Magnetic Behaviors of 3d Transition Metal-Doped Silicane: a First-Principle Study

Abstract

We perform a first-principle computation on the magnetic properties of 3d transition metal (TM)-doped silicane. All the substituted systems are energetically stable. Robust half-metallic properties are found in Ti-, V- and Mn-substituted silicane. At the dopant concentration of 12.5%, we evaluate that the Curie temperature of Ti- and Mn-substituted silicane is at 340 and 666 K respectively in the mean-field approximation. Consequently, room-temperature ferromagnetism is easily achievable in Ti- and Mn-substituted silicane. Our work demonstrates potential application of Ti and Mn-substituted silicane for room-temperature spintronic devices.