Search Results (65)

Birefringence, arising from the low-symmetry structure in orthorhombic LaFeO₃, limits the observation and utilization of magneto-optical effects. In this study, the pure-phase perovskite-typed La_1−xCe_xFe_1−xTi_xO₃/SiO₂ thin films were successfully fabricated via radio-frequency magnetron sputtering, where the co-doping of Ce³⁺ and Ti⁴⁺ ions effectively induced a structure transition from orthorhombic to a highly symmetric cubic phase, eliminating birefringence effect and thus reducing optical transmission loss. At the same time, the doped Ce³⁺ ions also effectively enhanced the magnetic and magneto-optical effects of the system due to their strong spin coupling effect and superexchange interaction with Fe³⁺ ions. The results show that the cubic-phase La_0.5Ce_0.5Fe_0.5Ti_0.5O₃/SiO₂ thin film exhibits excellent magnetic and magneto-optical performance. Their saturation magnetization reaches 180 emu/cm³ with an in-plane easy magnetic axis. And their magnetic circular dichroic ellipticity |ψ_F| reaches 3054 degrees/cm. Full article

Interfacial coupling between CoFe₂O₄ (CFO) nanoparticles and oxidatively functionalized multi-walled carbon nanotubes (MWCNTs) enables controlled modulation of structural, optical, and spin dynamic properties in CFO–MWCNT nanocomposites. The solvothermal synthesis promotes nucleation of CFO on –COOH/–OH functional groups, ensuring uniform anchoring along the nanotube surface. X-ray diffraction confirms a cubic spinel phase with lattice expansion from 8.385 Å to 8.410 Å and crystallite growth from 18 nm to 25 nm, reflecting strain transfer and partial nanoparticle coalescence at the carbon interface. The observed bandgap narrowing from 2.72 eV to 2.50 eV, confirmed via Tauc plot analysis, is attributed to localized defect states induced by charge delocalization and orbital hybridization at the interface of the CFO–MWCNT boundary. DC magnetometry reveals a reduction in saturation magnetization from 46 emu/g to 35 emu/g due to diamagnetic dilution and interfacial spin canting, while coercivity decreases from 852 Oe to 841 Oe, indicating modified pinning and domain-wall dynamics associated with exchange-coupled interfaces. Ferromagnetic resonance measurements show a resonance field shift from 3495 G to 3500 G and an increase in the Landé g-factor from 1.97 to 2.00, signifying altered spin–orbit coupling and enhanced local magnetic perturbations. The spin–lattice relaxation time increases from 1.41 ns to 1.59 ns, demonstrating suppressed phonon-mediated relaxation and improved spin coherence across the hybrid network. Spin density rises from 3.72 × 10²² to 4.58 × 10²² spins/g, confirming an increase in unpaired electrons generated by orbital asymmetry at the interface. The anisotropy field and effective magnetocrystalline anisotropy constant exhibit pronounced modulation, evidencing strengthened exchange stiffness and altered Co²⁺/Fe³⁺ superexchange pathways. These results establish CFO-MWCNT nanocomposites as tuneable platforms for spintronic logic elements, high-frequency microwave attenuation, and magneto-optical device architectures. Full article

A spiral spin arrangement with a magnetic unit cell 28 times the size of the nuclear one has been reported for Fe spins below T_N = 80 K in bilayered van der Waals gapped FeOCl. In this work, we employ neutron magnetic diffraction and ac magnetic susceptibility to reveal a much smaller magnetic unit cell only 4 times the size of the nuclear one for Fe spins below T_N = 119 K, upon intercalation of 27% non-magnetic Na ions into the van der Waals gaps of FeOCl. X-ray emission spectra and X-ray absorption edge spectra reveal a charge transfer from the intercalated Na ions to the Fe sites, which partially reduces the Fe³⁺ into Fe²⁺ ions. The reduction results in a significantly increased Fe-O-Fe bond angle, which strongly enhances the antiferromagnetic superexchange (AFMSE) coupling relative to the competing ferromagnetic direct exchange (FMDE) coupling between neighboring Fe ions, thereby driving to a higher degree of magnetic symmetry and a substantially higher Neel temperature for the Fe spins in Na_0.27FeOCl. Full article

