Polarised neutron diffraction study of Mn1.09Sb

In order to study the influence of interstitial site occupancy on the electronic structure of MnSb, a polarised neutron diffraction experiment was performed on Mn_1.09Sb. The composition of the sample was obtained from the refinement of single crystal neutron diffraction data. The polarised neutron diffraction experiment yielded unpaired electron populations of the levels a^t_1g, e_g^t and e_g as follows: μ_x0 = 0.57 μ_B, μ_x± = 1.60 μ_B, μ_u± = 1.28μ_B. The comparison of these numbers with results of Yamaguchi et al shows that the spin density for this composition is reduced for the low energy level a^t_1g. This finding is interpreted by an occupation of minority spin states by electrons of the interstitial Mn atoms. In agreement with this, increasing Mn excess leads to a decreasing magnetic moment magnitude/Mn-atom and to a contraction of the lattice parameter c, indicating the strengthening of the Mn-Mn bond in [001].     

Spin-Hamiltonian theory of orbital near-degenerate state in tetragonal field

In this paper, a Spin-Hamiltonian theory of orbital near-degenerate state in tetragonal field is presented. For orbital doublet ²E, which is an orbital degenerate state in the cubic field and is a near-degenerate state in the tetragonal field, we obtain the cubic invariant form and the tetragonal invariant form of the Spin-Hamiltonian. In case of near-degeneracy (tetragonal splitting is very small) two additional g-factors are introduced to investigate Zeeman-splitting for tetragonal field. The two additional g-factors g_2z and g_2xy describe the magnetic interest between A_1g and B_1g states for a parallel magnetic field with z-axis and a perpendicular magnetic field with z-axis, respectively. The theory is based on the time-reversal invariant and the point-group symmetry invariant. The theoretical method can also be used for other orbital degenerate states ^2S+1Γ including and Γ=T₁ or T₂ and can be used for other point-group symmetry.     

Magnetic moment and electric quadrupole moment of the anomalous186Ir ground state

The ground state nuclear moments of¹⁸⁶Ir (j ^π=5⁽⁺⁾) have been determined with NMR on oriented¹⁸⁶Ir in Ni as |μ|=3.80 _?0.02 ^+0.12 μ _n andQ=?3.00 (15)b. The quadrupole moment is consistent with an anamolousj ^π K=5⁺0 or 5⁺1 ground state configuration. The explanation of the magnetic moment in terms of pure 5⁺0 or 5⁺1 configurations would require a high collectiveg _R-factor ofg _R≧0.76. On the other hand the magnetic moment can be explained with a “normal”g _R and a mixed ground state configuration.     

Quantum limit behavior of the magnetoresistance in Hg1-x-yCdxMnyTe alloys subjected to a high pulsed magnetic field

The transverse magnetoresistance and the Hall effect of a quaternary alloy semimagnetic semiconductor Hg_1-x-yCd_xMn_yTe were measured in high pulsed magnetic fields up to 30T. The investigation of the asymptotic power law (‘_p(B) ∝ B^α) in a quantum limit regime revealed that the short range type scattering is enhanced with increasing Mn composition, suggesting the scattering associated with the localized magnetic moment of Mn.     

Spin, charge, orbital and lattice degrees of freedom in quasi-cubic manganites: A brief review

The rich phase diagram of La_1-xCa_xMnO₃ is the consequence of the interplay of spin, charge, orbital and lattice degrees of freedom, giving rise to several magnetic phases, Jahn–Teller distortions, spin-canting and phase separation, and orbital and charge order. Each Mn ion is in a mixed valent state of two magnetic configurations, Mn⁴⁺ and Mn³⁺. We study the phase diagram using mean-field slave bosons for the itinerant e_g-electrons in two orbitals with excluded multiple occupancy of each site, Hund's rule interaction between the e_g and t_2g states and Jahn–Teller coupling of the e_g orbitals to the lattice.     

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.     

