Defects engineering induced room temperature ferromagnetism in transition metal doped MoS2

• Published in: Materials & design Vol. 121; pp. 77 - 84
• Main Authors: Wang, Yiren, Tseng, Li-Ting, Murmu, Peter P., Bao, Nina, Kennedy, John, Ionesc, Mihail, Ding, Jun, Suzuki, Kiyonori, Li, Sean, Yi, Jiabao
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 05.05.2017
• Subjects: 2D materials; Defect engineering; Ferromagnetism; First principle calculations; Defect engineering; Ferromagnetism; First principle calculations; 2D materials

First principle calculations are employed to calculate the electronic structure and magnetic properties of transition-metal doped MoS2 considering the effects of defect/defect complex. It shows that pure MoS2 with both Mo and S vacancy are nonmagnetic. Mn, Fe, Co and Ni substitution in Mo site all l...