排序方式: 共有2条查询结果,搜索用时 0 毫秒
1
1.
First-Principles Investigation on the Fully Compensated Ferrimagnetic Behavior in Ti_2NbSb and TiZrNbSb 下载免费PDF全文
The electronic structures of Ti_2NbSb with Hg_2CuTi structure and TiZrNbSb with LiMgPdSn structure are investigated using first-principles calculations.The results indicate that Ti_2NbSb is a fully compensated ferrimagnetic spin-gapless semiconductor with an energy gap of 0.13 e V,and TiZrNbSb is a half-metallic fully compensated ferrimagnet with a half-metallic gap of 0.17 e V.For Ti_2NbSb,the total energy of the Hg_2CuTi structure is0.62 e V/f.u.higher than that of the L2_(1) structure,which is the ground state,and for TiZrNbSb,the total energy of the structure considered in this work is only 0.15 e V/f.u.larger than that of the ground state.Thus both of them may be good candidates for spintronic applications. 相似文献
2.
采用第一性原理计算方法研究C掺杂对Mn3Ge的影响.对Mn3-xGeCx的晶体结构进行几何优化,发现C原子最稳定的掺杂位置在正八面体的中心位置.研究其电子结构和总磁矩随C掺杂量的变化,发现总磁矩随着C浓度的增加先减小后增大,其中Mn3GeC0.4总磁矩接近零,可以实现完全的磁性补偿.研究Mn3GeC0.4多层膜的磁性,给出总磁矩接近零的Mn3GeC0.4多层膜结构,为Mn3Ge的实际应用提供参考. 相似文献
1