.png){kind=icon}
返回
Exploring spin multiplicity in MoS2
.png){kind=icon}
PRE
AI
DOI：10.1039/d4nr03701d.png)
.png){kind=icon}
原文求助.png){kind=icon}
分享.png){kind=icon}
收藏
摘要
En 中文
The study of native point-defect-induced spin centres and the synergy of their origin and dynamics are key factors for developing the next-generation spintronics and quantum technologies using quasi-2D transition-metal dichalcogenides (TMDCs). With the help of low-temperature electron paramagnetic resonance (EPR) measurements and first-principles calculations within density functional theory (DFT), herein we report for the very first time the presence of high-spin paramagnetic centres Mo3+ and Mo2+ in sulfur-deficient hexagonal molybdenum disulfide (2H-MoS2-x) nanocrystals. This in fact opposes the established notion of spin S = 1/2 mediated by Mo5+ centres reported so far. The intrinsic lattice strain generated in the nanostructure was found to play a crucial role for such spin localization in this layered material. By performing spin-echo measurements, we find that molybdenum interstitials (S = 3/2) possess the shortest spin-lattice relaxation time (T1) as compared to the sulfur (S = 3/2) and oxygen vacancies (S = 1/2). Moreover, the temperature-dependent T1 measurements revealed a direct process for the spin-lattice relaxation of interstitial defects and a Raman process for the vacancy sites.
Keyword:
DENSITY-FUNCTIONAL THEORY
ELECTRONIC-STRUCTURE
RESONANCE
DEFECTS
FERROMAGNETISM
SPINTRONICS
RELAXATION
COHERENCE
期刊
IF:
5.1
论文数:
3.0W
被引数:
11.6W
机构
引用论文
Linear response approach to the calculation of the effective interaction parameters in the LDA+U method在LDA U方法中计算有效相互作用参数的线性响应方法.png)
PHYSICAL REVIEW B
OAAI
PHYSICAL REVIEW BIF3.7
OAAI分享收藏Effect of the Damping Function in Dispersion Corrected Density Functional Theory色散校正密度泛函理论中阻尼函数的影响
PREAI
分享收藏
查看更多内容