New beta(fcc)-cobalt to 210 GPa

We report a new phase transition in cobalt from the magnetic varepsilon(hcp) to a beta(fcc) phase, likely nonmagnetic, at 105 GPa. It occurs martensitically in an extended pressure region between 105 and 150 GPa without any apparent volume change. The fcc phase of Co is in systematic accordance with the 4d and 5d counterparts. The pressure-volume isotherm of beta-Co resembles those of alpha(fcc)-Ni and varepsilon(hcp)-Fe within 1%. The phase diagram of cobalt suggests that the fcc stability increases with increasing occupancy of d-band electrons from Fe to Co to Ni.     

Coverage dependent magnetic properties of Co chain-coated carbon nanotube

Magnetic properties of Co chain-coated carbon nanotube (CNT) were investigated using a first-principles calculation. Binding energy between Co chain and CNT increased with the coverage ratio, and the adsorption of Co chains on CNT enhanced the conductance channel. Total magnetic moment of Co chains coated on CNT increased with the coverage ratio, while the magnetic moment per Co atom decreased due to spin flip of majority spin states in Co atoms. Spin polarization at the Fermi level of the Co chains was calculated to converge to that of bulk fcc Co.     

Spin fluctuation theory of ferromagnetic metals

Ferromagnetic metals at finite temperatures are discussed using the functional integral method along the lines of the unifield spin fluctuation theory of Moriya and Takahashi. We develop a simple approach which makes use of only the density of states but still takes account of the nonlocal nature of the spin fluctuations with the aid of a single-site coherent potential approximation. The effect of the charge density fluctuation is also taken into account within the saddle point approximation. The results of numerical calculations for various model densities of states including those for bcc and fcc d-metals are presented. Particularly, the Curie temperatures and the Curie-Weiss magnetic susceptibilities for Fe, Co and Ni seem to be fairly well reproduced.     

Insight on hole-hole interaction and magnetic order from dichroic auger-photoelectron coincidence spectra

The absence of sharp structures in the Auger line shapes of partially filled bands has severely limited the use of electron spectroscopy in magnetic crystals and other correlated materials. By a novel interplay of experimental and theoretical techniques we achieve a combined understanding of the photoelectron, Auger, and Auger-photoelectron coincidence spectra (APECS) of the antiferromagnetic CoO. A recently discovered dichroic effect in angle resolved (DEAR) APECS reveals a complex pattern in the Auger line shape, which is here explained in detail, labeling the final states by their total spin. Since the dichroic effect exists in the antiferromagnetic state but vanishes at the Néel temperature, the DEAR-APECS technique detects the phase transition from its local effects, thus providing a unique tool to observe and understand magnetic correlations where the usual methods are not applicable.     

Mn-stabilized zirconia: from imitation diamonds to a new potential high-Tc ferromagnetic spintronics material

From the basis of ab initio electronic structure calculations which include the effects of thermally excited magnetic fluctuations, we predict Mn-stabilized cubic zirconia to be ferromagnetic above 500 K. We find this material, which is well known both as an imitation diamond and as a catalyst, to be half-metallic with the majority and minority spin Mn impurity states lying in zirconia's wide gap. The Mn concentration can exceed 40%. The high-Tc ferromagnetism is robust to oxygen vacancy defects and to how the Mn impurities are distributed on the Zr fcc sublattice. We propose this ceramic as a promising future spintronics material.     

Effects of spin fluctuations on the paramagnetic susceptibility in fcc Fe and Rh

The paramagnetic susceptibility for fcc Fe and Rh with a negative exchange stiffness constant is calculated in the static gaussian statistics of spin fluctuations by using a realistic itinerant electron model. It is shown that a superposition of sinusoidal spin density waves persists in fcc Fe at 0 K.     

Critical point energies in hcp and fcc cobalt from appearance potential spectra

Appearance potential spectra have been measured for (low-temperature) hcp and (high-temperature) fcc cobalt. The measurements allowed a determination of the transition temperatures of (690±6) K for the hcp fcc transition and (653±12) K for the fcc hcp transition in good agreement with earlier findings. Critical-point energies are (6.7±0.3) eV for the M point in hcp cobalt and (5.6±0.3) eV for the L₇ and (8.9±0.3) eV for the X₇, K₈ critical points in fcc cobalt, respectively.     

