Anisotropic ferromagnetism in substituted zinc oxide

Room-temperature ferromagnetism is observed in (110) oriented ZnO films made from targets containing 5 at. % of Sc, Ti, V, Fe, Co, or Ni, but not Cr, Mn, or Cu ions. There are large moments, 2.6 micro(B) and 0.5 micro(B)/dopant atom for Co- and Ti-containing oxides, respectively. There is also a moment of 0.3 micro(B)/Sc. Magnetization is very anisotropic, with variations of up to a factor of 3 depending on the orientation of the applied field relative to the substrate. Results are interpreted in terms of a spin-split donor impurity-band model, which can account for ferromagnetism in insulating or conducting high-k oxides with concentrations of magnetic ions that lie far below the percolation threshold. Magnetic moments are associated with two-electron defects in the films as well as unpaired electrons of the 3d ions.     

High temperature ferromagnetism with a giant magnetic moment in transparent co-doped SnO(2-delta)

The occurrence of room temperature ferromagnetism is demonstrated in pulsed laser deposited thin films of Sn(1-x)Co(x)O(2-delta) (x<0.3). Interestingly, films of Sn(0.95)Co(0.05)O(2-delta) grown on R-plane sapphire not only exhibit ferromagnetism with a Curie temperature close to 650 K, but also a giant magnetic moment of 7.5+/-0.5 micro(B)/Co, not yet reported in any diluted magnetic semiconductor system. The films are semiconducting and optically highly transparent.     

Surface ferromagnetism of Pd fine particles

We report clear evidence of the ferromagnetism of gas-evaporated Pd fine particles with a clean surface. The clean Pd particle is found to have a magnetic heterostructure: the surface of the particle is ferromagnetic and the rest is paramagnetic. The size dependence of the magnetic saturation component reveals that the ferromagnetic ordering occurs only on (100) facets of the particle and that the topmost two to five layers from the surface contribute to the ferromagnetism with a magnetic moment of (0.75+/-0.31)micro(B)/atom.     

Colossal magnetic moment of Gd in GaN

We investigate the magnetic properties of epitaxial GaN:Gd layers as a function of the external magnetic field and temperature. An unprecedented magnetic moment is observed in this diluted magnetic semiconductor. The average value of the moment per Gd atom is found to be as high as 4000 micro(B) as compared to its atomic moment of 8 micro(B). The long-range spin polarization of the GaN matrix by Gd is also reflected in the circular polarization of magnetophotoluminescence measurements. Moreover, the materials system is found to be ferromagnetic above room temperature in the entire concentration range under investigation (7 x 10(15) to 2 x 10(19) cm(-3)). We propose a phenomenological model to understand the macroscopic magnetic behavior of the system. Our study reveals a close connection between the observed ferromagnetism and the colossal magnetic moment of Gd.     

Intrinsic ferromagnetism in insulating cobalt doped anatase TiO2

Using complementary experiments we show that the room temperature ferromagnetism observed in anatase Co:TiO(2) films is not carrier mediated, but coexists with the dielectric state. TEM and x-ray absorption spectroscopy reveal a solid solution of Co in anatase, where Co is not metallic but in the +2 state substituting for Ti. Measurements at 300 K yield a M(S) of 1.1 mu(B)/Co atom, while all films are highly insulating. The evidence of intrinsic ferromagnetism in the dielectric ground state of Co:TiO(2) leads to new considerations for the origin of ferromagnetism in transition metal doped oxides.     

Room-temperature magneto-optics of ferromagnetic transition-metal-doped ZnO thin films

Magneto-optic studies of ZnO doped with transition metals Co, Mn, V, and Ti indicate a significant magnetic circular dichroism (MCD) at the ZnO band edge at room temperature, together with an associated dispersive Faraday rotation. Similar spectra occur for each dopant, which implies that the ferromagnetism is an intrinsic property of the bulk ZnO lattice. At 10 K, additional paramagnetic contributions to the MCD are observed, but above about 150 K, the magnitude of the MCD signal is dominated by the ferromagnetism and is almost temperature independent. The MCD at the ZnO band edge shows room temperature hysteretic behavior.     

