Magnetic Moment Research Articles

Vacancies Engineering in Molybdenum Boride MBene Nanosheets to Activate Room-Temperature Ferromagnetism.

The rapid development of low energy dissipation spintronic devices has stimulated the search for air-stable 2D nanomaterials possessing room-temperature ferromagnetism. Here the experimental realization of 2D Mo4/3B2 nanosheets is reported with intrinsic room-temperature ferromagnetic characteristics by vacancy engineering. These nanosheets are synthesized by etching the bulk MAB phase (Mo2/3Y1/3)2AlB2 into Mo4/3B2 nanosheets in ZnCl2 molten salt. The Mo4/3B2 nanosheets show robust intrinsic ferromagnetic properties, with a saturation magnetic moment of 0.044emug-1 at 300K, while vacancy-free MoB MBene exhibits paramagnetism. It is elucidated that the Mo-vacancy defect generates large density of states near the Fermi surface and spontaneously spin-split bands through first-principles calculations, which contributes to the non-zero magnetic moment in Mo4/3B2 nanosheets. This work lays the groundwork for activating the magnetic properties of MBene nanosheets by vacancy engineering, offering the possibilities for development of practical spintronic devices.

Memcapacitors and Memristor Characteristics of ISGE-SOT and SHE-SOT Gain-Driven MoS2:Er Ferromagnets.

The enhancement of the spin-orbit torque (SOT) effect through the integration of intrinsic inverse spin galvanic effect spin-orbit torque and spin Hall effect spin-orbit torque is fundamentally dependent on the structural and material properties of the ferromagnets. Consequently, the synthesis of ferromagnets with superior structural integrity and material characteristics is of paramount importance. In this study, a gas-liquid chemical reaction, in conjunction with ultrasonic crushing, was employed to synthesize few-layer MoS2:Er nanosheets. X-ray diffraction, X-ray photoelectron spectroscopy, and energy-dispersive spectroscopy analyses confirm the successful substitution of Mo4+ by Er3+ through doping within the MoS2 lattice. Vibrating sample magnetometry and MT measurements indicate that MoS2:Er exhibits room-temperature ferromagnetism (RTFM), with the underlying mechanism elucidated through first-principles calculations. Furthermore, the unique electron density of states at the Fermi level suggests the presence of ferromagnetism in MoS2:Er. A wedge-shaped Pt/MoS2:Er/Au structure was fabricated and subsequently evaluated for current-induced SOT switching, as well as for its memcapacitor and memristor characteristics. The precession of a magnetic moment in three-dimensional space was successfully simulated by solving the Landau-Lifshitz-Gilbert-Slonczewski equation using the Mumax.

Effect of epoxidation level on rheological properties of epoxidized natural rubber-based magnetorheological elastomer

Epoxidized natural rubbers (ENR)are potential to be an alternative of natural rubber as matrix of magnetorheological elastomers (MREs). These ENR-based MREs offer various advantages such as excellent mechanical properties and damping characteristics that are well-suited for applications in vibration control and noise reduction devices. However, there is a paucity information in regard to the effect of different epoxidation levels on rheological properties of MRE. Therefore, the main aim of this study is to explore the influence of epoxidation level on rheological properties of MRE using commercialized ENR corresponding to ENR 25 and ENR 50. ENR-based MREs were created by blending with carbonyl iron particles (CIPs) and other additives, followed by curing at 150 °C for 30 min. The study involved producing ten MRE samples with various weight percentages of CIP (0,10,30,50 and 70 wt%). The storage modulus of ENR 50 exhibited a significant increment from 0.73 MPa to 1.04 MPa as compared to ENR 25 which caused the storage modulus to increase from 0.77 to 0.88 MPa. This showed that ENR 50-based MRE are stiffer in comparison to ENR 25-based MRE. Initial loss modulus value for ENR 50 (0.098 MPa) was lower than that of ENR 25 (0.112 MPa), consequently less energy is dissipated to surrounding for ENR 50-based MRE compare ENR 25-based MRE. The loss factor that represents damping properties showed that ENR 50 reached higher values (0.120 MPa) compared to ENR 25 (0.106 MPa). The increasing of CIPs content from 0 to 70 wt% contributed to increasing of magnetorheological effect for both ENR-based MRE where ENR 25 produced slightly higher with increment of 1.88 % to 22.6 % than ENR 50-based MRE with increment of 2.47 % to 18.18 % due to rise of magnetic forces generated from interaction of magnetic moments in magnetic domains of each CIPs. The results and analysis indicate that different levels of epoxidation in ENR have a marginal impact on the rheological properties of ENR-based MREs.