立方铁磁体中的自旋波局域模

本文计算了简单立方铁磁体中由于磁性杂质的存在而形成的局域自旋波。其空间对称有s型模、p型模和d_r型模三种。求出了各类局域模的波函数和自旋偏离的相角分布,其相应的能级与参量J′S′/JS的关系均由曲线表出。其次分析了在体心立方和面心立方铁磁体中可能出现的局域模的对称类型。我们指出,s型局域自旋波是最有可能实际观测到的。作为观测局域自旋波的样品的铁磁体,其居里点应随渗杂浓度的增加而上升。按照这一判据,我们举出一些可以试用的实验样品。最后,通过总自旋量子数的分析,一般地断定了辐射场不可能激 关键词：     

面心立方格子上Ising自旋Ⅰ(1)的反铁磁性——配分函数的级数展开法

本文采用与文献[1]完全相类似的方法作出一般化Ising模型s=1在面心立方格子(fcc)上最近邻相互作用的反铁磁系统的统计理论,即用Pad近似式处理配分函数的高、低温幂级数有限项展开式,得出其反铁磁-顺磁转变为一阶相变。T_c=1.33J/k,小于(1/2)相应的相变点。文中算出了相关的热力学量如内能、潜热、熵、比热、长程和短程序参量,以及磁化率等。值得指出的是:(1)fcc上反铁磁-顺磁相变属于一阶,这是由格子密堆积的拓扑特征所决定,与s的大小无关;(2)T_c(s)随s的增加而缓慢地下降。 关键词：     

Electrodeposited cobalt films: hcp versus fcc nanostructuring and magnetic properties

The crystallographic structure and morphology of electrodeposited cobalt films on Au(111) is found to be very sensitive on the electrolyte pH value and on the overpotential applied during deposition. The samples, 2 to 500 nm thick, where characterized by nuclear magnetic resonance (NMR), atomic force microscopy (AFM) and electron diffraction. The latter technique shows that the Co films grow in registry with the gold underlayer, reproducing the Au(111) texture. During the first stage of growth and depending on overpotential and pH value, either continuous hcp Co films or hcp Co islands are formed. Only the latter growth mode leads to an out of plane magnetization with 100% of remanence. Increasing the thickness, fcc Co becomes the prevailing phase. Eventually the fcc to hcp ratio saturates at the same value regardless the overpotential. The thickness for which the equilibrium fcc to hcp ratio is obtained as well as the sample structure and morphology before saturation, depend strongly on the overpotential value. In any case, the predominance of the fcc Co phase leads to an in plane magnetization of the thick samples. This study opens up new opportunities of engineering the properties of electrodeposited cobalt films. Received 29 February 2000 and Received in final form 3 July 2000     

X-ray photoelectron spectra of cobalt compounds

The X-ray photoelectron spectra of a variety of cobalt(II) and cobalt(III) complexes have been investigated. Intense satellite lines were observed for the 2p, 3s and 3p peaks in the case of the high spin cobalt(II) compounds, but not for low spin cobalt(III) complexes. The satellites of the 2p levels are best explained as arising from shake-up processes, whereas those of the 3s and 3p levels are thought to arise largely from multiplet (exchange) splitting of the levels. Multiplet splitting of the 2p level is small and responsible for an increase in the doublet separation of the 2p_1/2, 2p_3/2 spin-orbit levels of the high spin cobalt(II) compounds. The chemical shifts for cobalt differ for the 2p, 3s and 3p levels of the high spin cobalt(II) compounds. Those of the 2p and 3p levels of diamagnetic cobalt(III) and low spin cobalt(II) complexes are equal. The difference in the case of the high spin cobalt(II) compounds is thought to be due to the presence of unpaired 3d electrons.     

Antiferromagnetism and phase diagram in ammoniated alkali fulleride salts

Intercalation of neutral ammonia molecules into trivalent face-centered-cubic (fcc) fulleride superconductors induces a dramatic change in electronic states. Monoammoniated alkali fulleride salts (NH3)K3-xRbxC60, forming an isostructural orthorhombic series, undergo an antiferromagnetic transition, which was found by the electron spin resonance experiment. The Neel temperature first increases with the interfullerene spacing and then decreases for (NH3)Rb3C60, forming a maximum at 76 K. This feature is explained by the generalized phase diagram of Mott-Hubbard transition with an antiferromagnetic ground state.     

Beta decay and hyperfine interactions

Experimental searches for the second-class currents and the soft pion effects in the nuclear weak axial currents are discussed. Also discussed are the hyperfine interactions of light interstitial impurities in ferromagnetic Fe and Ni, as well as in fcc and bcc non-magnetic metals. For these spin-ray correlation experiments, it is emphasized that the technical developments and improvements of the nuclear spin control by NMR and the production of polarization in the short-lived nuclear states are vital necessities.     

