Two-dimensional HfCr2N4 semiconductor with intrinsic room-temperature ferromagnetism and enhanced conductivity via electrostatic doping

Abstract

Two-dimensional semiconductors with room-temperature intrinsic ferromagnetism and superior conductivity are crucial components for low-dimensional semiconductor spintronic devices. Based on density functional theory and Boltzmann transport theory, we investigate the electromagnetic and transport properties of the HfCr2N4 monolayer and modulate these properties via electrostatic doping. The HfCr2N4 monolayer is an intrinsic ferromagnetic semiconductor with a narrow band gap of 0.18 eV. The notably high Curie temperature of 719 K is highly desired for the practical applications of two-dimensional ferromagnetic materials. Under electrostatic doping, the HfCr2N4 monolayer maintains its ferromagnetic ground state, easy magnetization xy-plane, and high Curie temperature. Interestingly, owing to the narrow band gap of the HfCr2N4 monolayer, a significant enhancement in conductivity is observed at lower carrier doping concentrations, leading to a transition from a semiconductor to a half-metal. These unique features can be utilized to represent binary states ‘0’ and ‘1’. Our results indicate that the HfCr2N4 monolayer emerges as an ideal candidate for dual-gate field effect transistors.