Orbits of particles with magnetic dipole moment around magnetized Schwarzschild black holes: Applications to the S2 star orbit

This study provides a comprehensive analytical investigation of the bound and unbound motion of magnetized particles orbiting a Schwarzschild black hole immersed in an external asymptotically uniform magnetic field, which includes all conceivable types of bounded and unbounded orbits. In particular, for planetary orbits, we perform a comparative analysis of our findings with the observed position of the S2 star carrying magnetic dipole moment around Sagittarius A*. We found maximum and minimum values for the parameter of magnetic interaction between the magnetic dipole of the star and the external magnetic field, as well as the energy and angular momentum of the S2 star. As a result, we obtain estimations of the magnetic dipole of the star in the order of 106 G·cm3. Additionally, we explore deflecting trajectories akin to gravitational Rutherford scattering. In obtaining the solutions for the orbital equations, we articulate the elliptic integrals and Jacobi elliptic functions, and illustrative figures and simulations augment our study. Published by the American Physical Society 2024

Axion and dark fermion electromagnetic form factors in superfluid He4

Condensed matter materials have shown great potential in searching for light dark matter (DM) via detecting the phonon or magnon signals induced by the scattering of DM off the materials. In this paper, we study the possibility of detecting electromagnetic form factors of fermionic DM and axionlike particles (ALPs) using superfluid He4. The phonon induced by a sub-GeV fermionic DM scattering off the superfluid can be described using the effective field theory with the interaction between DM and the bulk He4. Signals arising from the electromagnetic form factors of light DM in the presence of an external electric field are calculated. Projected constraints on the charge radius, anapole moment, and magnetic moment of the DM are derived with 1 kg·yr exposure. The phonon signal induced by the scattering of ALPs off the superfluid is also calculated, which can put competitive and the first direct detection bounds on ALP-photon-dark photon couplings in the projected experiments. Published by the American Physical Society 2024

Comprehensive theoretical study of the effects of facet, oxygen vacancies, and surface strain on iron and cobalt impurities in different surfaces of anatase TiO2.

We report the results of systematic ab initio modelling of various configurations of iron and cobalt impurities embedded in the (110), (101), and (100) surfaces of anatase TiO2, with and without oxygen vacancies. The simulation results demonstrate that incorporation into interstitial voids at the surface level is significantly more favourable than other configurations for both iron and cobalt. The calculations also demonstrate the crucial effect of the facet as well as the lesser effects of other factors, such as vacancies and strain on the energetics of defect incorporation, magnetic moment, bandgap, and catalytic performance. It is further shown that there is no tendency towards the segregation or clustering of impurities on the surface. The calculated free energies of the hydrogen evolution reaction in acidic media predict that iron impurities embedded in the (101) surface of anatase TiO2 can be a competitive catalyst for this reaction.

Spontaneous Magnetization Induced by Antiferromagnetic Toroidal Ordering

The magnetic toroidal dipole moment, which is induced by a vortex-type spin texture, manifests itself in parity-breaking physical phenomena, such as a linear magnetoelectric effect and nonreciprocal transport. We elucidate that a staggered alignment of the magnetic toroidal dipole can give rise to spontaneous magnetization even under antiferromagnetic structures. We demonstrate the emergence of uniform magnetization by considering the collinear antiferromagnetic structure with the staggered magnetic toroidal dipole moment on a bilayer zigzag chain. Based on the model calculations, we show that the interplay between the collinear antiferromagnetic mean field and relativistic spin-orbit coupling plays an important role in inducing the magnetization.

