Search Results (11)

In recent years, the discovery of the two-dimensional (2D) intrinsically ferromagnetic monolayer CrI₃ has opened up promising avenues for the advancement of spintronic devices. Nevertheless, the relatively low Curie temperature poses a significant challenge for practical applications. Herein, we determine changes in the superexchange interaction of ferromagnetic coupling caused under pressure by using first-principles calculations and Monte Carlo simulations. Based on the superexchange interaction of ferromagnetic coupling, the effect of applying high pressure on the Curie temperature of monolayer CrI₃ is investigated. With a pressure coefficient of 2.0%, the Curie temperature is enhanced to 97.3 K, which is nearly double that of the monolayer CrI₃ without pressure. In addition, the direction of the easy magnetization axis changes from the out-of-plane to the in-plane one when the pressure coefficient is 1.2%. Meanwhile, the band gap of monolayer CrI₃ can be transformed from indirect to direct by applying high pressure. Our work enriches the process of modulating the magnetic and electronic properties of 2D monolayer materials. Full article

Two-dimensional (2D) materials with inherent magnetism have attracted considerable attention in the fields of spintronics and condensed matter physics. The anomalous Hall effect (AHE) offers a theoretical foundation for understanding the origins of 2D ferromagnetism (2D-FM) and offers a valuable opportunity for applications in topological electronics. Here, we present uniform and large-size 2D Cr₇Te₈ nanosheets with varying thicknesses grown using the chemical vapor deposition (CVD) method. The 2D Cr₇Te₈ nanosheets with robust perpendicular magnetic anisotropy, even a few layers deep, exhibit a Curie temperature (T_C) ranging from 180 to 270 K according to the varying thickness of Cr₇Te₈. Moreover, we observed a temperature-induced reversal in the sign of the anomalous Hall resistance, correlating with changes in the intrinsic Berry curvature. Additionally, the topological Hall effect (THE) observed at low temperatures suggests the presence of non-trivial spin chirality. Our findings about topologically non-trivial magnetic spin states in 2D ferromagnets provide a promising opportunity for new designs in magnetic memory spintronics. Full article

Two-dimensional (2D) van der Waals (vdW) magnetic materials show potential for the advancement of high-density, energy-efficient electronic and spintronic applications in future memory and computation. Here, by using first-principles density functional theory (DFT) calculations, we predict a new 2D Janus nitride MXene MnCrNO₂ monolayer. Our results suggest that the optimized MnCrNO₂ monolayer possesses a hexagonal structure and exhibits good dynamical stability. The intrinsic monolayer MnCrNO₂ exhibits semiconductive properties and adopts a ferromagnetic ground state with an out-of-plane easy axis. It can sustain strain effects within a wide range of strains from −10% to +8%, as indicated by the phonon dispersion spectra. Under the biaxial tensile strain, a remarkable decrease in the bandgap of the MnCrNO₂ is induced, which is attributed to the distinct roles played by Mn and Cr in the VBM or CBM bands. Furthermore, when the compressive strain reaches approximately −8%, the magnetic anisotropy undergoes a transition from an out-of-plane easy axis to an in-plane easy axis. This change is mainly influenced by the efficient hybridization of the d orbitals, particularly in Mn atoms. Our study of the Janus MXene MnCrNO₂ monolayer indicates its potential as a promising candidate for innovative electronic and spintronic devices; this potential is expected to create interest in its synthesis. Full article

A large perpendicular magnetic anisotropy and a high Curie temperature (T_C) are crucial for the application of two-dimensional (2D) intrinsic ferromagnets to spintronic devices. Here, we investigated the electronic and magnetic properties of carrier-doped Van der Waals layered CrSX (X = Cl, Br, I) ferromagnets using first-principles calculations. It was found that hole doping can increase the magnitude of the magnetic anisotropy energy (MAE) and change the orientation of the easy magnetization axis at small doping amounts of 2.37 × 10¹³, 3.98 × 10¹², and 3.33 × 10¹²/cm² for CrSCl, CrSBr, and CrSI monolayers, respectively. The maximum values of the MAE reach 57, 133, and 1597 μeV/u.c. for the critical hole-doped CrSCl, CrSBr, and CrSI with spin orientation along the (001) direction, respectively. Furthermore, the Fermi energy level of lightly hole-doped CrSX (X = Cl, Br, I) moves into the spin-up valence band, leading to the CrSX (X = Cl, Br, I) magnetic semiconductor monolayer becoming first a half-metal and then a metal. In addition, the T_C can also be increased up to 305, 317, and 345 K for CrSCl, CrSBr, and CrSI monolayers at doping amounts of 5.94 × 10¹⁴, 5.78 × 10¹⁴, and 5.55 × 10¹⁴/cm², respectively. These properties suggest that the hole-doping process can render 2D CrSX (X = Cl, Br, I) monolayers remarkable materials for application to electrically controlled spintronic devices. Full article

