Electronic structures and magnetism of CuAu-type MnNi and MnGa
Electronic structures and magnetism of CuAu-type MnNi and MnGa
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DOI：
10.1016/s0304-8853(98)00115-2
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发表时间：
1998-08-01
影响因子：
2.7
通讯作者：
Sakuma, A
中科院分区：
文献类型：
--
作者：
Sakuma, A
本文用LMTO-ASA方法研究了CuAu型MnNi和Mn（ja）的电子和磁性结构，并在LSD框架下考虑了自旋轨道相互作用.在MnNi中，Mn磁矩的ar，ti平行排列通过在能带中形成伪能隙来降低电子能量。Mn矩位于c平面内，值为3.29 μ（B）。磁晶各向异性常数K-u为-9.7 × 10 ~（5）J/m ~（3）。在MnGa中，Mn d电子和离域Ga p电子之间的杂化促进了Mn d电子的巡回性。这将Mn磁矩降低到2.51 mu（B），但沿着c轴铁磁排列磁矩，K-u为2.6 x 10（6）J/m（3）。根据这两个结果，我们讨论了锰合金具有金属铁磁性的条件。(C)1998 Elsevier Science B. V.保留所有权利。
Electronic and magnetic structures of CuAu-type MnNi and Mn(ja have been studied by LMTO-ASA including the spin-orbit interaction in the frame of the LSD. In MnNi, the ar,ti-parallel arrangement of the Mn moments lowers the electronic energy by forming a pseudo-gap in the energy bands. The Mn moment lies in the c-plane with a value of 3.29 mu(B). The magnetocrystalline anisotropy constant, K-u is found to be - 9.7 x 10(5) J/m(3). In MnGa, the hybridization between the Mn d electrons and the delocalized Ga p electrons promotes an itineracy of the Mn d electrons. This reduces the Mn moment to 2.51 mu(B) but aligns the moments ferromagnetically along the c-axis with K-u of 2.6 x 10(6) J/m(3). Based on these two results, we have discussed the condition of metallic ferromagnetism of the Mn alloys. (C) 1998 Elsevier Science B.V. All rights reserved.