Unity gives strength: combining Bertaut's and Belov's concepts and the formalism of aperiodic crystals to solve magnetic structures of unprecedented complexity.

We draw attention to the exceptional work of Geers et al. [(2024). IUCrJ, 11, https://doi.org/10.1107/S2052252524008583] on the analysis of magnetic phases, in which challenging magnetic structures are determined by a combination of modern computational methods and a connection between nuclear modulation and the ordering of magnetic moments is shown.

Lepton-flavor-violating ALP signals with TeV-scale muon beams

We explore the feasibility of using TeV-energy muons to probe lepton-flavor-violating (LFV) processes mediated by an axionlike particle (ALP) a with mass O(10 GeV). We focus on μτ LFV interactions and assume that the ALP is coupled to a dark state χ, which can be either less or more massive than a. Such a setup is demonstrated to be consistent with χ being a candidate for dark matter, in the experimentally relevant regime of parameters. We consider the currently operating NA64-μ experiment and proposed FASERν2 detector as both the target and the detector for the process μA→τAa, where A is the target nucleus. We also show that a possible future active muon fixed-target experiment operating at a 3 TeV muon collider or in its preparatory phase can provide an impressive reach for the LFV process considered, with future FASERν2 data providing a pilot study towards that goal. The implications of the muon anomalous magnetic moment (g−2)μ measurements for the underlying model, in case of a positive signal, are also examined, and a sample UV completion is outlined. Published by the American Physical Society 2024

Orthogonal spin–orbit torque-induced deterministic switching in NiO

The electrical switching of antiferromagnet (AFM) is very important for the development of ultrafast magnetic random-access memory (MRAM). This task becomes more difficult in antiferromagnetic oxide NiO, which has complex anisotropy. We show that by utilizing two spin–orbit torques (SOTs) from orthogonal currents, one can deterministically switch the magnetic moments of NiO in two electrical distinguishable states that can be read out using the spin Hall magnetoresistance. This deterministic switching relies on the symmetry of SOT on different sublattices, where the sign reversal of magnetic moments leads to constructive torques in the beginning and balanced torques in the end. In addition, we show that the easy-plane anisotropy plays a key role in the switching, which has been ignored in some previous works. The uniform magnetic dynamics in this work provides a clear physical picture in understanding the SOT switching of NiO. Furthermore, the electrical writing and reading function in our device advances the development of AFM-MRAM.

Faraday rotation method improves the upper limit of the electron electric-dipole-moment sensitivity.

The electron electric-dipole-moment (eEDM) is a powerful tool for exploring new particles. The candidates for eEDM search are heavy atoms and their molecules, which are well known for the obvious relativistic effect. Lead atom is considered to be the most ideal relativistic atom [Park et al., Nat. Commun. 11(1), 815 (2020)]. PbH molecule is an important representative of the Pb compound and is considered a cold candidate molecule due to the high diagonal Franck-Condon factors. We systematically investigated the (eEDM) searches of PbH using a two-component approach. The parity- and time-reversal symmetry violation constants of ground and excited states, including internal effective electric field Eeff, electron-nucleon scalar-pseudoscalar interaction constant WP,T, and nuclear magnetic quadrupole moment, were obtained and compared to other molecules. In addition, we designed two experimental methods to measure the sensitivity of the eEDM, indicating that the Faraday rotation method could greatly improve its sensitivity.