Since the discovery of the low-temperature, long-range ferromagnetic order in monolayers Cr₂Ge₂Te₆ and CrI₃, many efforts have been made to achieve a room temperature (RT) ferromagnet. The outstanding deformation ability of two-dimensional (2D) materials provides an exciting way to mediate their intrinsic ferromagnetism (FM) with strain engineering. Here, we summarize the recent progress of strain engineering of intrinsic FM in 2D van der Waals materials. First, we introduce how to explain the strain-mediated intrinsic FM on Cr-based and Fe-based 2D van der Waals materials through ab initio Density functional theory (DFT), and how to calculate magnetic anisotropy energy (MAE) and Curie temperature (T_C) from the interlayer exchange coupling J. Subsequently, we focus on numerous attempts to apply strain to 2D materials in experiments, including wrinkle-induced strain, flexible substrate bending or stretching, lattice mismatch, electrostatic force and field-cooling. Last, we emphasize that this field is still in early stages, and there are many challenges that need to be overcome. More importantly, strengthening the guideline of strain-mediated FM in 2D van der Waals materials will promote the development of spintronics and straintronics. Full article

Polymer-assisted deposition (PAD) has been widely used in the preparation of high-quality oxides and sulfides for basic research and applications. Specifically, diverse PAD-prepared magnetic material thin films such as ZnO, Ga₂O₃, SrRuO₃, LaCoO₃, LaMnO₃, Y₃Fe₅O₁₂, MoS₂, MoSe₂, and ReS₂ thin films have been grown, in which thickness-dependent, strain-modulated, doping-mediated, and/or morphology-dependent room-temperature ferromagnetism (RTFM) have been explored. Inspired by the discovery of intrinsic low-temperature FM in two-dimensional (2D) systems prepared using mechanical exfoliation, the search for more convenient methods to prepare 2D ferromagnetic materials with high-temperature FM has seen explosive growth, but with little success. Fortunately, the very recent synthesis of 2D NiO by PAD has shed light on this challenge. Based on these abovementioned developments, the difficulties of PAD when preparing a-few-nanometer single-crystalline materials and the opportunities in PAD for novel materials such as chiral magnetic soliton material Cr_1/3NbS₂ are discussed. Full article

Two-dimensional ferromagnetic (FM) half-metals are highly desirable for the development of multifunctional spintronic nano-devices due to their 100% spin polarization and possible interesting single-spin electronic states. Herein, using first-principles calculations based on density functional theory (DFT) with the Perdew–Burke–Ernzerhof (PBE) functional, we demonstrate that the MnNCl monolayer is a promising FM half-metal for spintronics. Specifically, we systematically investigated its mechanical, magnetic, and electronic properties. The results reveal that the MnNCl monolayer has superb mechanic, dynamic, and thermal (ab initio molecular dynamics (AIMD) simulation at 900 K) stability. More importantly, its intrinsic FM ground state has a large magnetic moment (6.16 μ_B), a large magnet anisotropy energy (184.5 μeV), an ultra-high Curie temperature (952 K), and a wide direct band gap (3.10 eV) in the spin-down channel. Furthermore, by applying biaxial strain, the MnNCl monolayer can still maintain its half-metallic properties and shows an enhancement of magnetic properties. These findings establish a promising new two-dimensional (2D) magnetic half-metal material, which should expand the library of 2D magnetic materials. Full article

The appearance of intrinsic ferromagnetism in 2D materials opens the possibility of investigating the interplay between magnetism and topology. The magnetic anisotropy energy (MAE) describing the easy axis for magnetization in a particular direction is an important yardstick for nanoscale applications. Here, the first-principles approach is used to investigate the electronic band structures, the strain dependence of MAE in pristine VSi₂Z₄ (Z = P, As) and its Janus phase VSiGeP₂As₂ and the evolution of the topology as a function of the Coulomb interaction. In the Janus phase the compound presents a breaking of the mirror symmetry, which is equivalent to having an electric field, and the system can be piezoelectric. It is revealed that all three monolayers exhibit ferromagnetic ground state ordering, which is robust even under biaxial strains. A large value of coupling J is obtained, and this, together with the magnetocrystalline anisotropy, will produce a large critical temperature. We found an out-of-plane (in-plane) magnetization for VSi₂P₄ (VSi₂As₄), and an in-plane magnetization for VSiGeP₂As₂. Furthermore, we observed a correlation-driven topological transition in the Janus VSiGeP₂As₂. Our analysis of these emerging pristine and Janus-phased magnetic semiconductors opens prospects for studying the interplay between magnetism and topology in two-dimensional materials. Full article

