Search Results (49)

The first-principles calculation method was used to study doping elements with atomic numbers in the range of 23–30 (V–Zn) to form a single-atomic-spin nanochannel in a CoTiSb matrix. In a Ni-Sb single-atomic chain with high spin polarization and hole electrical conductivity, V-Sb, Mn-Sb, Fe-Sb, and Co-Sb single-atom chains have 100% spin polarization, indicating that a supercell containing the central atom chain has typical half-metal characteristics, and in the CoTiSb matrix, is centered on very small single-spin nanochannel forms. Using doping elements with atomic numbers between 23 and 27 (V-Co), the total magnetic moment of the supercell is constantly increasing, but the total magnetic moment of the Ni-doped supercell (Ni-Ti supercell) reduces, and a Cr-Ti supercell has an equal total magnetic moment. Doping elements Cu and Zn have atomic numbers higher than the range. Although the material of the nanochannel retains ferromagnetic properties, the spin polarization rate is reduced, and the material no longer has half-metallic properties. Full article

Diluted magnetic semiconductors (DMSs) represent a significant area of interest for research and applications in spintronics. Recently, DMSs derived from BaZn₂As₂ have garnered significant interest due to the record Curie temperature (T_C) of 260 K. However, the influence of doping on their magnetic evolution and transport characteristics has not been thoroughly investigated. This study aims to fill this gap through susceptibility and magnetization measurements, electric transport analysis, and muon spin relaxation and rotation (µSR) measurements on (Ba_1−xRb_x)(Zn_1−yMn_y)₂As₂ (0.1 ≤ x, y ≤ 0.25, BRZMA). Key findings include the following: (1) BRZMA showed a maximum T_C of 138 K, much lower than (Ba,K)(Zn,Mn)₂As, because of a reduced carrier concentration. (2) A substantial electromagnetic coupling is evidenced by a negative magnetoresistance of up to 34% observed in optimally doped BRZMA. (3) A 100% static magnetic ordered volume fraction is achieved in the low-temperature region, indicating a homogeneous magnet. (4) Furthermore, a systematic and innovative methodology has been initially proposed, characterized by clear step-by-step instructions aimed at enhancing T_C, grounded in robust experimental findings. The findings presented provide valuable insights into the spin–charge interplay concerning magnetic and electronic transport properties. Furthermore, they offer clear direction for the investigation of higher T_C DMSs. Full article

Novel diluted magnetic semiconductors derived from BaZn₂As₂ are of considerable importance owing to their elevated Curie temperature of 260 K, the diversity of magnetic states they exhibit, and their prospective applications in multilayer heterojunctions. However, the transition from the intrinsic semiconductor BaZn₂As₂ (BZA) to its doped compounds has not been extensively explored, especially in relation to the significant intermediate compound Ba(Zn,Mn)₂As₂ (BZMA). This study aims to address this gap by performing susceptibility and magnetization measurements, in addition to electronic transport analyses, on these compounds in their single crystal form. Key findings include the following: (1) carriers can significantly modulate the magnetism, transitioning from a non-magnetic BZA to a weak magnetic BZMA, and subsequently to a hard ferromagnet (Ba,K)(Zn,Mn)₂As₂ with potassium (K) doping to BZMA; (2) two distinct sets of metal-insulator transitions were identified, which can be elucidated by the involvement of carriers and the emergence of various magnetic states, respectively; and (3) BZMA exhibits colossal negative magnetoresistance, and by lanthanum (La) doping, a potential n-type (Ba,La)(Zn,Mn)₂As₂ single crystal was synthesized, demonstrating promising prospects for p-n junction applications. This study enhances our understanding of the magnetic interactions and evolutions among these compounds, particularly in the low-doping regime, thereby providing a comprehensive physical framework that complements previous findings related to the high-doping region. Full article

The investigation of novel diluted magnetic semiconductors (DMSs) provides a promising platform for studying magnetism and transport characteristics, with significant implications for spintronics. DMSs based on BaZn₂As₂ are particularly noteworthy due to their high Curie temperature (T_C) of 260 K, diverse magnetic states, and potential for multilayer heterojunctions. This study investigates the magnetic evolution of carrier doping and spin dynamics in the asperomagnet (Ba,Na)(Zn,Mn)₂As₂, utilizing a combination of magnetization measurements, ac susceptibility, and muon spin rotation (µSR). Key findings include the following: (1) lower transition temperatures and coercive forces in (Ba,Na)(Zn,Mn)₂As₂ compared to the ferromagnet (Ba,K)(Zn,Mn)₂As₂; (2) a dynamic fluctuation peak around the transition temperature observed in both the ac susceptibility and longitudinal field (LF) µSR; and (3) the coexistence of static and dynamic states at low temperatures, exhibiting spin-glass-like characteristics. This study, to the best of our knowledge, may represent the first investigation of asperomagnetic order utilizing µSR techniques. It enhances the understanding of magnetic interactions in BaZn₂As₂-based systems and provides valuable insights into the exploration of high T_C DMSs. Full article

