Ferromagnetic Semiconductor Research Articles (Page 4)

The search for new materials for practical implementation in spintronic devices has attracted enormous attention. In this work, the electronic and magnetic properties of half-Heusler NaMnAs alloy in its bulk conformation and as (001) surfaces are investigated using the full-potential linearized augmented plane wave (FP-LAPW) method. The bulk NaMnAs compound is a ferromagnetic spin-gapless semiconductor (SGS) material, whose total magnetic moment of 5.00μ B per unit cell satisfies the Slater-Pauling rule and is produced mainly by Mn atoms. The SGS nature is retained with external tensile strain, meanwhile the transition to a magnetic semiconductor (MS) nature is achieved by compressive strain up to -6%. In addition, stronger compression applied to the lattice causes material metallization. Further, (001) surfaces with MnNa- and As-termination with different thickness (5ML, 7ML, 9ML, and 11ML) are considered. It is found that both spin states of MnNa-terminated surfaces exhibit a metallic character, while half-metallicity is observed for the As-terminated surfaces. The calculated projected density of states indicates a key role of As-p and Mn-d orbitals in regulating the electronic nature of both bulk and surface counterparts. Interestingly, except for 11ML-As-terminated surfaces, the out-of-plane easy spin magnetization is demonstrated through calculating the magnetic anisotropy energy. Our results may introduce the new half-Heusler NaMnAs compound for spintronic applications, providing insights into the change of electronic and magnetic properties from the bulk state to (001) surfaces.

MXenes are members of the rapidly expanding family of two-dimensional materials known for their electronic and magnetic properties and hold significant promise for advancements in electronics and spintronics technologies. In this study, we identified a stable MnCrNO2 MXene characterized by a band gap of 2.68 eV, a magnetic moment of 6μB, and a magnetic anisotropy energy of 78.6 μeV per transition metal atom. These properties were computed using density functional theory with an on-site Coulomb potential and HSE06 hybrid functional calculations. Manipulating the band gap and magnetic properties offers considerable advantages for tailoring MXenes for specific applications. Our investigation extended to exploring the property behaviors under biaxial strain, as well as the adsorption of Group-I and Group-II ions onto the newly discovered MXene. Our findings underscore a highly linear relationship between strain and band gap, supported by an impressive R2 score of 0.997 for the best-fit straight line. Moreover, we demonstrated the linear tunability of the material's magnetic anisotropy energy under biaxial strain, achieving an R2 score of 0.982. Adsorption of 2.2% Group-I and Group-II ions onto the MnCrNO2 MXene reveals the potential for a semiconductor-to-half-metal phase transition with K, Rb, Be, Mg, and Ca ions. These results provide pathways for leveraging MXenes for the development of next-generation electronic and spintronic devices.

The results of theoretical study and numerical simulations in the MaxLLG software package of ferromagnetic metamaterials with metallic (non-magnetic) inclusions, as well as bigyrotropic media with properties of a ferromagnetic semiconductor, are presented. The possibility of obtaining double-negative media from such materials, where a backward electromagnetic wave exists at microwave frequencies, is demonstrated.

This research aims to develop Y2CuMnO6 double perovskite, using a citrate auto combustion method, to be used as a photocatalyst for the degradation of organic dyes and antibiotics. XRD and Raman characterization revealed the synthesis of pure-phase Y2CuMnO6 double perovskite. The X-ray photoelectron spectroscopy results show the presence of +4 and +2 oxidation states of Mn and Cu ions. Our electronic structure analysis, Mott-Schottky, and UV-vis-NIR analysis suggest strong UV and visible region absorption. Our density functional theory analysis reveals that Y2CuMnO6 exhibits characteristics of a ferromagnetic semiconductor with low effective mass. The Jahn-Teller active Cu2+ ion induces local distortions, contributing to the stabilization of the low-symmetry monoclinic structure (P21/n). The ferromagnetic superexchange mechanism is attributed to the overlap between the empty eg band of Mn4+ and the partially filled eg band orbital of Cu2+. The Y2CuMnO6 double perovskite resulted in degradation efficiencies of 99%, 96%, and 95% of rhodamine B, methylene orange dyes, and tetracycline antibiotics, respectively. This study reveals that the Y2CuMnO6 double perovskite achieved enhanced photocatalytic activity compared to commercial P25 TiO2. It demonstrated the remarkable photocatalytic properties of the Y2CuMnO6 catalyst indicating its significant potential for diverse environmental applications.

