First-principles study of charging effect on magnetism of Pd (100) ultrathin films
First-principles study of charging effect on magnetism of Pd (100) ultrathin films
复制标题
DOI：
10.1063/1.4757409
复制
发表时间：
2012-10
影响因子：
3.2
通讯作者：
S. Aihara;H. Kageshima;T. Sakai;Tetsuya Sato
中科院分区：
文献类型：
--
作者：
S. Aihara;H. Kageshima;T. Sakai;Tetsuya Sato
用赝势方法计算了2-6层Pd（100）薄膜的电子结构，发现在4层Pd（100）薄膜中存在稳定的铁磁性，在3和4层Pd（100）薄膜中存在磁性相变。由于费米能eF处4dxz，yz平带的态密度很大而出现的铁磁性，可以通过改变4d平带对eF的贡献来充电来操纵，其中表面载流子密度>1013 cm−2是磁相变所必需的。这可以使用诸如双电层晶体管的技术来实验性地实现。
Calculations of electronic structure of free-standing Pd (100) ultrathin films of 2–6 monolayers (MLs), using first-principles calculation with pseudopotential method, show stable ferromagnetism in 4 ML and induced magnetic phase transition in 3 and 4 MLs by charging. The ferromagnetism, appearing due to large density of states attributed to 4dxz,yz flat bands at Fermi energy eF, can be manipulated by charging through the change in the contribution of the 4d flat bands to eF, where the surface carrier density of >1013 cm−2 is necessary for the magnetic phase transition. This can be experimentally realized using techniques such as electric double layer transistors.