In the last two decades, significant efforts have been particularly invested in two-dimensional (2D) hexagonal boron carbon nitride h-B_xC_yN_z because of its unique physical and chemical characteristics. The presence of the carbon atoms lowers the large gap of its cousin structure, boron nitride (BN), making it more suitable for various applications. Here, we use density functional theory to study the structural, electronic, and magnetic properties of Pt-doped BC₆N (Pt-BC₆N, as well as its adsorption potential of small molecular gases (NO, NO₂, CO₂, NH₃). We consider all distinct locations of the Pt atom in the supercell (B, N, and two C sites). Different adsorption locations are also considered for the pristine and Pt-doped systems. The formation energies of all Pt-doped structures are close to those of the pristine system, reflecting their stability. The pristine BC₆N is semiconducting, so doping with Pt at the B and N sites gives a diluted magnetic semiconductor while doping at the C1 and C2 sites results in a smaller gap semiconductor. We find that all doped structures exhibit direct band gaps. The studied molecules are very weakly physisorbed on the pristine structure. Pt doping leads to much stronger interactions, where NO, NO₂, and NH₃ chemisorb on the doped systems, and CO₂ physiorb, illustrating the doped systems’ potential for gas purification applications. We also find that the adsorption changes the electronic and magnetic properties of the doped systems, inviting their consideration for spintronics and gas sensing. Full article

Diluted magnetic semiconductors (DMSs) with tunable ferromagnetism are among the most promising materials for fabricating spintronic devices. Some DMS systems have sizeable magnetoresistances that can further extend their applications. Here, we report a new DMS Rb(Zn_1−x−yLi_yMn_x)₄As₃ with a quasi-two-dimensional structure showing sizeable anisotropies in its ferromagnetism and transverse magnetoresistance (MR). With proper charge and spin doping, single crystals of the DMS display Curie temperatures up to 24 K. Analysis of the critical behavior via Arrott plots confirms the long-range ferromagnetic ordering in the Rb(Zn_1−x−yLi_yMn_x)₄As₃ single crystals. We observed remarkable intrinsic MR effects in the single crystals (i.e., a positive MR of 85% at 0.4 T and a colossal negative MR of −93% at 7 T). Full article

In this study, we grew pristine and Ni-doped vertically aligned zinc oxide nanowires (NWs) on a glass substrate. Both the doped and pristine NWs displayed dominant 002 peaks, confirming their vertical alignment. The Ni-doped NWs exhibited a leftward shift compared to the pristine NWs. TEM measurements confirmed the high crystallinity of individual NWs, with a d-spacing of ~0.267 nm along the c-axis. Ni-doped NWs had a higher density, indicating increased nucleation sites due to nickel doping. Doped NW films on glass showed enhanced absorbance in the visible region, suggesting the creation of sub-gap defect levels from nickel doping. Magnetization vs. magnetic field measurements revealed a small hysteresis loop, indicative of soft ferromagnetic behavior. Current transient plots demonstrated an increase in current with an applied magnetic field. Two-terminal devices exhibited a photo response that intensified with magnetic field application. This increase was attributed to parallel grain alignment, resulting in enhanced carrier concentration and photo response. In the dark, transport properties displayed negative magnetoresistance behavior. This magneto-transport effect and enhanced photo response (under an LED at ~395 nm) were attributed to giant magnetoresistance (GMR) in the aligned NWs. The observed behavior arose from reduced carrier scattering, improved transport properties, and parallel spin alignment in the magnetic field. Full article

