Prediction of LiCrTe_(2)monolayer as a half-metallic ferromagnet with a high Curie temperature

By using first-principles electronic structure calculations,we predict a new two-dimensional half-metallic ferromagnet(2DHMF)with distorted square structure,i.e.,the LiCrTe_(2) monolayer.The results show that the LiCrTe_(2) monolayer is dynamically,thermally,and mechanically stable,and takes a large in-plane magnetic anisotropy,a wide spin gap,a large magnetization,and a very high Curie temperature.Under a biaxial strain ranging from-5% to+5%,the ferromagnetism,half-metallicity,and high Curie temperature are maintained well.Both tensile and compressive strains can significantly increase the magnitude of the magnetocrystalline anisotropy energy(MAE)and a transition from in-plane easy-x(y)-axis to out-of-plane easy-z-axis occurs when the compressive strain exceeds 1%.Our systematic study of the LiCrTe_(2) monolayer enables its promising applications in spintronics.