Néel Vector Auto-Oscillations and Reorientations Induced by Spin-Polarized Electric Currents in Antiferromagnetic Mn2Au Nanolayer

The electrical excitation of spin dynamics in antiferromagnets is important for the development of high-speed spintronic devices with a low power consumption. Here, we present a theoretical study of the spin dynamics generated in the Ni/Cu/Mn2Au/Cu/Ni nanostructure by a perpendicular-to-plane electric current. Our investigation includes atomistic simulations of spin reorientations in a few monolayer antiferromagnetic Mn2Au film and numerical calculations of nonequilibrium spin accumulation in the nanostructure comprising ferromagnetic Ni polarizers with antiparallel magnetizations. This combined approach enables us to quantify the dynamics of Mn magnetic moments induced by the spin-transfer torque created by the spin-polarized charge flow. The calculations show that the direct electric current with the density exceeding some temperature-dependent threshold value gives rise to steady-state auto-oscillations of the Néel vector in the [Formula: see text]-oriented Mn2Au nanolayer. As the precession of Mn magnetic moments occurs around an out-of-plane direction strongly deflected from their initial in-plane orientations, the emergence of auto-oscillations should be regarded as the realization of a dynamic spin reorientation transition in the antiferromagnetic crystal. Remarkably, the precession frequency rises with increasing current density J and exceeds 1[Formula: see text]THz at [Formula: see text][Formula: see text]A[Formula: see text]m[Formula: see text], which makes the described antiferromagnetic spin transfer nano-oscillator attractive for device applications. Furthermore, our simulations demonstrate that a picosecond current pulse injected into the Ni/Cu/Mn2Au/Cu/Ni nanostructure can induce a precessional switching of the Néel vector. Depending on the current density and pulse duration, the Néel vector rotates by either 90° or 180° and attains stable orientation along the corresponding [Formula: see text] easy axis in the plane of the Mn2Au nanolayer. This feature shows that the Ni/Cu/Mn2Au/Cu/Ni nanostructure could be used as a nonvolatile memory cell with the electrical writing and readout.

Superparamagnetic Relaxation in Ensembles of Ultrasmall Ferrihydrite Nanoparticles

The paper examines the impact of interparticle interactions on the superparamagnetic relaxation of ultrasmall nanoparticle ensembles, using Fe2O3∙nH2O iron oxyhydroxide (ferrihydrite) nanoparticles as an example. Two samples were analyzed: ferrihydrite of biogenic origin (with an average particle size of d ≈ 2.7 nm) with a natural organic shell, and a sample (with d ≈ 3.5 nm) that underwent low-temperature annealing, during which the organic shell was partially removed. The DC and AC magnetic susceptibilities (χ′(T), χ′′(T)) in a small magnetic field in the superparamagnetic (SPM) blocking region of the nanoparticles were measured. The results show that an increase in interparticle interactions leads to an increase in the SPM blocking temperature from 28 to 52 K according to DC magnetization data. It is shown that below the SPM blocking temperature, magnetic interactions of nanoparticles lead to the formation of a collective state similar to spin glass in bulk materials. The scaling approach reveals that the dynamics of correlated magnetic moments on the particle surface slow down with increasing interparticle interactions. Simulation of χ′′(T) dependence has shown that the dissipation of magnetic energy occurs in two stages. The first stage is directly related to the blocking of the magnetic moment of nanoparticles, while the second stage reflects the spin-glass behavior of surface spins and strongly depends on the strength of interparticle interactions.

Effect of (Zr, Ta) doping on electronic and magnetic properties of zinc-blende MgTe DMS compound: AB-initio approach

This study utilizes density functional theory (DFT) and the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) to explore the effects of zirconium (Zr) and tantalum (Ta) doping on the electronic and magnetic properties of zinc-blende MgTe. The electronic configurations of Mg1-x(TM)xTe (TM = Zr, Ta) were analyzed, revealing that Zr induces magnetic behavior with near-total spin polarization, while Ta doping leads to metallic behavior with partial polarization. The variations in magnetic moments are largely determined by impurity concentrations, with ferromagnetic stability in both systems driven by a double exchange interaction mechanism. Additionally, Curie temperatures exceeding room temperature were observed for specific doping concentrations. These results suggest significant potential for MgTe-based materials in spintronic applications. The findings further illustrate that Zr-doped alloys display half-metallicity, making them especially promising for future spintronics device development. KEY WORDS: DMS, KKR-CPA, Polarization, Metallic behavior, Curie temperature, Double exchange, Spintronic Bull. Chem. Soc. Ethiop. 2025, 39(1), 153-164. DOI: https://dx.doi.org/10.4314/bcse.v39i1.13

Proximity-Induced Superconductivity in a 2D Kondo Lattice of an f-Electron-Based Surface Alloy.