We experimentally investigate the structural, magnetic, transport, and electronic properties of two d⁵ iridate double perovskite materials La₂BIrO₆ (B = Mg, Zn). Notably, despite similar crystallographic structure, the two compounds show distinctly different magnetic behaviors. The M = Mg compound shows an antiferromagnetic-like linear field-dependent isothermal magnetization below its transition temperature, whereas the M = Zn counterpart displays a clear hysteresis loop followed by a noticeable coercive field, indicative of ferromagnetic components arising from a non-collinear Ir spin arrangement. The local structure studies authenticate perceptible M/Ir antisite disorder in both systems, which complicates the magnetic exchange interaction scenario by introducing Ir-O-Ir superexchange pathways in addition to the nominal Ir-O-B-O-Ir super-superexchange interactions expected for an ideally ordered structure. While spin–orbit coupling (SOC) plays a crucial role in establishing insulating behavior for both these compounds, the rotational and tilting distortions of the IrO₆ (and MO₆) octahedral units further lift the ideal cubic symmetry. Finally, by measuring the Ir-L₃ edge resonant inelastic X-ray scattering (RIXS) spectra for both the compounds, giving evidence of spin–orbit-derived low-energy inter-J-state (intra t_2g) transitions (below ~1 eV), the charge transfer (O 2p → Ir 5d), and the crystal field (Ir t_2g → e_g) excitations, we put forward a qualitative argument for the interplay among effective SOC, non-cubic crystal field, and intersite hopping in these two compounds. Full article

Investigating valley-related physics in rare intrinsic ferromagnetic materials with high-temperature stability and viable synthesis methods is of vital importance for advancing fundamental physics and information technology. Through first-principles calculations, we forecast that monolayer TiAlTe₃ has superb structural stability, a ferromagnetic coupling mechanism deriving from direct-exchange and superexchange interactions, and a high magnetic transition temperature. We observed spontaneous valley polarization of 103 meV in the bottom conduction band when monolayer TiAlTe₃ is magnetized toward an out-of-plane orientation. Additionally, because of its powerful valley-contrasting Berry curvature, the anomalous valley Hall effect emerges under an in-plane electric field. The cooperation of ferromagnetic coupling, a high magnetic transition temperature, and spontaneous valley polarization makes monolayer TiAlTe₃ a promising room-temperature ferrovalley material for use in nanoscale spintronics and valleytronics. Full article

Organometallic rare-earth complexes have attracted considerable attention in recent years due to their unique structures and exceptional magnetic properties. In this study, we report the synthesis and magnetic characteristics of a family of monopentamethylcyclopentadienyl-coordinated trinuclear rare-earth hepta-chloride clusters [(Li(THF)(Et₂O))(Cp^*RE)₃(μ-Cl)₄(μ₃-Cl)₂(μ₄-Cl)] (RE₃: RE =Y, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu; Cp* = pentamethylcyclopentadienide). These clusters were synthesized by reacting LiCp* with RECl₃ in a 1:1 molar ratio within a mixed solvent system (THF: Et₂O = 1:9), resulting in high solubility in common organic solvents such as DCM, THF, and Et₂O. Magnetic studies conducted on these paramagnetic clusters reveal the coexistence of ferromagnetic and antiferromagnetic superexchange interactions in Gd₃. Additionally, Dy₃ exhibits both ferromagnetic and antiferromagnetic intramolecular dipolar interactions. Notably, slow magnetic relaxation was observed in Dy₃ below 23 K under a zero DC applied field with an energy barrier of 125(6) cm⁻¹. Full article

