X-ray photoelectron study of Sn1−xMnxTe semimagnetic semiconductors

X-ray photoelectron (XPS) studies of core-levels in Sn_1−xMn_xTe (x < 0.1) semimagnetic semiconductors have been performed. The spectra were acquired under UHV conditions from the clean (as-cleaved or in-situ scraped) crystal surface. The single-phase NaCl structure of the alloys studied was verified by X-ray diffraction (XRD). The structure of Sn 3d and Te 3d core-levels in SnMnTe was found fully consistent with that of SnTe. Remarkable qualitative similarity of the Mn 2p spectrum of Sn_1−xMn_xTe (x = 0.09) with the case of zinc-blende MnTe [R.J. Iwanowski, M.H. Heinonen, E. Janik, Chem. Phys. Lett. 387 (2004) 110] has been shown: (1) the same binding energies (BEs) of the main contributions to the Mn 2p_3/2 line, related to Mn²⁺ state of the bulk MnTe bond; (2) occurrence of low BE component in the Mn 2p spectrum, indicative of clean-surface species containing reduced-valence Mn ions (i.e. Mn^q+, where 0 < q < 2); (3) strong satellites of the 2p_3/2 (Mn²⁺ related) parent lines. In SnMnTe, the highest intensity ratio of the satellite to main peak (ever reported for Mn 2p photoelectron spectrum) was revealed; this was interpreted in terms of the so-called charge-transfer model.     

Spin-polarized structural, electronic and magnetic properties of diluted magnetic semiconductors Cd1−xMnxTe in zinc blende phase

We have investigated the structural, electronic and magnetic properties of the diluted magnetic semiconductor (DMS) Cd_1−xMn_xTe (for x=0.75 and 1.0) in the zinc blende (B3) phase by employing the ab-initio method. Calculations were performed by using the full potential linearized augmented plane wave plus local orbitals (FP-L/APW+lo) method within the frame work of spin-polarized density functional theory (SP-DFT). The electronic exchange-correlation energy is described by generalized gradient approximation (GGA). We have calculated the lattice parameters, bulk modulii and the first pressure derivatives of the bulk modulii, spin-polarized band structures, and total and local densities of states. We estimated the spin-exchange splitting energies Δ_x(d) and Δ_x(pd) produced by the Mn3d states, and we found that the effective potential for the minority spin is more attractive than that of the majority spin. We determine the s-d exchange constant N₀α (conduction band) and p-d exchange constant N₀β (valence band) and these somewhat agree with a typical magneto-optical experiment. The value of calculated magnetic moment per Mn impurity atom is found to be 4.08 μ_B for Cd_0.25Mn_0.75Te and 4.09 μ_B for Cd_0.0Mn_1.0Te. Moreover, we found that p-d hybridization reduces the local magnetic moment of Mn from its free space charge value of 5.0 μ_B and produces small local magnetic moments on the nonmagnetic Cd and Te sites.     

Structure and magnetic properties of Sn1−xMnxO2

The microstructure and magnetic properties have been investigated systematically for Sn_1−xMn_xO₂ polycrystalline powder samples with x=0.02-0.08 synthesized by a solid-state reaction method. X-ray diffraction revealed that all samples are pure rutile-type tetragonal phase and the cell parameters a and c decrease monotonously with the increase in Mn content, which indicated that Mn ions substitute into the lattice of SnO₂. Magnetic measurements revealed that all samples exhibit room temperature ferromagnetism. Furthermore, magnetic investigations demonstrate that magnetic properties strongly depend on doping content, x. The average magnetic moment per Mn atom decreases with increase in the Mn content, because antiferromagnetic super-exchange interaction takes place within the neighbor Mn³⁺ ions through O²⁻ ions for the samples with higher Mn doping. Our results indicate that the ferromagnetic property is intrinsic to the SnO₂ system and is not a result of any secondary magnetic phase or cluster formation.     