The ability of light to manipulate fundamental interactions in a medium is central to research in optomagnetism and applications in electronics. A prospective approach is to create composite quasiparticles, magnetic polarons, highly susceptible to external stimuli. To control magnetic and transport properties by weak magnetic and electric fields, it is important to find materials that support photoinduced magnetic polarons with colossal net magnetic moments. Here, we demonstrate that magnetic polarons with a record-high magnetic moment, reaching and exceeding a hundred thousand Bohr magnetons, can be optically generated in EuO, an archetypal ferromagnetic semiconductor. The phenomenon is established employing the photoinduced Faraday effect studied in EuO films by a two-color pump-probe technique. The giant magnetic polarons are generated just above the Curie temperature once EuO is exposed to photons of an energy exceeding the bandgap. Picosecond temporal dynamics of magnetic polarons follows relaxation processes in the spin-split 5d conduction band occupied by the photoexcited electron. The study is expected to provide a platform for implementation of an efficient optical control over the magnetic state in solids.

In this work, using first-principles calculations, we predict a promising class of two-dimensional ferromagnetic semiconductors, namely Janus PrXY (X ≠ Y = Cl, Br, I) monolayers. Through first-principles calculations, we found that PrXY monolayers have excellent dynamic and thermal stability, and their band structures, influenced by magnetic exchange and spin-orbital coupling, exhibit significant valley polarization. Between K and -K valleys, the Berry curvature values are opposite to each other, resulting in the anomalous valley Hall effect. In addition, applying moderate biaxial strain can further enhance their magnetic anisotropy energy and valley polarization. These findings do not only emphasize the importance of strain in regulating spin and valley characteristics, but also provide new possibilities for the application of ferromagnetic semiconducting materials in spintronic and valleytronic devices.

GdN is a ferromagnetic semiconductor which has seen increasing interest in the preceding decades particularly in the areas of spin- and superconducting- based electronics. Here we report a detailed computational and optical spectroscopy study of the electronic structure of stoichiometric and nitrogen vacancy doped GdN. Based on our calculations we provide the effective mass tensor for undoped GdN, and some indicative values for electron doped GdN. Such a property is valuable as it can affect device design, and can be measured experimentally to validate the existing computation results.

Abstract Two-dimensional (2D) ferromagnetic (FM) semiconductors with high Curie temperature (T c ) and large perpendicular magnetic anisotropy (PMA) are promising for developing next-generation magnetic storage devices. In this work, we investigated the structural, electronic, and magnetic properties of MoF3 and Janus Mo2F3 X 3 (X = Cl, Br, I) monolayers by first-principles methods. These materials are 2D FM semiconductors with large PMA and half-semiconducting character as both VBM and CBM belonging to the spin-up channel. Biaxial strain can modulate band gap, reverse easy magnetization axis, and induce magnetic phase transitions in MoF3 monolayer and its Janus structures. Compared to MoF3 monolayers, Janus Mo2F3 X 3 monolayers can preserve the structural ability and the FM ground state over a wider range of strain. The magnetic anisotropy energies (MAEs) of these 2D materials can be enhanced to greater than 1 meV/Mo by tensile strains. Intrinsic T c of MoF3 monolayer and its Janus structures are less than 110 K and are insensitive to strain. However, hole doping with a feasible concentration can achieve a room-temperature half-metallicity in these 2D materials. The required hole concentration is lower in Janus Mo2F3 X 3 monolayers than MoF3 monolayer. Our results indicate that MoF3 and Janus Mo2F3 X 3 (X = Cl, Br, I) monolayers are promising candidates for 2D spintronic applications and will stimulate experimental and theoretical broad studies.

