛豫晶格常数，总能量，磁晶各向异性，和状态密度计算为每个阶段在其平衡晶格常数，以及根据膨胀和收缩应力。这些计算可能有助于澄清最近一些关于Co3Pt的模糊实验的结果。
Using first principles electronic structure calculations we investigated structural and magnetic properties of three distinct phases of Co3Pt. Relaxed lattice constants, total energies, magnetocrystalline anisotropies, and density of states were calculated for each phase at their equilibrium lattice constants, as well as under expansion and contraction stresses. These computations may help clarify the results of some recent but ambiguous experiments on Co3Pt.