Emerging Half-Metallic\nProperty in the Kagome Lattice\nTi<sub>3</sub>Te<sub>5</sub> Monolayer

Two-dimensional materials with intrinsic magnetism have\nprovoked\ncomprehensive attention due to their potential application in spintronics.\nIn this work, based on density functional theory calculations, we\nreport two stable Kagome latticed monolayers, Ti<sub>3</sub>X<sub>5</sub> (X = Te, Bi), consisting of three titanium atoms and five\nTe (Bi) atoms per unit cell, with intrinsic magnetism and out-of-plane\nmagnetic easy axis. Both Ti<sub>3</sub>X<sub>5</sub> systems are found\nto have high thermodynamical and mechanical stability; meanwhile,\nthey exhibit mechanical isotropy reflected by Young’s modulus\nand Poisson’s ratio. Spin-polarized calculations show that\nthe Ti<sub>3</sub>Te<sub>5</sub> monolayer is a robust ferromagnetic\n(FM) half-metal (HM) with the respective Curie temperature (<i>T</i><sub>C</sub>) of 72 K, while the Ti<sub>3</sub>Bi<sub>5</sub> monolayer is an antiferromagnetic (AFM) metal with Néel temperatures\n(<i>T</i><sub>N</sub>) as high as 132 K. Furthermore, the\nmagnetism of the Ti<sub>3</sub>Te<sub>5</sub> monolayer is found to\nbe sensitive to the external strains, in which the FM HM to AFM metal\ntransition occurs when applying 2% compressive strain. Interestingly,\nthe out-of-plane to in-plane magnetic easy axis transition and higher\nthan room temperature <i>T</i><sub>C</sub> are achieved\nfrom 3% to 6% tensile strains. Our results may provide new clues for\nsearching and designing two-dimensional room temperature FM half-metals.