Realizing hybrids of low-dimensional Kondo lattices and superconducting substrates leads to fascinating platforms for studying the exciting physics of strongly correlated electron systems with induced superconducting pairing. Here, we report a scanning tunneling microscopy and spectroscopy study of a new type of two-dimensional (2D) La-Ce alloy grown epitaxially on a superconducting Re(0001) substrate. We observe the characteristic spectroscopic signature of a hybridization gap evidencing the coherent spin screening in the 2D Kondo lattice realized by the ultrathin La-Ce alloy film on normal conducting Re(0001). Upon lowering the temperature below the critical temperature of rhenium, a superconducting gap is induced exhibiting an energy asymmetry of the coherence peaks that arises from the interaction of residual unscreened magnetic moments with the superconducting substrate. A positive correlation between the Kondo hybridization gap and the asymmetry of the coherence peaks is found.

Spin and orbital magnetic moments of UTe2 induced by the external magnetic field

Correlated band theory implemented as a combination of the relativistic density functional theory with exact diagonalization [DFT+U(ED)] of the Anderson impurity term with Coulomb repulsion U in the 5f shell is applied to the magnetic field polarized state of \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {UTe}_2$$\\end{document}. We demonstrate that the DFT+U(ED) approach provides a good agreement with very recent x-ray absorbtion near edge structure (XANES) and x-ray magnetic circular dichroism (XMCD) experiments. The branching ratio for the \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$M_{4,5}$$\\end{document} edge transitions of uranium, and the valence spin-orbit interaction per hole were evaluated in a perfect agreement with the XANES. The orbital-to-spin moment ratio is calculated with DFT+U(ED) within the range of values extracted from XMCD data. The uranium atom 5f-shell ground state with 33 \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\%$$\\end{document} of \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$f^2$$\\end{document} and 58 \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\%$$\\end{document} of \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$f^3$$\\end{document} configurations is determined. Both XMCD and DFT+U(ED) point out the intermediate valence of uranium as well as itinerant-localized dichotomy in \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {UTe}_2$$\\end{document}.

Cosmic Ray Diffusion in Magnetic Fields Amplified by Nonlinear Turbulent Dynamo

The diffusion of cosmic rays (CRs) in turbulent magnetic fields is fundamental to understanding various astrophysical processes. We explore the CR diffusion in the magnetic fluctuations amplified by the nonlinear turbulent dynamo in the absence of a strong mean magnetic field. Using test particle simulations, we identify three distinct CR diffusion regimes: mirroring, wandering, and magnetic moment scattering (MMS). With highly inhomogeneous distribution of the dynamo-amplified magnetic fields, we find that the diffusion of CRs is also spatially inhomogeneous. Our results reveal that lower-energy CRs preferentially undergo the mirror and wandering diffusion in the strong-field regions, and the MMS diffusion in the weak-field regions. The former two diffusion mechanisms play a more important role toward lower CR energies, resulting in a relatively weak energy dependence of the overall CR mean free path (MFP). In contrast, higher-energy CRs predominantly undergo the MMS diffusion, for which the incomplete particle gyration, i.e., the limit case of mirroring, in strong fields has a more significant effect than the scattering by small-scale field tangling/reversal. Compared with lower-energy CRs, they are more poorly confined in space and their MFPs have a stronger energy dependence. We stress the fundamental role of magnetic field inhomogeneity of nonlinear turbulent dynamo in causing the different diffusion behavior of CRs compared to that in sub-Alfvénic magnetohydrodynamic turbulence.