Electronic structure of half-metallic ferromagnet Co<Subscript>2</Subscript>MnSi at high-pressure

In this study, first principles calculation results of the half-metallic ferromagnetic Heusler compound Co₂MnSi are presented. All calculations are based on the spin-polarized generalized gradient approximation (σ-GGA) of the density functional theory and ultrasoft pseudopotentials with plane wave basis. Electronic structure of related compound in cubic L2₁ structure is investigated up to 95 GPa uniform hydrostatic pressure. The half-metal to metal transition was observed around ~70 GPa together with downward shift of the conduction band minimum (CBM) and a linear increase of direct band gap of minority spins at Γ-point with increasing pressure. The electronic density of states of minority spins at Fermi level, which are mainly due to the cobalt atoms, become remarkable with increasing pressure resulting a sharp decrease in spin polarization ratio. It can be stated that the pressure affects minority spin states rather than that of majority spins and lead to a slight reconstruction of minority spin states which lie below the Fermi level. In particular, energy band gap of minority spin states in equilibrium structure is obviously not destroyed, but the Fermi level is shifted outside the gap.     

Preparation of three-dimensional leaflike cobalt microcrystals and decoration of their surface with silver nanoparticles

Three-dimensional leaflike metallic cobalt microcrystals with radiating arrangement from each individual centers were successfully synthesized via a hydrothermal reduction approach. Time-dependent experiments were carried out to verify the rational growth mechanism of the obtained leaflike products, in which a morphology transformation from cobalt hydroxide hexagonal nanoplates to dendritic cobalt crystals and end with leaflike cobalt products was observed. Structure characterizations suggest that this transformation is associated with diffraction-limited aggregation, oriented attachment, and Ostwald ripening. XRD measurement indicates that the cobalt products exhibit a combination of hexagonal-close-packed (hcp) and face-centered-cubic (fcc) crystalline character. The products exhibit a remarkable enhanced coercivity of 193.8 Oe compared against bulk cobalt due to the shape anisotropy and hcp crystalline structure. The effect of different solvents on morphological and magnetic properties of the product was also validated. These leaflike cobalt crystals were further used as substrates to decorate their surface with Ag nanoparticles by transmetallation reaction. These Ag-modified cobalt leaves could have the potential application value in fields of magnetically recyclable catalysts and antibacterial materials.     

High-field susceptibility and spin wave spectrum in FCC Fe-Ni alloys

The high-field susceptibility and spin wave spectra in fcc Fe-Ni alloys are calculated numerically in the coherent potential approximation by using the realistic band structures with t_2g and e_g symmetries and by taking into account the difference between the band-widths of fcc Fe and Ni.     

Topology of the spin-polarized charge density in bcc and fcc iron

We report the first investigation of the topology of spin-polarized charge density, specifically in bcc and fcc iron. While the total spin-density is found to possess the topology of the non-magnetic prototypical structures, the spin-polarized charge densities of bcc and high-spin fcc iron are atypical. In these cases, the two spin densities are correlated: the spin-minority electrons have directional bond paths and deep minima, while the spin-majority electrons fill these holes, reducing bond directionality. The presence of distinct spin topologies allows us to show that the two phase changes seen in fcc iron (paramagnetic to low-spin and low-spin to high-spin) are different. The former follows the Landau symmetry-breaking paradigm and proceeds without a topological transformation, while the latter involves a topological catastrophe.     

Heat of formation of the ferromagnetic monohydride of Co

Total-energy local-spin-density energy-band calculations are employed to study the heat of formation of the CoH system recently synthetized under high pressure. Total energy of ferromagnetic fcc cobalt and of the hydride in the NaCl structure have been determined as a function of volume. Calculated heat of formation has been found in quantitative agreement with the experimental results.     

Itinerant ferromagnetism in fcc cobalt

The ground-state properties of ferromagnetic fcc Co have been calculated in the local-spin-density approximation for exchange and correlation. Large magnetic effects on the lattice constant and bulk modulus are found. In addition, the calculations show that, as in fcc Fe, fcc Co has two magnetic states, one with low volume and low moment, and the other with higher volume and higher moment. It is unlikely that effects due to the low-moment state in Co are directly observable.     

Formation and microstructure of carbon encapsulated superparamagnetic Co nanoparticles

Carbon encapsulated magnetic cobalt nanoparticles have been synthesized by the modified arc-discharge method. Both high resolution transmission electron microscopy (HREM) and powder X-ray diffraction (XRD) profiles reveal the presence of 8–15 nm diameter crystallites coated with 1–3 carbon layers. In particular, HREM images indicate that the intimate and contiguous carbon fringe around those Co nanoparticles is good evidence for complete encapsulation by carbon shell layers. The encapsulated phases are identified as hcp α-Co, fcc β-Co and cobalt carbide (Co₃C) nanocrystals using X-ray diffraction (XRD), nano-area electron diffraction (SAED) and energy dispersive X-ray analysis (EDX). However, some fcc β-Co particles with a significant fraction of stacking faults are observed by HREM and confirmed by means of numerical fast Fourier transform (FFT) of HREM lattice images. The carbon encapsulation formation and growth mechanism are also reviewed.