Ceramic samples of CuCr_1−xY_xO₂ (x = 0–0.02) were synthesized via the high temperature solid-state reaction method, and the influence of Y³⁺ doping on their microstructure and antiferromagnetic phase transitions was systematically investigated. Y³⁺ doping increased the unit cell volume from 130.928 ų for x = 0 to 131.147 ų for x = 0.0200, and the average grain size decreased from 3.38 μm for x = 0 to 4.27 μm for x = 0.0200. The Cr and Y elements maintained +3 valence, while the Cu element had +1 valence. All samples showed obvious paramagnetism when the temperature was higher than 140 K. When the temperature continued to decrease, the lattice expansion changed the bond length and bond angle of the Cr-O-Cr bond, resulting in a change in the superexchange interaction, and the magnetic susceptibility increased significantly, gradually showing antiferromagnetism. The T_N of the undoped sample was about 46 K, the T_N of the doped sample with x = 0.0175 was about 21 K, and the T_N of other doped samples was about 30 K. This result indicates that Y³⁺ doping enhanced the antiferromagnetism of the sample but also weakened its antiferromagnetic stability. Full article

Basic principles of ferroelectric activity induced by the noncollinear alignment of spins are reviewed. There is a fundamental reason why the inversion symmetry can be broken by certain magnetic order. This situation occurs when the magnetic order simultaneously involves ferromagnetic ($\mathit{F}$) and antiferromagnetic ($\mathit{A}$) counterparts, transforming under the spatial inversion $\mathcal{I}$ and time reversal $\mathcal{T}$ as $\mathcal{I}\mathit{F}=\mathit{F}$ and $\mathcal{IT}\mathit{A}=\mathit{A}$, respectively. The incompatibility of these two conditions results in breaking the inversion symmetry, which manifests itself in the electric polarization $\overrightarrow{P}$. The noncollinear alignment of spins is one of examples of such coexistence of $\mathit{F}$ and $\mathit{A}$. This coexistence principle imposes a constraint on possible dependencies of $\overrightarrow{P}$ on the directions of spins, which can include only “antisymmetric coupling” in the bond, ${\overrightarrow{\mathcal{P}}}_{ij}·[{\mathit{e}}_i\times {\mathit{e}}_j]$, and “single-ion anisotropy”, ${\mathit{e}}_i·$ $\overrightarrow{\mathbb{\Pi }}$ ${\mathit{e}}_i$. Microscopically, ${\overrightarrow{\mathcal{P}}}_{ij}$ can be evaluated in the framework of superexchange theory. For the single Kramers doublet, this theory yields ${\overrightarrow{\mathcal{P}}}_{ij}\sim {\overrightarrow{\mathit{r}}}_{ij}^{\phantom{0}}$, where ${\overrightarrow{\mathit{r}}}_{ij}^{\phantom{0}}$ is the spin-dependent part of the position operator induced by the relativistic spin-orbit coupling. ${\overrightarrow{\mathit{r}}}_{ij}^{\phantom{0}}$ remains invariant under spatial inversion, providing the microscopic reason why noncollinear alignment of spins can induce $\overrightarrow{P}$ even in centrosymmetric crystals. The symmetry properties of ${\overrightarrow{\mathit{r}}}_{ij}^{\phantom{0}}$ can be rationalized from the viewpoint of symmetry of Kramers states. Particularly, the commonly used Katsura–Nagaosa–Balatsky (KNB) rule $\overrightarrow{P}\propto {\overrightarrow{ϵ}}_{ji}\times [{\mathit{e}}_i\times {\mathit{e}}_j]$ (${\overrightarrow{ϵ}}_{ji}$ being the direction of the bond $ij$) can be justified only for relatively high symmetry of the bonds. The single-ion anisotropy vanishes for the spin ${\displaystyle \frac{1}{2}}$ or if magnetic ions are located in inversion centers, thus severely restricting the applicability of this microscopic mechanism. The properties of multiferroic materials are reconsidered from the viewpoint of these principles. A particular attention is paid to complications caused by possible deviations from the KNB rule. Full article