Using first-principle spin-density functional computations, the structural, magnetic, and electronic properties of the Cr- and V-doped diluted magnetic semiconductors Ca_1-xCr_xS and Ca_1-xV_xSe at x = 0.25 in the B1 (NaCl) phase are explored. Elastic constants and structural properties (lattice constants, bulk modulus, and its pressure derivative) were calculated and used to establish structure stability. Plots of the TDOS and PDOS of transition metal atom-doped CaZ at x = 0.25 and pure CaZ (Z = S, Se) are presented. Cr-doped CaZ (Z = S, Se) shows half-metallic character at x = 0.25 and is stable in ferromagnetic state, while that of V-doped CaZ compounds shows semiconductor behavior and is stable in antiferromagnetic state. Dispersion of phonons was also evaluated to check the global minima of energy in pure CaZ compounds. Curie temperature, magnetic moments, and exchange constants were also calculated for all doped systems. The current results are in excellent agreement with earlier research. Our current findings imply that CaZ doped with Cr/V (Z = S, Se) would make a promising option for spintronic applications. Full article

The Impact of Co and Gd on the structural, magnetic and dielectric properties of ZnO nanotubes synthesized by co-precipitation is reported. The results demonstrate that incorporating Co and Gd into ZnO diminished crystallinity while retaining the optimum orientation. The outcomes of transmission electron microscopy and scanning electron microscopy examined that the Co and Gd dopants had no effect on the morphology of the produced nanotubes. It was also discovered that as the frequency and concentration of Gd co-dopant decreased, the dielectric constant and loss values increased. When doping was present, the dielectric constant and ac electrical conductivity response was found to be inversely related. Ultimately, at 300K, Co and Gd co-doped ZnO nanotubes exhibited ferromagnetic properties. When Gd doping was increased to 3%, the ferromagnetic response increased. Since then, increasing the Gd co-doping, the ferromagnetic response decreased. For the same sample (Zn_0.96−xCo_0.04Gd_0.03O nanotubes), the electrical conductivity exhibited also superior to pure and low Gd doped ZnO. Its high ferromagnetism is usually caused by magnetic impurities replaced on the ZnO side. Therefore, considering the behaviour of these nanotubes, it can be sued spin-based electronics. Full article

Antibiotic water contamination is a growing environmental problem in the present day. As a result, water treatment is required for its reduction and elimination. Due to their important role in resolving this issue, photocatalysts have drawn a great deal of interest over the past few decades. When non-biodegradable organic matter is present in polluted water, the photo catalytic process, which is both environmentally friendly and an improved oxidation method, can be an effective means of remediation. In this regard, we report the successful synthesis of pure phased rare earth doped ZnO nanoparticles for tetracycline degradation. The prepared catalysts were systematically characterized for structural, optical, and magnetic properties. The optical band gap was tailored by rare earth doping, with redshift for Sm and Dy doped nanoparticles and blueshift for Nd doped ZnO nanoparticles. The analysis of photoluminescence spectra revealed information about the defect chemistry of all synthesised nanoparticles. Magnetic studies revealed that all synthesized diluted magnetic semiconductors exhibit room temperature ferromagnetism and can be employed for spintronic applications. Moreover, Dy doped ZnO nanoparticles were found to exhibit a maximum degradation efficiency of 74.19% for tetracycline (TCN) removal. The synthesized catalysts were also employed for the degradation of Malachite green (MG), and Crystal violet (CV) dyes. The maximum degradation efficiency achieved was 97.18% for MG and 98% for CV for Dy doped ZnO nanoparticles. The degradation mechanism involved has been discussed in view of the reactive species determined from scavenging experiments. Full article

The first-principle calculation method based on the density functional theory (DFT) in combination with the LDA+U algorithm is employed to study the electronic structure and magnetic properties of Co/Mn co-doped ZnO nanowires. Special attention is paid to the optimal geometric replacement position, the coupling mechanism, and the magnetic origin of Co/Mn atoms. According to the simulation data, Co/Mn co-doped ZnO nanowires of all configurations exhibit ferromagnetism, and substitution of Co/Mn atoms for Zn in the (0001) inner layer brings nanowires to the ground state. In the magnetic coupling state, the obvious spin splitting is detected near the Fermi level, and strong hybridization effects are observed between the Co/Mn 3d and O 2p states. Moreover, the ferromagnetic ordering forming Co²⁺-O²⁻-Mn²⁺ magnetic path is established. In addition, the calculation results suggest that the magnetic moment mainly takes its origin from the Co/Mn 3d orbital electrons, and the size of the magnetic moment is related to the electronic configurations of Co/Mn atoms. Therefore, a realistic description of the electronic structure of Co/Mn co-doped ZnO nanowires, obtained via LDA+U method, shows their potential for diluted magnetic semiconductor materials. Full article