Two-dimensional (2D) materials have potential applications in nanoscale sensors and spintronic devices. Herein, motivated by experimental synthesis of a CrI${}_3$ monolayer possessing intrinsic magnetism and a Janus MoSSe monolayer with piezoelectricity, we propose a 2D Janus Cr${}_2$I${}_3$F${}_3$ monolayer as a multifunctional material exhibiting both piezoelectricity and ferromagnetism. Using density functional theory calculations, we systematically investigated the structural stability and the electronic, magnetic, and piezoelectric properties of the Janus Cr${}_2$I${}_3$F${}_3$ monolayer. We predicted that a vertical polarization of up to −0.155 × 10${}^{-10}$ C/m is induced in the Cr${}_2$I${}_3$F${}_3$ monolayer due to the breaking of symmetry. The origination mechanism of polarization was demonstrated in terms of a local dipole moment calculated by maximally localized Wannier functions. Meanwhile, it was found that a remarkable piezoelectric response can be produced under a uniaxial strain in the basal plane. The calculated piezoelectric coefficients of the Cr${}_2$I${}_3$F${}_3$ monolayer compare favorably with those of the frequently used bulk piezoelectric materials such as $\alpha$–quartz and wurtzite AlN. Particularly, the e${}_{31}$ and d${}_{31}$ values of the Cr${}_2$I${}_3$F${}_3$ monolayer are nearly 10 times as large as that of Mo-based transition metal dichalcogenides. We also found that the magnitude of e${}_{31}$ mainly arises from the ionic contribution, while the electronic contribution can be nearly neglected. The considerable piezoelectric response combined with the intrinsic magnetism make the Janus Cr${}_2$I${}_3$F${}_3$ monolayer a potential candidate for novel multifunctional devices integrating both piezoelectric and spintronic applications. Full article

Two-dimensional (2D) van der Waals (vdW) magnetic materials are considered to be ideal candidates for the fabrication of spintronic devices because of their low dimensionality, allowing the quantization of electronic states and more degrees of freedom for device modulation. With the discovery of few-layer Cr₂Ge₂Te₆ and monolayer CrI₃ ferromagnets, the magnetism of 2D vdW materials is becoming a research focus in the fields of material science and physics. In theory, taking the Heisenberg model with finite-range exchange interactions as an example, low dimensionality and ferromagnetism are in competition. In other words, it is difficult for 2D materials to maintain their magnetism. However, the introduction of anisotropy in 2D magnetic materials enables the realization of long-range ferromagnetic order in atomically layered materials, which may offer new effective means for the design of 2D ferromagnets with high Curie temperature. Herein, current advances in the field of 2D vdW magnetic crystals, as well as intrinsic and induced ferromagnetism or antiferromagnetism, physical properties, device fabrication, and potential applications, are briefly summarized and discussed. Full article

Magnetic two-dimensional (2D) van der Waals materials have attracted tremendous attention because of their high potential in spintronics. In particular, the quantum anomalous Hall (QAH) effect in magnetic 2D layers shows a very promising prospect for hosting Majorana zero modes at the topologically protected edge states in proximity to superconductors. However, the QAH effect has not yet been experimentally realized in monolayer systems to date. In this work, we study the electronic structures and topological properties of the 2D ferromagnetic transition-metal dichalcogenides (TMD) monolayer $1T-\mathrm{V}{\mathrm{Se}}_2$ by first-principles calculations with the Heyd–Scuseria–Ernzerhof (HSE) functional. We find that the spin-orbit coupling (SOC) opens a continuous band gap at the magnetic Weyl-like crossing point hosting the quantum anomalous Hall effect with Chern number $C=2$. Moreover, we demonstrate the topologically protected edge states and intrinsic (spin) Hall conductivity in this magnetic 2D TMD system. Our results indicate that $1T-\mathrm{V}{\mathrm{Se}}_2$ monolayer serves as a stoichiometric quantum anomalous Hall material. Full article