On-shell renormalization with vector-like leptons, one-loop muon–Higgs coupling and muon g − 2

Models with vector-like leptons can strongly modify the lepton mass generation mechanism and lead to correlated effects in lepton–Higgs couplings and lepton dipole moments. Here we begin an analysis of higher-order corrections in such models by setting up a renormalization scheme with full on-shell conditions on the lepton self energies, masses and fields. A minimal set of fundamental parameters is renormalized in the MS¯\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ \\overline{\ extrm{MS}} $$\\end{document} scheme. We provide a detailed discussion of lepton mixing and redundancies at higher orders, show how the relevant counterterms can be obtained from the renormalization conditions, and determine the β-functions corresponding to the scheme. As a first application we calculate the one-loop effective muon–Higgs coupling and analyse its correlation with the muon anomalous magnetic moment ∆aμVLL\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ \\Delta {a}_{\\mu}^{\ extrm{VLL}} $$\\end{document}. In the interesting case of large masses and opposite-sign coupling, the lowest-order correlation implies a fixed value of ∆aμVLL\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ \\Delta {a}_{\\mu}^{\ extrm{VLL}} $$\\end{document} around 22.5 × 10−10, while the higher-order corrections significantly reduce this value to the interval (10 . 18) × 10−10.

Unveiling half-metallic, thermoelectric and optoelectronic behavior of the new Heusler alloy RbCrZ (Z = Si, Ge): a DFT perspective

Abstract Utilizing the density functional theory (DFT) method, this study aims to predict with precision the structural, elastic, electronic, magnetic, thermoelectric, thermal, and optical properties of two recently discovered half-Heusler alloys, namely RbCrSi and RbCrGe. The exchange and correlation potential are accounted for using the generalized gradient approximation of Perdew–Burke–Ernzerhof (GGA-PBE) and the Tran–Blaha-modified Becke–Johnson exchange potential (TB-mBJ). Through structural analysis, it is observed that both RbCrSi and RbCrGe alloys exhibit energetic stability in a type-3 structure with a ferromagnetic (FM) state. Both alloys exhibit half-metallic properties and integer magnetic moments of 3 μB, following the Slater-Pauli rule. Additionally, elastic calculations confirm their mechanical stability and anisotropic ductile behavior. The quasi-harmonic Debye model (QHDM) is employed for calculating thermodynamic properties, while the BoltzTraP code, based on semi-classical Boltzmann theory (SCBT), is utilized for evaluating thermoelectric properties. Findings reveal that RbCrZ alloys (with Z = Si, Ge) exhibit high figure of merit (ZT) values nearing unity at highest temperature. Consequently, the newfound half-Heusler alloys RbCrSi and RbCrGe hold significant promise for applications in thermoelectricity and spintronic devices. This comprehensive analysis underscores the potential of these alloys in the realm of renewable energy applications.

First−Principle Study on Electronic Structure and Magnetism in Doped Boron Phosphide Nanosheet

Based on the first‐principles calculation of density‐functional theory, the electronic structure and magnetic properties of hexagonal boron phosphide (h‐BP) with doping and applying strain to the transition‐metal (TM = Cr, Mn, Fe, Co, and Ni) elements are investigated. After the TM elements are introduced, the magnetism is induced. The magnetic moments are 3.00, 3.87, 1.00, 1.99, and 1.00 μB, respectively, which mainly contributed by the 3d orbitals of TM elements. In the case of magnetic coupling, Cr–Cr are mainly coupled antiferromagnetically at different distances. In addition, Fe–Fe performs a ferromagnetic state, and Co–Co represents an antiferromagnetic state with the distance of 3.213 Å. After applied strain, Co doped of the system shows the characteristics of semimetals under the application of 4% strain. It can be added that for h‐BP systems, doping Co and Mn increases its conductivity, which is beneficial to the study of spintronic materials.