Electric field effect in diluted magnetic insulator anatase Co: TiO2

An external electric field induced reversible modulation of a room temperature magnetic moment and coercive field is achieved in an epitaxial and insulating thin film of dilutely cobalt-doped anatase TiO2. This first demonstration of an electric field effect in any oxide-based diluted ferromagnet is realized in a high quality epitaxial heterostructure of PbZr(0.2)Ti(0.8)O(3)/Co: TiO(2)/SrRuO(3) grown on (001) LaAlO3. The observed effect, which is about 15% in strength in a given heterostructure, can be modulated over several cycles. Possible mechanisms for electric field induced modulation of insulating ferromagnetism are discussed.     

Negligible magnetism in excellent structural quality Cr(x)Ti(1-x)O(2) anatase: contrast with high-T(C) ferromagnetism in structurally defective Cr(x)Ti(1-x)O(2)

We reexamine the mechanism of ferromagnetism in doped TiO(2) anatase, using epitaxial Cr:TiO(2) with excellent structural quality as a model system. In contrast to highly oriented but defective Cr:TiO(2) (approximately 0.5 micro(b)/Cr), these structurally superior single crystal films exhibit negligible ferromagnetism. Similar results were obtained for Co:TiO(2). We show for the first time that charge-compensating oxygen vacancies alone, as predicted by F-center mediated exchange, are not sufficient to activate ferromagnetism. Instead, the onset of ferromagnetism correlates with the presence of structural defects.     

第一性原理研究闪锌矿结构MnSb和MnBi半金属性和磁性的稳定性

采用基于第一性原理的全势能线性缀加平面波方法对闪锌矿结构MnSb和MnBi的电子结构进行自旋极化计算。闪锌矿结构MnSb和MnBi处于晶格平衡时都是半金属性的,并且它们自旋向下电子能带带隙分别是1.32eV 和1.27eV。闪锌矿结构MnSb和MnBi的自旋总磁矩都为4.00μB/formula,总磁矩主要来源于Mn的原子磁矩,Sb和Bi的原子磁矩对总磁矩的贡献很小而且为负值,它们具有明显的铁磁性特征. 使晶体晶格在±10%的范围内发生各向同性形变,对闪锌矿结构MnSb和MnBi的电子结构进行计算. 计算结果表明,当晶格各向同性形变分别为-1 % ~ 10 %和-4 % ~10 %时,闪锌矿结构MnSb和MnBi仍然保持半金属铁磁性,并且总磁矩都稳定于4.00μB/formula.     

第一性原理研究闪锌矿结构MnSb和MnBi半金属性和磁性的稳定性

采用基于第一性原理的全势能线性缀加平面波方法对闪锌矿结构MnSb和MnBi的电子结构进行自旋极化计算。闪锌矿结构MnSb和MnBi处于晶格平衡时都是半金属性的,并且它们自旋向下电子能带带隙分别是1.32eV 和1.27eV。闪锌矿结构MnSb和MnBi的自旋总磁矩都为4.00μB/formula,总磁矩主要来源于Mn的原子磁矩,Sb和Bi的原子磁矩对总磁矩的贡献很小而且为负值,它们具有明显的铁磁性特征. 使晶体晶格在±10%的范围内发生各向同性形变,对闪锌矿结构MnSb和MnBi的电子结构进行计算. 计算结果表明,当晶格各向同性形变分别为-1 % ~ 10 %和-4 % ~10 %时,闪锌矿结构MnSb和MnBi仍然保持半金属铁磁性,并且总磁矩都稳定于4.00μB/formula.     

