Development of spontaneous magnetism and half-metallicity in monolayer MoS2

• Published in: Journal of magnetism and magnetic materials Vol. 443; pp. 343 - 351
• Main Authors: Rahman, Altaf Ur, Rahman, Gul, García-Suárez, Víctor M.
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 01.12.2017; Elsevier BV
• Subjects: Charge transfer; Density functional theory; Doping; Electron spin; Electronegativity; Electronic devices; Electrons; Ferromagnetism; Light elements; Magnetic moments; Magnetism; Mean field theory; Metallicity; Molybdenum disulfide; Monolayers; Nanostructured materials; Spin-orbit interactions; Strain

•Spontaneous magnetism.•Half-Metallic Ferromagnetism.•Strain-driven magnetism. Half-metallic behavior and ferromagnetism are predicted in strained MoS2 with different light elements adsorbed using density functional theory. We find that strain increases the density of states at the Fermi energy for...