Magnetic and crystallographic properties of several C1b type Heusler compounds

The compounds NiMnSb and IrMnGa were studied by neutron diffraction. The former compound has the cubic Cl_b crystal structure with an ideal site occupancy of the atoms. Below 750 K the compound is ferromagnetically ordered. The magnetic moments are confined to the Mn atoms (4.0μ_B/Mn). The compound IrMnGa has a crystal structure related to the C1_b type but characterized by a high atomic disorder. Results of magnetic measurements are presented for NiMnSb, CuMnSb and IrMnGa. The results of these measurements are in accord with the occurrence of high atomic ordering in the first two compounds but point to high atomic disorder in the latter material. Total energies and Mn moments derived from band-structure calculations are presented for three different types of site occupancies in NiMnSb. The lowest total energy as well as the correct value for the Mn moment correspond to the site occupancy found by means of the neutron diffraction.     

Heusler合金Mn2NiGe磁性形状记忆效应的第一性原理预测

运用基于密度泛函理论的第一性原理,对Hg₂CuTi型Mn₂NiGe的四方变形、晶体结构、磁性、电子结构、压力响应等进行了计算.计算结果表明: 1)在由立方结构至四方结构的转变中,在c/a约为1.34处存在一个稳定的马氏体相;2)在奥氏体态和马氏体态下,Mn原子均是Mn₂NiGe总磁矩的主要贡献者,但Mn(A),Mn(B)原子磁矩的值不等且呈反平行耦合,因而Mn₂N 关键词： 第一性原理 磁性形状记忆 四方变形 马氏体相变     

Photon-gluon fusion at HERA: measurement of the fractional momentum of the gluon in lowQ 2 events

We have performed a Monte Carlo study of photon-gluon interactions at theep collider HERA. We show that it is possible to determine the fractional momentum carried by the gluon (x _g) from hadronic informations alone. In particular, in the photoproduction region, where thex andQ ² are badly measured, this could be the only global physical variable of interest, together with the hadronic invariant mass. The study of these quantities would allow a direct measurement of the gluon density of the proton in the rangex _g=2.5×10^?3∶5×10^?1.     

Electronic structure and magnetism in full-Heusler compound Mn2ZnGe

The first-principle calculations within density functional theory are used to investigate the electronic structure and magnetism of the Mn₂ZnGe Heusler alloy with CuHg₂Ti-type structure. The half-metallic ferrimagnets (HMFs) in Mn₂ZnGe are predicted. The energy gap lies in the minority-spin band for the Mn₂ZnGe alloy. The calculated total spin magnetic moment is −2μ_B per unit cell for Mn₂ZnGe alloy, the magnetic moments of Zn and Mn(B) are antiparallel to that of Mn(A), and we also found that the half-metallic properties of Mn₂ZnGe are insensitive to the dependence of lattice within the wide range of 5.69 and 5.80 Å where exhibiting perfect 100% spin polarization at the Fermi energy.     

Nuclear magnetic resonance on oriented109In(4.2h) and110In(4.9h) after recoil implantation into Fe

Radioactive¹⁰⁹In(j ^π=9/2⁺;T _1/2=4.2h) and¹¹⁰In(j ^π=7⁺;T _1/2=4.9h) were produced via the¹⁰⁹Ag (α, xn) reactions and recoil-implanted into Fe foils. With the technique of nuclear magnetic resonance on oriented nuclei the magnetic hyperfine splittings were investigated in external magnetic fieldsB ₀=0.5...4.2 kG. The zero-field splitting were measured as 268.9(2)MHz and 147.3(3)MHz for¹⁰⁹InFe and¹¹⁰InFe, respectively. With the known hyperfine fieldB _HF(InFe)=?286.6(5) kG the nuclearg-factors are deduced asg(¹⁰⁹In)=1.231(3) andg(¹¹⁰In)=0.674(2). Our result for¹⁰⁹In shows that theπ g _9/2 g-factors vary by only ～0.1% betweenA=109 and 115. For the |π _9/2 vd _5/2〉₇₊ of¹¹⁰In the additivity relation of magnetic moments is fulfilled to on accuracy of 0.3(3)%.     