Room temperature ferromagnetism behavior of Sn1−xMnxO2 powders

In this paper, we have investigated Mn-doped SnO₂ powder samples prepared by solid-state reaction method. X-ray diffraction showed a single phase polycrystalline rutile structure. The atomic content of Mn ranged from ∼0.8 to 5 at%. Room temperature M-H loops showed a ferromagnetic behavior for all samples. The ferromagnetic Sn_0.987Mn_0.013O₂ showed a coercivity H_c=545 Oe, which is among the highest reported for dilute magnetic semiconductors. The magnetic moment per Mn atom was estimated to be about 2.54 μ_B of the Sn_0.9921Mn_0.0079O₂ sample. The average magnetic moment per Mn atom sharply decreases with increasing Mn content, while the effective fraction of the Mn ions contributing to the magnetization decreases. The magnetic properties of the Sn_1−xMn_xO₂ are discussed based on the competition between the antiferromagnetic superexchange coupling and the F-center exchange coupling mechanism, in which both oxygen vacancies and magnetic ions are involved.     

Room-temperature ferromagnetism in Zn1−xMnxO

In view of recent controversies on above room-temperature ferromagnetism (RTFM) in transition-metal-doped ZnO, the present paper aims to shed some light on the origin of ferromagnetism by investigating annealing effects on structure and magnetism for polycrystalline Zn_1−xMn_xO powder samples prepared by solid-state reaction method and annealed in air at different temperatures. Magnetic measurements indicate that the samples are ferromagnetic at room temperature (RTFM). Room temperature ferromagnetism has been observed in the sample annealed at a low temperature of 500 °C with a saturated magnetization (M_s) of 0.159 emu/g and a coercive force of 89 Oe. A reduction in RTFM is clearly observed in the sample annealed at 600 °C. Furthermore, the saturation magnetic moment decreases with an increase in grain size, suggesting that ferromagnetism is due to defects and/or oxygen vacancy confined to the surface of the grains. The experimental results indicate that the ferromagnetism observed in Zn_1−xMn_xO samples is intrinsic rather than associated with secondary phases.     

Study of the local micro-structure and magnetic and transport properties of CrxGe1−x thin films

The local micro-structure as well as the magnetic and transport properties of Cr_xGe_1−x films prepared by means of magnetron sputtering have been investigated. Structural analysis shows that Cr atoms are situated in substitutional sites in the Ge lattice. Electrical transport properties indicate that Cr introduces a shallow acceptor level at 0.016 eV from the valence band implying Cr substituting for Ge. The low temperature ferromagnetism observed in the films is mediated mainly by ferromagnetic superexchange interactions between diluted Cr ions.     

First-principles study of structural, electronic and magnetic properties in Cd1−xFexS diluted magnetic semiconductors

In this paper, we report theoretical investigations of structural, electronic and magnetic properties of ordered dilute ferromagnetic semiconductors Cd_1−xFe_xS with x=0.25, 0.5 and 0.75 in zinc blende (B3) phase using all-electron full-potential linear muffin tin orbital (FP-LMTO) calculations within the density functional theory and the generalized gradient approximation. The analysis of band structures, density of states, total energy, exchange interactions and magnetic moments reveals that both the alloys may exhibit a half-metallic ferromagnetism character. The value of calculated magnetic moment per Fe impurity atom is found to be 4 μ_B. Moreover, we found that p-d hybridization reduces the local magnetic moment of Fe from its free space charge value of 4 μ_B and produces small local magnetic moments on Cd and S sites.     

Structural, optical and magnetic properties of (ZnO)1−x(MnO2)x thin films deposited at room temperature

The structural, magnetic and optical properties of (ZnO)_1−x(MnO₂)_x (with x = 0.03 and 0.05) thin films deposited by pulsed laser deposition (PLD) were studied. The pellets used as target, sintered at different temperatures ranging from 500 °C to 900 °C, were prepared by conventional solid state method using ZnO and MnO₂ powders. The observation of non-monotonic shift in peak position of most preferred (1 0 1) ZnO diffraction plane in XRD spectra of pellets confirmed the substitution of Mn ions in ZnO lattice of the sintered targets. The as-deposited thin film samples are found to be polycrystalline with the preferred orientation mostly along (1 1 0) diffraction plane. The UV-vis spectroscopy of the thin films revealed that the energy band gap exhibit blue shift with increasing Mn content which could be attributed to Burstein-Moss shift caused by Mn doping of the ZnO. The deposited thin films exhibit room temperature ferromagnetism having effective magnetic moment per Mn atom in the range of 0.9-1.4μ_B for both compositions.     