Wide bandgap semiconductors doped with transition metals are attracting significant attention in the fabrication of dilute magnetic semiconductor devices (DMSs). The working principle of DMSs is based on the manipulation of the electron spin, which is useful for magnetic memory devices and spintronic applications. Using the density functional theory (DFT) calculation with the GGA+U approximation, we investigated the effect of native defects on the magnetic and electronic structure of Mn+2-doped 3C-SiC structure. Three structures were selected with variations in the distance between two impurities of (Mn+2)-doped 3C-SiC, which are 4.364 Å, 5.345Å, and 6.171 Å, respectively. We found ferromagnetic coupling for single and double Mn+2 dopant atoms in the 3C-SiC structure with magnetic moments of 3${\mu }_B$ and 6 ${\mu }_B$ respectively. This is due to the double exchange because of p-d orbital hybridization. The p-orbitals of C atoms play important roles in the stability of the ferromagnetic configuration. The impact of Si-vacancy (nearby, far) and C-vacancy (near) of (Mn+2)-doped 3C-SiC plays an important role in the stabilization of AFM due to super-exchange coupling, while the C-vacancy (far) model is stable in FM. All electronic structures of Mn+2-doped 3C-SiC reveal a half-metallic behavior, except for the Si-vacancy and C-vacancy of (nearby), which shows a semiconductor with bandgap of 0.317 and 0.828 eV, respectively. The Curie temperature of (Mn+2)-doped 3C-SiC are all above room temperature. The study shows that native vacancies play a role in tuning the structure from (FM) to (AFM), and this finding is consistent with experiments reported in the literature. Full article

The impact of bismuth incorporation into the epitaxial layer of a (Ga,Mn)As dilute ferromagnetic semiconductor on its magnetic and electromagnetic properties is studied in very thin layers of quaternary (Ga,Mn)(Bi,As) compound grown on a GaAs substrate under a compressive misfit strain. An addition of a small atomic fraction of 1% Bi atoms, substituting As atoms in the layer, predominantly enhances the spin–orbit coupling strength in its valence band. The presence of bismuth results in a small decrease in the ferromagnetic Curie temperature and a distinct increase in the coercive fields. On the other hand, the Bi incorporation into the layer strongly enhances the magnitude of negative magnetoresistance without affecting the hole concentration in the layer. The negative magnetoresistance is interpreted in terms of the suppression of weak localization in a magnetic field. Application of the weak-localization theory for two-dimensional ferromagnets by Dugaev et al. to the experimental magnetoresistance results indicates that the decrease in spin–orbit scattering length accounts for the enhanced magnetoresistance in (Ga,Mn)(Bi,As). Full article

The discovery of high-$T_c$ superconductivity in cuprates in 1986 moved strongly correlated systems from exotic worlds interesting only for pure theorists to the focus of solid-state research. In recent decades, the majority of hot topics in condensed matter physics (high-$T_c$ superconductivity, colossal magnetoresistance, multiferroicity, ferromagnetism in diluted magnetic semiconductors, etc.) have been related to strongly correlated transition metal compounds. The highly successful electronic structure calculations based on density functional theory lose their predictive power when applied to such compounds. It is necessary to go beyond the mean field approximation and use the many-body theory. The methods and models that were developed for the description of strongly correlated systems are reviewed together with the examples of response function calculations that are needed for the interpretation of experimental information (inelastic neutron scattering, optical conductivity, resonant inelastic X-ray scattering, electron energy loss spectroscopy, angle-resolved photoemission, electron spin resonance, and magnetic and magnetoelectric properties). The peculiarities of (quasi-) 0-, 1-, 2-, and 3- dimensional systems are discussed. Full article

The energy gap $E_g$ between the valence and conduction bands is a key characteristic of semiconductors. Semiconductors, such as TiO${}_2$, SnO${}_2$, and CeO${}_2$ have a relatively wide band gap $E_g$ that only allows the material to absorb UV light. Using the s-d microscopic model and the Green’s function method, we have shown two possibilities to reduce the band-gap energy $E_g$—reducing the NP size and/or ion doping with transition metals (Co, Fe, Mn, and Cu) or rare earth (Sm, Tb, and Er) ions. Different strains appear that lead to changes in the exchange-interaction constants, and thus to a decrease in $E_g$. Moreover, the importance of the s-d interaction, which causes room-temperature ferromagnetism and band-gap energy tuning in dilute magnetic semiconductors, is shown. We tried to clarify some discrepancies in the experimental data. Full article