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

On the basis of a microscopic model and employing Green’s function technique, the effects of temperature, size, and ion doping on the magnetization and phonon energy of the A_1g mode in double perovskites Ba₂FeReO₆ and Sr₂CrReO₆—both in bulk and nanoscale samples—are investigated for the first time. The Curie temperature T_C and magnetization M decrease as nanoparticle size is reduced. Doping with rare-earth ions such as Sm, Nd, or La at the Ba or Sr sites further reduces M. This behavior originates from the compressive strain induced by the smaller ionic radii of the dopant ions compared to the host ions. As a result, the antiferromagnetic superexchange interaction between Fe or Cr and Re ions is enhanced, along with an increase in the magnetic moment of the Re ion. The dependence of the band gap energy of Sr₂CrReO₆ on temperature, size, and doping is also studied. Near the magnetic-phase-transition temperature T_C, anomalies in phonon energy and damping indicate strong spin–phonon coupling. The theoretical calculations show good qualitative agreement with experimental data. Full article

We investigated the geometry and electronic structure of the oxygen-bridged dicopper complex [Cu^II₂(NH₃)₄O₂]²⁺ and discussed how different DFT methods and basis sets, including dispersion corrections and dielectric media, affect the predicted structure and spin state. Our results showed that pure functionals yielded the closed-shell singlet character, whereas hybrid functionals presented a partial diradical character that coincided with increased spin contamination. Incorporating a polarizable continuum model further enhanced the diradical character and more closely reproduced the measured Cu–Cu distance with a bent Cu₂O₂ core. Analysis of the molecular orbitals and computed absorption spectra revealed how orbitals produce the key transition from ligand-to-metal charge transfer. These findings underscore how environmental effects influence the description of Cu₂O₂ chemistry. Full article

Three new coordination polymers, {[M(nbpdc)(DMF)(H₂O)₂]·H₂O}_∞ (M = Co and Ni) and [Zn(nbpdc)(DMF)(H₂O)]_∞, were synthesized from 2-nitrobiphenyl-4,4′-dicarboxylate (nbpdc²⁻). The isomorphous Co(II) and Ni(II) compounds exhibited a two-dimensional coordination network in which the chains with single-water bridges and the chains with single-nbpdc²⁻ bridges intersected each other by sharing the metal ions. The coordination networks were connected with uncoordinated water molecules through hydrogen bonds. The rarely identified single-water-bridged coordination chain was reinforced by water-based intrachain hydrogen bonds. The single-water bridges mediated modest antiferromagnetic superexchange in both Co(II) and Ni(II) compounds and afforded a spin-canting structure for the Co(II) compound at low temperatures. Water molecules played a distinct structural role in the Zn(II) compound, which was a one-dimensional coordination polymer with single-nbpdc²⁻ bridges. Instead of bridging metal ions, each water molecule was coordinated to one metal ion and hydrogen-bonded to the coordination spheres of other two metal ions, resulting to an infinite ladderlike hydrogen-bonding motif. The ladders interlinked the nbpdc-bridged chains into a three-dimensional supramolecular architecture featuring the 5-conneted {4⁴.6⁴} net. Full article

First-row transition metal oxides have relatively modest magnetic properties compared to those of permanent magnets based on rare earth elements. However, there is a hope that this gap might be bridged via proper compositional and structural adjustments. Bi-magnetic nanostructures with homogeneous interfaces often exhibit a combination or synergy of properties of both phases, resulting in improved performance compared to their monophasic magnetic counterparts. To gain a deeper insight into these complex structures, a bi-magnetic nanostructured material composed of superparamagnetic nanoparticles comprising a zinc ferrite core and a nickel ferrite shell was synthesized using the seed-mediated growth approach. The resulting ZnFe₂O₄@NiFe₂O₄ core–shell nanoparticles were characterized using a series of experimental techniques and were compared to the ZnFe₂O₄ cores. Most importantly, the formation of the NiFe₂O₄ shell around the ZnFe₂O₄ core improved the net crystallinity of the material and altered the particle morphology by reducing the convexity of the surface. Simultaneously, the magnetic measurements demonstrated the coherence of the interface between the core and the shell. These effects combined led to improved spin coupling and stronger magnetism, as evidenced by higher saturation magnetization and the doubling of the blocking temperature for the ZnFe₂O₄@NiFe₂O₄ core–shell particles relative to the ZnFe₂O₄ cores. Full article