On the structural analysis and magnetic behavior of heavily doped Zn1−xMnxO nanopowders synthesized by wet chemistry method

Nanocrystalline Zn_1−xMn_xO(x=0−0.1) powders are prepared by polymeric precursor method and their structural and magnetic properties carefully studied. X-ray diffraction studies and Raman spectroscopy reveal that Mn²⁺ ions have substituted the Zn²⁺ ion without changing the würtzite structure of pristine ZnO up to Mn concentrations x≤0.05. The presence of a secondary phase, related to the solubility of Mn in ZnO is evident for higher Mn-doping concentrations. The negative value obtained for the Curie–Weiss temperature indicates that the interactions between the Mn ions are predominantly antiferromagnetic. Thus, no bulk ferromagnetism is evident in any of the studied samples.     

The mixed-spin ternary-alloy in the form of ABpC1−p on the Bethe lattice

The AB_pC_1−p type of mixed ferromagnetic-ferrimagnetic ternary-alloy with A (spin-3/2), B (spin-1) and C (spin-5/2) ions was studied on the Bethe lattice with the odd numbered shells containing only A ions, while the even numbered shells either containing B or C ions randomly. The phase diagrams were obtained on the (R=|J_AC|/J_AB,kT_c/J_AB) and (p, kT_c/J_AB) planes for given values of p and R, respectively, with the coordination numbers z=3, 4, 5 and 6. The explicit dependence of the phase diagrams on z and each shell of the Bethe lattice having only one type of ion lead to some differences when compared with the previous works. The model presents one or two compensation temperatures for appropriate values of the system parameters.     

Solvothermal synthesis and magneto-optical properties of Zn1−xNixO hierarchical microspheres

Zn_1−xNi_xO (x=0-0.25) hierarchical microspheres were synthesized via a solvothermal process in ethylene glycol. The magnetic microspheres were characterized by X-ray powder diffraction, field-emission scanning electron microscopy, energy-dispersive X-ray spectra, X-ray photoelectron spectroscopy, room-temperature photoluminescence spectra, and vibrating sample magnetometer. The as-prepared samples take on a well-defined spherical architecture following the processes of spontaneous aggregation and localized Ostwald ripening. Dependence of the magnetization and morphology on Ni²⁺ content was observed. Magnetic hysteresis loops reveal that the Ni-doped ZnO microspheres exhibit ferromagnetic loops at room temperature.     

Structural,optical and morphological properties of Ga1−xMnxAs thin films deposited by magnetron sputtering for spintronic device applications

In this work, GaMnAs alloy materials were deposited on 7059 Corning glass and GaAs (1 0 0) substrates via RF magnetron sputtering technique. A concentration of Mn about 0.28 was obtained by Energy Dispersive X-ray spectroscopy. The substrate temperature was changed from 440 to 520 °C and layer thicknesses between 172 and 514 nm were obtained. Characterization by atomic force microscopy and X-ray diffraction were performed to determinate surface morphology and crystal structure, respectively. From transmittance spectral measurements we were able to determine optical constants: band gap energy (E_g), absorption coefficient (α), and refraction index (n). A correlation between morphological properties and substrate type was also studied. Diluted magnetic semiconductors like GaMnAs are considered among promising materials for the development of new spin-electronic devices.     

Inelastic X-ray scattering investigations of lattice dynamics in SmFeAsO1−xFysuperconductors

We report measurements of the phonon density of states as probed with inelastic X-ray scattering in SmFeAsO_1−xF_y powders. An unexpected strong renormalization of phonon branches around 23 meV is observed as fluorine is substituted for oxygen. Phonon dispersion measurements on SmFeAsO_1−xF_y single crystals allow us to identify the 21 meV A_1g in-phase (Sm,As) and the 26 meV B_1g (Fe,O) modes to be responsible for this renormalization, and may reveal unusual electron-phonon coupling through the spin channel in iron-based superconductors.     

