Tuning magnetic properties of single-layer MnTe2 via strain engineering

Multiple Topological Magnetism in van der Waals Heterostructure of MnTe2/ZrS2

“…For comparison, we also investigate the magnetic behavior of free-standing MnTe 2 . The corresponding magnetic moment is calculated to be 3.23 μ B per unit cell, which is in good agreement with the previous work . To get further insight into the magnetic properties of MnTe 2 /ZrS 2 , we adopt the following atomically resolved Hamiltonian. Here, S i is the unit vector (| S i | = 1) indicating the local spin of the i th Mn atom.…”

“…For comparison, we also investigate the magnetic behavior of free-standing MnTe 2 . The corresponding magnetic moment is calculated to be 3.23 μ B per unit cell, which is in good agreement with the previous work . To get further insight into the magnetic properties of MnTe 2 /ZrS 2 , we adopt the following atomically resolved Hamiltonian. H = − J ∑ false⟨ i , j false⟩ false( boldS i · boldS j false) − λ ∑ false⟨ i , j false⟩ false( S i z · S j z false) − K CA ∑ i ( S i z ) 2 − 1 2 μ 0 g 0 2 μ normalB 2 4 ∑ false⟨ i , j false⟩ 1 boldr i j 3 true[ boldS i · boldS j − 3 r i j 3…”

“…The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.nanolett.2c04388. Computational details of first-principles calculations and MC simulations, which include refs and − ; details of the underlying physics of OP magnetocrystalline anisotropy for MnTe 2 /ZrS 2 , which include ref ; typical stacking patterns, phonon spectra, AIMD simulation results, DOS, charge density difference, and band structure of MnTe 2 /ZrS 2 ; band structure and Δ E of free-standing MnTe 2 ; four different magnetic configurations used to obtain the magnetic parameters J , λ, and K CA ; Radius of magnetic skyrmions and topological number Q in MnTe 2 /ZrS 2 as functions of magnetic field; impact of d z on topological magnetisms; Spin textures of MnTe 2 /ZrS 2 under electric field of 0.05 V/nm and AB pattern (PDF) …”

Prediction of Intrinsic Valley Polarization in Single‐Layer GdX2 (X = Br, Cl) from a First‐Principles Study

“…[ 40 ] Changing the magnetization easy axis requires overcoming an energy barrier, which can usually be achieved by doping transition metal atoms, [ 57 ] functional radicals, [ 58 ] and applying strain. [ 59 ] As shown in Figure 4 a, we simulated the effect of magnetic fields of different orientations on the valley polarization of SL GdBr 2 . The valley polarization of SL GdBr 2 is sensitive to the spin orientation.…”

Magnetic and phonon transport properties of two-dimensional room-temperature ferromagnet VSe2

“…Biaxial strain is able to tune physical properties of 2D materials effectively, which is defined as e = [(aa 0 )/a 0 ] 9 100%, where a and a 0 are the lattice constants in the condition of strain and equilibrium. For 2D ferromagnet represented by CrX 3 (X = Cl, Br, and I) and MnX 2 (X = S, Se, and Te) [39][40][41][42], strain greatly enriches their electronic and magnetic properties, including the change of bandgap, the phase transition from FM state to AFM state, the significantly increased magnetic anisotropy energy (MAE) and T C , the flip of magnetization direction, etc. In order to meet different requirements, strain engineering is widely used to regulate thermal conductivity [43][44][45][46][47][48][49][50].…”