Double perovskite materials have emerged as key players in the realm of advanced materials due to their unique structural and functional properties. This research mainly focuses on the synthesis and comprehensive characterization of Ba₂CoWO₆ double perovskite nanopowders utilizing a high-temperature conventional solid-state reaction technique. The successful formation of Ba₂CoWO₆ powders was confirmed through detailed analysis employing advanced characterization techniques. Rietveld refinement of X-ray diffraction (XRD) and Raman data established that Ba₂CoWO₆ crystallizes in a cubic crystal structure with the space group Fm-3m, indicative of a highly ordered perovskite lattice. The typical crystallite size, approximately 65 nm, highlights the nanocrystalline nature of the material. Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM) discovered a distinctive morphology characterized by spherical shaped particles, suggesting a complex particle formation process influenced by synthesis conditions. To probe the electronic structure, X-ray Photoelectron Spectroscopy (XPS) identified cobalt and tungsten valence states, critical for understanding dielectric properties associated with localized charge carriers. The semiconducting character of the synthesized Ba₂CoWO₆ nanocrystalline material was confirmed through UV-Visible analysis, which revealed an energy bandgap value of 3.3 eV, which aligns well with the theoretical predictions, indicating the accuracy and reliability of the experimental results. The photoluminescence spectrum exhibited two distinct emissions in the blue-green region. These emissions were attributed to the transitions ³P₀→³H₄, ³P₀→³H₅, and ³P₀→³H₆, primarily resulting from the contributions of Ba²⁺ ions. The dielectric characteristics of the compound were analyzed across a different range of frequencies, spanning from 1 kHz to 1 MHz. Magnetic characterization using Vibrating Sample Magnetometry (VSM) revealed antiferromagnetic behavior of Ba₂CoWO₆ ceramics at room temperature, attributed to super-exchange interactions between Co³⁺ and W⁵⁺ ions mediated by oxygen ions in the perovskite lattice. Additionally, first-principles calculations based on the Generalized Gradient Approximation (GGA+U) with a modified Becke–Johnson (mBJ) potential were employed to gain a deeper understanding of the structural and electronic properties of the materials. This approach involved systematically varying the Hubbard U parameter to optimize the description of electron correlation effects. These results deliver an extensive understanding of the structural, optical, morphological, electronic, and magnetic properties of Ba₂CoWO₆ ceramics, underscoring their potential for electronic and magnetic device applications. Full article

Two-dimensional (2D) ferromagnetic semiconductors (FM SCs) provide an ideal platform for the development of quantum information technology in nanoscale devices. However, many developed 2D FM materials present a very low Curie temperature (T_C), greatly limiting their application in spintronic devices. In this work, we predict two stable 2D transition metal chalcogenides, V₃Se₃X₂ (X = S, Te) monolayers, by using first-principles calculations. Our results show that the V₃Se₃Te₂ monolayer is a robust bipolar magnetic SC with a moderate bandgap of 0.53 eV, while V₃Se₃S₂ is a direct band-gap FM SC with a bandgap of 0.59 eV. Interestingly, the ferromagnetisms of both monolayers are robust due to the V–S/Se/Te–V superexchange interaction, and T_Cs are about 406 K and 301 K, respectively. Applying biaxial strains, the FM SC to antiferromagnetic (AFM) SC transition is revealed at 5% and 3% of biaxial tensile strain. In addition, their high mechanical, dynamical, and thermal stabilities are further verified by phonon dispersion calculations and ab initio molecular dynamics (AIMD) calculations. Their outstanding attributes render the V₃Se₃Y₂ (Y = S, Te) monolayers promising candidates as 2D FM SCs for a wide range of applications. Full article