Two dimensional Janus Ti-trihalide monolayers with half-metallic characteristics, Mott insulator properties and tunable magnetic anisotropy

Abstract

Two-dimensional (2D) ferromagnets have attracted widespread attention due to their prospects in spintronic applications. Here, the electronic and magnetic properties of Ti2X3Y3 (X, Y = I, Br, Cl) monolayers are...

Transition in electronic and magnetic properties of transition metal embedded semimetallic B-graphyne

“…The results show that the T C values of TM@B-GY are all lower than room temperature, and the T C of Co@B-GY is the largest. Compared with the previously reported magnetic materials TiI 3 (9 K), 43 TiCl 3 (8 K) 43 and Nb 3 Cl 8 (31 K), 44 Co@B-GY has higher T C .…”

Intrinsic ferromagnetism in two-dimensional 1T-MX2monolayers with tunable magnetocrystalline anisotropy

“…50 They are comparable to those of most 2D monolayers, indicating the flexibility and capability of enduring strains. 45,51 Fig. 3 shows the variations of the exchange energy DE and the MCA energy as a function of biaxial strain.…”

“…Note that these strain-induced modulations in MCA are comparable to those of Janus Ti-trihalide, 1T-VSe 2 Fe 2 Si and Fe 2 Ge monolayers. 51,53,54 Therefore, the strain-driven behavior of these 2D FM materials, especially for the 1T-CoAs 2 with unable PMA, can potentially fulfill the opposing requirements for MCA in the optimized MTJs combining the data stability and low-power operation. 55,56 To reveal the microscopic mechanism of the strain-driven modifications of MCA, we calculate the spin-orbit coupling (SOC) energy difference (DE soc ), i.e.…”

Valley polarization and magnetic anisotropy of two-dimensional Ni2Cl3I3/MoSe2 heterostructures

“…14 Janus Ti-trihalide monolayers maintain half-metallic properties and Mott insulator properties. 15 High spin mobility and dynamically as well as thermodynamically stable behavior at high temperatures are exhibited by 2D Ni-trihalide monolayers, which also display DHM behaviour. 16 The Janus structure of Ni 2 Cl 3 I 3 as a transition metal Ni-trihalide retains the DHM behavior with an FM ground state and a Curie temperature of 105 K. 17 The breaking of mirror symmetry in transition metal trihalides through the design of Janus structures invariably leads to the emergence of new phenomena, including phase transitions, magnetism, and ferroelectricity.…”