Half-metallic ferromagnetism prediction in MoS2-based two-dimensional superlattice from first-principles
发布时间：2025-04-30
点击次数：
- 发布时间：
- 2025-04-30
- 论文名称：
- Half-metallic ferromagnetism prediction in MoS2-based two-dimensional superlattice from first-principles
- 发表刊物：
- Mod. Phys. Lett. B
- 摘要：
- Half-metallic ferromagnetism (HMFM) has great potential application in spin filter. However, it is extremely rare, especially in two-dimensional (2D) materials. At present, 2D materials have drawn international interest in spintronic devices. Here, we use ab initio density functional theory (DFT) calculations to study the structural stability and electrical and magnetic properties of the MoS2-based 2D superlattice formed by inserting graphene hexagonal ring in 6 x 6 x 1 MoS2 supercell. Two kinds of structures with hexagonal carbon ring were predicted with structural stability and were shown HMFM. The two structures combine the spin transport capacity of graphene with the magnetism of the defective 2D MoS2. And they have strong covalent bonding between the C and S or Mo atoms near the interface. This work is very useful to help us to design reasonable MoS2-based spin filter.
- 合写作者：
- Y. N. Wen*, P. F. Gao, M. G. Xia, S. L. Zhang*
- 卷号：
- 卷: 32 期: 7
- 页面范围：
- 1850098
- 是否译文：
- 否
- 发表时间：
- 2018-03-10