Oxygen in solids usually exists in an O2- ionic state. As a result, it loses its magnetic nature of a single atom, wherein two unpaired electrons exist in its outer 2p orbitals. Here, it is shown that an unconventional stable ionic state of O- is realized in a new semiconductor material Sr2AlO4, leading to an intrinsic p-orbital ferromagnetism stable until ≈900K. Experimental and theoretical investigations have clarified that one-fourth of the oxygen atoms in Sr2AlO4 are insufficiently bonded in the crystal structure, resulting in a unique O--state and p-orbital ferromagnetism. To date, the O- state is reported to exist only in non-equilibrium conditions, and p-orbital magnetism is only suggested in impurity bands with small ferromagnetic moments. The present work provides a new route for creating ferromagnetism in semiconductors and exploring new p-orbital physics and chemistry. In addition, the material shows elastic-mechanoluminescence that may enable unprecedented mechano-photonic-spintronics.

Bragg resonances in left-handed bigyrotropic media based on periodic ferromagnetic semiconductor

Abstract Herein, the full potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory (DFT) is used to examine the physical features of Ln2MgSe4 (Ln = Er, Pm) spinel selenides. Exchange correlation energies are estimated through modified Becke–Johnson potential (mBJ). Band structures (BS) and density of states (DOS) data proved that Er2MgSe4 is ferromagnetic (FM) semiconductor while Pm2MgSe4 is half metallic (HFM) ferromagnetic in nature. The Er-f contributed majorly to the vicinity of Fermi level for both compounds. The structural stability is determined through calculating the tolerance factor and geometry optimization, while thermodynamical stability has been realized by computing the formation enthalpy. Furthermore, various optical parameters have been computed which describe the considered materials’ response to incident light. Our study explored the physical properties of two Ln based spinels which are found to have potential for being used in various optoelectronic and spintronic devices.

Abstract Magnetic anisotropy (MA) is pivotal for stabilizing long-range magnetic order in two-dimensional (2D) systems against thermal fluctuations. Here, we conduct a comprehensive investigation of the electronic and magnetic properties of CrSCl monolayer using first-principles methods and Monte Carlo (MC) simulations. Our results reveal that CrSCl monolayer exhibit a direct band gap ferromagnetic semiconductor (FMS) with a high Curie temperature (TC, 143 K). Notably, we identify triaxial magnetic anisotropy in this monolayer, characterized by the easy magnetization axis along the y-axis, intermediate axis along the x-axis, and hard axis along the z-axis. This anisotropy arises from a combination of magnetocrystalline anisotropy and shape anisotropy, in which shape anisotropy dominating over weak magnetocrystalline anisotropy. Orbital projection analysis shows that the major contribution of magnetic anisotropy energy comes from the d orbital of Cr atom. These findings provide some insights into the strain response of MA and suggest that studies of other FM monolayers may uncover future contenders for strain-switchable and ultra-compact spintronics devices.

Exploring the physics coupled with layer degrees of freedom in materials has become a hot topic in quantum layertronics. We propose a robust second-order topological insulator monolayer RuOHX (X = F, Cl, and Br), a two-dimensional ferromagnetic semiconductor with large valley polarization, capable of undergoing topological phase transition induced by strain effect. In the bilayer RuOHX, we achieve layer-polarized anomalous Hall effect through interlayer sliding, originating from layer-stacking Berry curvature. Moreover, it can be controlled and reversed by the direction of ferroelectric polarization. Under appropriate biaxial strain, the bilayer RuOHX exhibits quantum layer spin Hall effect in which the helical edge states are manifested as spin-chirality-locking, due to the degeneracy of layer-polarized quantum anomalous Hall effect. Our work explores the potential application via layer-stacking topological properties for future quantum device applications.