H掺杂对ZnCoO稀磁半导体薄膜结构及磁性能的影响

利用磁控溅射法,采用亚分子分层掺杂技术交替溅射Co靶和ZnO靶,在Si衬底上制备了不同氢氩流量比的H:ZCO薄膜样品,研究了氢氩流量比对薄膜结构特性和磁学性能的影响。所制备的薄膜样品具有c轴择优取向。由于H对表面和界面处悬挂键的钝化作用,随H₂流量比的增加,薄膜的择优取向变差。磁性测量结果显示,薄膜样品的铁磁性随着氢氩流量比的增大而增强。XPS结果表明,随着H含量的增大,金属态Co团簇的相对含量逐渐增加,而氧化态Co离子的相对含量逐渐减小。H:ZCO样品中的铁磁性可能来源于Co金属团簇,H的掺入促使ZnO中的Co离子还原成Co金属团簇,从而增强了薄膜样品的室温铁磁性。     

How itinerant are 3d electrons in transition metals? A study of magnetic circular dichroism in 2p photoemission

We show how the spectral structure of the magnetic circular dichroism (MCD) in photoemission (PE) can be analysed using a sum rule for the sublevel orbital moment. For itinerant 3d metals, such as Co, Fe and Ni, the MCD in the 2p PE does not agree with a single-particle model. On the other hand, a final-state impurity model calculation gives an excellent agreement with the experimental results for the Ni 2p PE of nickel metal. This indicates that inter-configurational mixing must be taken into account to understand the detailed MCD structure in metallic systems. Vice versa, MCD-PE can help to explain the complicated behavior of electrons in correlated materials. Received: 23 May 2001 / Accepted: 4 July 2001 / Published online: 5 October 2001     

第一性原理研究闪锌矿结构CrSe和CrAs半金属铁磁性的稳定性

运用第一性原理的全势能线性缀加平面波方法对闪锌矿结构CrSe和CrAs的电子结构进行自旋极化计算.闪锌矿结构CrSe和CrAs处于晶格平衡时都具有半金属性,它们自旋向下的电子能带带隙分别为3.38 eV和1.79 eV,同时,它们的自旋总磁矩分别为4.00和3.00μ_B/formula.自旋总磁矩主要来源于Cr的原子磁矩,Se和As的原子磁矩对总磁矩的贡献很小而且为负值,因而它们具有明显的铁磁性特征.使晶体晶格在±10%的范围内发生各向同性形变,对闪锌矿结构CrSe和CrAs的电子结构进行计算.计算结果表明,当晶格各向同性形变分别为-4%～10%和-2%～10%时,闪锌矿结构CrSe和CrAs仍然保持半金属铁磁性,并且总磁矩都稳定于4.00和3.00μ_B/formula.     

第一性原理研究闪锌矿结构CrSe和CrAs半金属铁磁性的稳定性

运用第一性原理的全势能线性缀加平面波方法对闪锌矿结构CrSe和CrAs的电子结构进行自旋极化计算。闪锌矿结构CrSe和CrAs处于晶格平衡时都具有半金属性,它们自旋向下的电子能带带隙分别为3.38eV 和1. 79eV,同时,它们的自旋总磁矩分别为4.00和3.00μB/formula。自旋总磁矩主要来源于Cr的原子磁矩,Se和As的原子磁矩对总磁矩的贡献很小而且为负值,因而它们具有明显的铁磁性特征. 使晶体晶格在±10%的范围内发生各向同性形变,对闪锌矿结构CrSe和CrAs的电子结构进行计算. 计算结果表明,当晶格各向同性形变分别为-4 % ~ 10 %和-2 % ~10 %时,闪锌矿结构CrSe和CrAs仍然保持半金属铁磁性,并且总磁矩都稳定于4.00和3.00μB/formula.     

Geometric and magnetic properties of Co/Pd system

We measured geometric and magnetic properties of Co films on the Pd(1 1 1) surface by X-ray photoelectron diffraction (XPD), X-ray magnetic circular dichroism (MCD) at the Co L_2,3 edge, and the surface magneto-optical Kerr effect (SMOKE) measurements. Co thin films are found to grow incoherently with fcc island structure on the smooth Pd(1 1 1) substrate. Comparison of MCD and SMOKE measurements of Co thin films grown on rough and smooth Pd(1 1 1) surfaces suggests that perpendicular remnant magnetization and Co orbital moment are enhanced by the rough interface. Pd capping layer also induces perpendicular orbital moment enhancement. These observations indicate the influence of hybridization between Co 3d and Pd 4d at the interface on the magnetic anisotropy.     