Transferred hyperfine field in the pseudo-binary compound Y(Fe,Mn)2

The NMR of⁸⁹Y in Y(Fe_1−xMn_x)₂ has been observed. Two kinds of Mn moments were estimated by analyzing the⁸⁹Y hyperfine field: (1) the low spin state with about 0.6 μ_B in antiparallel to Fe moment and (2) the high spin state with about 2.8 μ_B in parallel to Fe moment. The magnetizations estimated from NMR results are in good agreement with those of magnetization measurements.     

The magnetic map of NiMn alloy thin films on Co(0 0 1) and Co(1 1 1)

Following the experimental work of Groudeva-Zotova et al. [S. Groudeva-Zotova, D. Elefant, R. Kaltofen, D. Tietjen, J. Thomas, V. Hoffmann, C.M. Schneider, J. Magn. Magn. Mater. 263 (2003) 57] where the magnetic and structural characteristics of a bi-layer NiMn-Co exchange biasing systems was investigated, density functional calculations with generalized gradient corrections were performed on (Mn_0.5Ni_0.5)_n ordered alloy on Co(0 0 1) and one Mn_1−xNi_x monolayer on Co(1 1 1). For the Mn_0.5Ni_0.5 monolayer on Co(0 0 1), magnetic moments per surface atom of 0.65 μ_B and 3.76 μ_B were obtained for Ni and Mn, respectively. Those magnetic moments are aligned parallel to the total moment of Co(0 0 1). A complex behavior of the Mn moment in dependence of the thickness “n” is obtained for (Mn_0.5Ni_0.5)_n on Co(0 0 1). Investigations on Mn_1−xNi_x monolayer on Co(1 1 1) have shown that the crystallographic orientation does not modify significantly neither the magnetic moments of Mn and Ni atoms nor their ferromagnetic coupling with the Co(1 1 1) substrate, except for x = 0.66. For x = 0.66 the Mn sub-lattice presents an antiferromagnetic coupling leading to a quenching of the Ni magnetic moment.     

Light-induced charge transfer processes in Mn-doped Bi12GeO20 and Bi12SiO20 single crystals

The optical absorption and ESR spectra of Bi₁₂GeO₂₀ and B₁₂SiO₂₀ doped with Mn have been measured before and after illumination with visible light. Uniaxial stress measurements on a sharp line observed at 8026 cm^?1 were performed. The observed ESR spectrum is a superposition of six lines resulting from the hyperfine interaction of manganese ions in tetrahedral positions. The g-factor and hyperfine constant are g = 1.999 ± 0.003 and A = 78 Gs. Analysis of the light-induced absorption spectrum leads to the conclusion that a small hole polaron bound to an Mn impurity at a tetrahedral site is responsible for the very broad absorption band which appears after illumination. The sharp line is interpreted as due to a transition inside the Mn⁺ center in tetrahedral coordination. Bands in the region 10,000–16,000 cm^?1 are due to Mn³⁺ centers in interstitial positions, whose symmetry can be treated to a first approximation as tetragonal. The following crystal field parameters for this center were found: B = 565 cm^?1, Dq = 1400 cm^?1, Dt = ?330 cm^?1, Ds = 4170 cm^?1 and C = 2260 cm^?1. The illumination conditions which are needed for homogeneous coloration of the sample are also discussed.     

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.     

Magnetic properties of Mn doped BN compound

Electronic and magnetic properties of diluted B_1−xMn_xN alloys are calculated by means of the full potential linearized augmented plane wave (FP-LAPW) method and the generalized gradient approximation (GGA). A half-metallic state is predicted for a composition of 6.25%. The spin majority being metallic and minority being semiconducting. We found a total magnetic moment of 2 μ_B (Bohr-magnetons) per supercell, in agreement with the half-metallic behaviour. The main contribution of the cell magnetic moment is localized at the transition metal site Mn, with a local moment of 1.24 μ_B.     