Predictions of spin-valley properties in ferromagnetic Janus 2H-CeXY (X, Y = Cl, Br, I, X ≠ Y) monolayers: Merger of valleytronics with spintronics

Two-field measurements of spin-orbit-torque efficiency in crystalline (Ga,Mn)(As,P) ferromagnetic semiconductors

Direct epitaxial integration of the ferromagnetic oxide EuO with GaAs

Abstract In this manuscript, the synthesis process of the CaLaTiFeO6 material is shown. The crystallographic structure analysis reveals its monoclinic perovskite type nature (space group P21/n, #14), its morphological strongly granular characteristics, its optical response yields its semiconducting character with a 0.61 eV bandgap and its ferromagnetic property at temperatures T>350 K are reported. Likewise, calculations and analysis of the electronic properties are performed through Density Functional Theory, which showed correlation with the experimental results. The results allow classifying the CaLaTiFeO6 material as a ferromagnetic semiconductor at room temperature, making it a good candidate for the design of spintronic devices.

To realize room temperature ferromagnetic (FM) semiconductors is still a challenge in spintronics. Many antiferromagnetic (AFM) insulators and semiconductors with high Neel temperature TN are obtained in experiments, such as LaFeO3, BiFeO3, etc. High concentrations of magnetic impurities can be doped into these AFM materials, but AFM state with very tiny net magnetic moments was obtained in experiments because the magnetic impurities were equally doped into the spin up and down sublattices of the AFM materials. Here, we propose that the effective magnetic field provided by a FM substrate could guarantee the spin-dependent doping in AFM materials, where the doped magnetic impurities prefer one sublattice of spins, and the ferrimagnetic (FIM) materials are obtained. To demonstrate this proposal, we study the Mn-doped AFM insulator LaFeO3 with FM substrate of Fe metal by the density functional theory (DFT) calculations. It is shown that the doped magnetic Mn impurities prefer to occupy one sublattice of the AFM insulator and introduce large magnetic moments in La(Fe, Mn)O3. For the AFM insulator LaFeO3 with high TN = 740 K, several FIM semiconductors with high Curie temperature TC > 300 K and the band gap less than 2 eV are obtained by DFT calculations when 1/8 or 1/4 Fe atoms in LaFeO3 are replaced by the other 3d, 4d transition metal elements. The large magneto-optical Kerr effect (MOKE) is obtained in these LaFeO3-based FIM semiconductors. In addition, the FIM semiconductors with high TC are also obtained by spin-dependent doping in some other AFM materials with high TN, including BiFeO3, SrTcO3, CaTcO3, etc. Our theoretical results propose a way to obtain high TC FIM semiconductors by spin-dependent doping in high TN AFM insulators and semiconductors.

Emergence of defects-mediated diluted ferromagnetic semiconductor (ZnS: La3+) Quantum Dots: A versatile platform for optoelectronic and spintronic applications

Creating low dimensional ferromagnetic (FM) semiconductors or half metals with strong FM orders is promising to meet the requirement for next-generation spintronics. However, most of the demonstrated FM semiconductors or half metals suffer from low Curie temperatures (TCs). Here, by first-principles calculations, we predict that the two-dimensional (2D) M3XSe4 (M = V, Cr; X = S, Te) monolayers are a type of intrinsic 2D ferromagnets with thermodynamical stability. Our results show that V3XSe4 (X = S, Te) monolayers are FM semiconductors with indirect bandgaps of 0.60 and 0.50 eV, respectively. Particularly, both structures are revealed to have high TCs of 387 and 770 K and suppress the application limit of room-temperature. In addition, Cr3XSe4 (X = S, Te) monolayers are FM half metals with 100% spin-polarized currents. Moreover, the electronic and magnetic properties of these M3XSe4 monolayers can be modulated by biaxial strains. V3TeSe4 monolayer can be tuned to be room temperature direct bandgap semiconductor under biaxial 1% tensile strain, and TC of V3SSe4 can be largely enhanced under compressive strains. Our results suggest that M3XSe4 monolayers are promising candidates for spintronic devices.