Size dependence of lattice parameter for SixGe1−x nanoparticles

The phenomenon of the influence of the size of a material on its properties has been predicted theoretically and was confirmed for many materials experimentally by many researchers. It is a purpose of this paper to increase understanding of the influence of size on properties for silicon, germanium and alloy silicon-germanium nanoparticles. The relationships between lattice parameter and inverse particle radius had been investigated. The data obtained from the experiments show an unpredicted result that the lattice parameter of the Si_xGe_1−x nanoparticle expands by up to 1.5% when the size of the particle decreases to 7 nm. A calibration technique for a higher precision measurement of the lattice parameter is presented. The particles under investigation were deposited on an amorphous carbon substrate in order to prevent the influence of the misfit between deposit and crystalline substrate on the particle’s behavior.     

Sn1−xBixO2 and Sn1−xTaxO2 (0≤x≤0.75): A first-principles study

The structural, elastic, electronic and optical (x=0) properties of doped Sn_1−xBi_xO₂ and Sn_1−xTa_xO₂ (0≤x≤0.75) are studied using the first-principles pseudopotential plane-wave method within the local density approximation. The independent elastic constants C_ij and other elastic parameters of these compounds have been calculated for the first time. The mechanical stability of the compounds with different doping concentrations has also been studied. The electronic band structure and density of states are calculated and the effect of doping on these properties is also analyzed. It is seen that the band gap of the undoped compound narrowed with dopant concentration, which disappeared for x=0.26 for Bi doping and 0.36 for Ta doping. The materials thus become conductive oxides through the change in the electronic properties of the compound for x≤0.75, which may be useful for potential application. The calculated optical properties, e.g. dielectric function, refractive index, absorption spectrum, loss-function, reflectivity and conductivity of the undoped SnO₂ in two polarization directions are compared with both previous calculations and measurements.     

Theoretical study of magnetic ordering and electronic properties of AgxAl1−x N compounds

Ferromagnetic ordering of silver impurities in the AlN semiconductor is predicted by plane-wave ultrasoft pseudopotential and spin-polarized calculations based on density functional theory (DFT). It was found that an Ag impurity atom led to a ferromagnetic ground state in Ag_0.0625Al_0.9375N, with a net magnetic moment of 1.95 μ_B per supercell. The nitrogen neighbors at the basal plane in the AgN₄ tetrahedron are found to be the main contributors to the magnetization. This magnetic behavior is different from the ones previously reported on transition metal (TM) based dilute magnetic semiconductor (DMS), where the magnetic moment of the TM atom impurity is higher than those of the anions bonded to it. The calculated electronic structure band reveals that the Ag-doped AlN is p-type ferromagnetic semiconductor with a spin-polarized impurity band in the AlN band gap. In addition, the calculated density of states reveals that the ferromagnetic ground state originates from the strong hybridization between 4d-Ag and 2p-N states. This study shows that 4d transition metals such as silver may also be considered as candidates for ferromagnetic dopants in semiconductors.     

Investigations on structural and optical properties of Zn1−xGdxS nanoparticles

Zn_1−xGd_xS (x = 0.00, 0.02 and 0.04) nanoparticles were synthesized by facile chemical co-precipitation method using PVP as a surfactant. ZnS nanoparticles could be doped with Gd ions during synthesis without altering the XRD patterns of ZnS. Also, the pattern of the powders showed cubic zincblende structure. The particle size obtained from the XRD studies lies in the range 3-5 nm, whereas from TEM analysis it is 4 nm for x = 0.02 sample. The UV-Vis absorption spectra revealed that Zn_1−xGd_xS nanoparticles exhibit strong confinement effect as the blue shift in the absorption spectra with that of the undoped ZnS. The photoluminescence spectra showed enhanced luminescence intensity and the entry of Gd into host lattice.     