Structural and magnetic ordering in La0.6Ca0.4MnO3

The structural and magnetic ordering in La_0.6Ca_0.4MnO₃ has been studied by neutron powder diffraction as a function of temperature between 15 and 300 K. The para-ferromagnetic transition at T∼250 K is accompanied by significant structural distortions in the form of octahedral Mn–O₆ rotations. At 15 K, the total refined ferromagnetic moment on the Mn site was obtained as 3.1 μ_B, in reasonable agreement with the total expected average moment of mixed Mn³⁺/Mn⁴⁺ matrix.     

Nuclear magnetic resonance in icosahedral Al-Pd-Mn alloys

²⁷Al and⁵⁵Mn nuclear magnetic resonance shift,K, and²⁷Al spin lattice relaxation time,T ₁, have been measured for the six-dimensional face-centered icosahedral quasicrystals, Al_75-x Pd₁₅Mn_10+x withx=0, 2 and7. The Al₇₅Pd₁₅Mn₁₀ quasicrystal exhibits a temperature independent Knight shiftK and(T ₁ T)^–1=0.022±0.002 (K s)^–1 in a temperature range from room temperature to 5 K because there exist no Mn atoms with local magnetic moment. The replacement of Al with Mn drastically decreases the²⁷AlK, the⁵⁵MnK andT ₁ of²⁷Al, andthe²⁷AlK becomes negative. There is an additional contribution to the spin lattice relaxation time independent of temperature. This is considered to be due to the presence of a localized magnetic moment in the replaced Mn atoms.     

Extracting d-orbital occupancy from magnetic Compton scattering in bilayer manganites

We consider the shape of the magnetic Compton profile (MCP), J_mag(p_z), in La_1.2Sr_1.8Mn₂O₇ for momentum transfer p_z along the [110] direction and the associated reciprocal form factor B(r) defined by taking the one-dimensional Fourier transform of J_mag(p_z). B(r) is shown to contain a prominent dip at r≈1 Å, where the minimum value B_min of B(r) can be related to the occupancies of the e_g orbitals of dx²−y² and d3z²−r² symmetry in the system. We illustrate our procedure in detail by analyzing the measured MCP at 5 K and the MCP computed within the framework of the local spin density approximation (LSDA) and comment on the differences between the measured and computed e_g occupancies as a reflection of the limitations of the LSDA in treating electron correlation effects.     

Electronic and magnetic properties of Mn-doped WSe2 monolayer under strain

Electronic and magnetic properties of Mn-doped WSe₂ monolyer subject to isotropic strain are investigated using the first-principles methods based on the density functional theory. Our results indicate that Mn-doped WSe₂ monolayer is a magnetic semiconductor nanomaterial with strong spontaneous magnetism without strain and the total magnetic moment of Mn-doped system is 1.038μ_B. We applied strain to Mn-doped WSe₂ monolayer from -10% to 10%. The doped system transforms from magnetic semiconductor to half-metallic material from −10% to −2% compressive strain and from 2% to 6% tensile strain. The largest half-metallic gap is 0.450 eV at −2% compressive strain. The doped system shows metal property from 7% to 10%. Its maximum magnetic moment comes to 1.181μ_B at 6% tensile strain. However, the magnetic moment of system decreases to zero sharply when tensile strain arrived at 7%. Strain changes the redistribution of charges and arises to the magnetic effect. The coupling between the 3d orbital of Mn atom, 5d orbital of W atom and 4p orbital of Se atom is analyzed to explain the strong strain effect on the magnetic properties. Our studies predict Mn-doped WSe₂ monolayers under strain to be candidates for thin dilute magnetic semiconductors, which is important for application in semiconductor spintronics.