Stability of Half-Metallic Ferromagnetism of Zinc-Blende Type CrAs and MnM (M=Si, Ge and Sn)
Stability of Half-Metallic Ferromagnetism of Zinc-Blende Type CrAs and MnM (M=Si, Ge and Sn)
复制标题
闪锌矿型 CrAs 和 MnM（M=Si、Ge 和 Sn）半金属铁磁性的稳定性
DOI：
10.1143/jpsj.71.2534
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发表时间：
2002
影响因子：
1.7
通讯作者：
A. Sakuma
中科院分区：
文献类型：
--
作者：
A. Sakuma
通过电子结构和有效交换常数的第一性原理计算，研究了锌-闪锌矿（ZB）型CrAs的铁磁性稳定性，并进一步研究了ZB型Mn - M （M =Si， Ge和Sn）具有铁磁性的可能性。由Akinaga小组报道的半金属铁磁体ZB型CrAs[日本]。j:。在GaAs晶格常数（a =5.65 a）之上，发现其有效交换常数（J 0 =∑i≠0 J i 0）大于150 meV，在室温以上表现出相当稳定的铁磁性。我们预测价电子数与CrAs相同的ZB型Mn M （M =Ge, Si, Sn）在a =5.82 a时也表现出足够大的正j0的半金属铁磁性，表明居里温度至少高于室温。
By the first-principles calculations both for electronic structures and effective exchange constants, we investigate the stability of ferromagnetism of zinc-blende (ZB) type CrAs, and further examine a possibility of ferromagnetism of ZB type Mn M ( M =Si, Ge and Sn). ZB type CrAs, a half-metallic ferromagnet reported by Akinaga's group [Jpn. J. Appl. Phys. 39 (2000) L1118], is found to have an effective exchange constant ( J 0 =∑ i ≠0 J i 0 ) larger than 150 meV above the lattice constant of GaAs ( a =5.65 A), showing quite stable ferromagnetism above room temperature as was observed experimentally. We predict that ZB type Mn M ( M =Ge, Si, Sn) whose valence electron numbers are the same as that of CrAs also exhibit half-metallic ferromagnetism having a positive J 0 large enough at a =5.82 A, indicating that the Curie temperatures are higher at least than room temperature.