Structure and magnetization studies of Nd0.5−xPrxSr0.5MnO3 system

The structural and magnetic properties of Nd_0.5−xPr_xSr_0.5MnO₃ (x=0, 0.1, 0.2, 0.3, 0.4 and 0.5) system have been investigated. With the substitution of Pr in Nd_0.5Sr_0.5MnO₃, it shows a gradual structure transformation from the Imma orthorhombic symmetry to the tetragonal I4/mcm phase, and the crystallographic transition remains incomplete, even in Pr_0.5Sr_0.5MnO₃. A large bifurcation between zero-field-cooled (ZFC) and field-cooled (FC) susceptibility has been observed below Curie temperature (T_C), which is characteristic of coexistence of ferromagnetism (FM) and antiferromagnetism (AFM) at low temperature region. The magnetization of Pr_0.5Sr_0.5MnO₃ is larger than that of Nd_0.5Sr_0.5MnO₃, while Nd_0.5Sr_0.5MnO₃ with more CE-type AFM shows larger magnetization than Nd_0.3Pr_0.2Sr_0.5MnO_3, which mixed with CE-type (majority) and A-type (minority) AFM at low temperature, indicating that the magnetization of Nd_0.5−xPr_xSr_0.5MnO₃ system is affected by A-site disorder combined with orbital ordering of A-type AFM and CE-type AFM.     

Absence of magnetic ordering in low dimensional mixed magnetic Mn1−xNixCl2·H2O

A new mixed magnet, Mn_1−xNi_xCl₂·H₂O, is examined by dc magnetization and susceptibility measurements across the entire composition range. The pure components are quasi-one-dimensional Heisenberg antiferromagnets ordering at 2.17 K (Mn) and 5.6₅ K (Ni) due to weaker interchain exchange supplementing the dominant exchange along MCl₂MCl₂M… chemical and structural chains. High temperature magnetic susceptibilities yield Curie and Weiss constants in χ_M=C/(T−θ). C(x) is linear but θ(x) displays curvature, which is analyzed to show that unlike-ion exchange is ferromagnetic and similar in size to like-ion. Most notable is the absence of antiferromagnetic susceptibility maxima down to 1.6 K from x=0.10 to 0.95. For x=0.05 a susceptibility maximum appears, with T_max almost 20% lower than in the pure Mn component but T_c reduced by 2%. The size of the susceptibility is enhanced by admixture, the effect of disrupted antiferromagnetic tendencies. Magnetization isotherms evolve with composition. Larger values of magnetization, under the same measuring conditions, occur for mixtures than for pure components, consistent with frustration, which weakens antiferromagnetic alignment tendencies. The competing ferromagnetic (Ni) and antiferromagnetic (Mn) intrachain interactions, along with disorder and low dimensional characteristics, presumably lead to the absence of magnetic order over a remarkably broad composition range.     

Theoretical studies of structural, elastic, electronic and lattice dynamic properties of AlxYyB1−x−yN quaternary alloys

A theoretical study on the structural, elastic, electronic and lattice dynamic properties of Al_xY_yB_1−x−yN quaternary alloys in zinc-blend phase has been carried out with first-principles methods. Information on the lattice parameter, the lattice matching to available substrates and energy band-gaps is a prerequisite for many practical applications. The dependence of the lattice parameter a, bulk modulus B, elastic constants C₁₁, C₁₂ and C₄₄, band-gaps, optical phonon frequencies (ω_TO and ω_LO), the static and high-frequency dielectric coefficients ε (0) and ε (∞) and the dynamic effective charge Z^? were analyzed for y=0, 0.121, 0.241, 0.362 and 0.483. A significant deviation of the bulk modulus from linear concentration dependence was observed. A set of isotropic elastic parameters and related properties, namely bulk and shear moduli, Young's modulus, Poisson's ratio are numerically estimated in the frame work of the Voigt-Reuss-Hill approximation. The resistance to changes in bond length and lateral expansion in Al_xY_yB_1−x−yN increase with increasing y concentration. We observe that at y concentration about 0.035 and 0.063, Al_xY_yB_1−x−yN changes from brittle to ductile and Γ-X indirect fundamental gap becomes Γ-Γ direct fundamental gap. There is good agreement between our results and the available experimental data for the binary compound AlN, which is a support for those of the quaternary alloys that we report for the first time.