Ruderman-Kittel-Kasuya-Yosida-like ferromagnetism in MnxGe1-x

The nature and origin of ferromagnetism in magnetic semiconductors is investigated by means of highly precise electronic and magnetic property calculations on MnxGe1-x as a function of the location of Mn sites in a large supercell. Surprisingly, the coupling is not always ferromagnetic (FM), even for large Mn-Mn distances. The exchange interaction between Mn ions oscillates as a function of the distance between them and obeys the Ruderman-Kittel-Kasuya-Yosida analytic formula. The estimated Curie temperature is in good agreement with recent experiments, and the estimated effective magnetic moment is about 1.7mu(B)/Mn, in excellent agreement with the experimental values, (1.4-1.9)mu(B)/Mn.     

Metastability of free cobalt and iron clusters: a possible precursor to bulk ferromagnetism

Homonuclear cobalt and iron clusters Co(N) and Fe(N) measured in a cryogenic molecular beam exist in two states with distinct magnetic moments (μ), polarizabilities, and ionization potentials, indicating distinct valences. The μ is approximately quantized: μ(N)～2Nμ(B) in the ground states and μ(N)(*)～Nμ(B) in the excited states for Co; μ(N)～3Nμ(B) and μ(N)(*)～Nμ(B) for Fe. At a large size, the average μ of the two states converges to the bulk value with diminishing ionization potential differences. The experiments suggest localized ferromagnetism in the two states and that itinerant ferromagnetism emerges from their superposition.     

Pressure-induced magnetic order in golden SmS

High pressure 149Sm nuclear forward scattering experiments have been performed on the nonmagnetic semiconductor SmS. We present the first clear evidence that the closure of the insulating gap at p(Delta) approximately 2 GPa coincides with the appearance of magnetic order. The pressure-induced magnetic phase transition has some first order character and suggests that the Sm ions are nearly trivalent at p(Delta). A Gamma(8) quartet crystal field ground state with a value of approximately 0.5 micro(B) for the samarium magnetic moment is inferred from our results. Considerable magnetic short range order is observed above the ordering temperature inferred from macroscopic measurements.     

Investigations of cobalt and carbon codoping in gallium nitride for spintronic applications

Extensive theoretical investigations have been carried out to study the ferromagnetic properties of transition metal doped wurtzite GaN using the Tight Binding Linear Muffin-tin Orbital (TBLMTO) method within the density functional theory. The present calculation reveals ferromagnetism in cobalt doped GaN when one gallium is replaced by cobalt in a 3×3×2 supercell of GaN, which gives rise to a cobalt concentration of 2.77%. The system is half-metallic with a magnetic moment of 4.0 μ_B. When Co is bonded with one carbon, there is a drastic decrease in magnetic moment and the system becomes metallic. When Co dimer is introduced via nitrogen which corresponds to the Co concentration of 5.5% the magnetic moment is 3.99 μ_B and the system is half-metallic. Same trend is observed when Co is bonded via nitrogen with unequal distance. When cobalt dimer is formed via carbon, the moment becomes 2.95 μ_B and it shows metallic character. For dimer via carbon with unequal distance, the moment is 3.0 μ_B and the system becomes semiconductor. For higher percentage of cobalt dopant the system shows metallic character. C and Co doped GaN samples have been synthesized experimentally and characterized with X-ray diffraction, transmission electron microscopy, micro-Raman and superconducting quantum interface device measurements. The observed results are correlated with the theoretical studies.     

Phase diagram of the disordered RKKY model in dilute magnetic semiconductors

We consider ferromagnetism in spatially randomly located magnetic moments, as in a diluted magnetic semiconductor, coupled via the carrier-mediated indirect exchange RKKY interaction. We obtain, via Monte Carlo calculations, the magnetic phase diagram as a function of the impurity moment density n(i) and the relative carrier concentration n(c)/n(i). As evidenced by the diverging correlation length and magnetic susceptibility, the boundary between ferromagnetic and nonferromagnetic phases constitutes a line of zero temperature critical points which can be viewed as a magnetic percolation transition. In the dilute limit, we find that bulk ferromagnetism vanishes for n(c)/n(i) >0.1. We also incorporate the local antiferromagnetic direct superexchange interaction between nearest neighbor impurities and examine the impact of a damping factor in the RKKY range function.