Ga空位对GaN:Gd体系磁性影响的第一性原理研究

采用基于密度泛函理论的第一性原理结合投影缀加平面波的方法,研究了GaN中Ga被稀土元素Gd替代以及与邻近N或Ga空位组成的缺陷复合体的晶格常数、磁矩、形成能以及电子结构等性质.结果发现,Gd掺杂GaN后禁带宽度变窄,由直接带隙半导体转为间接带隙半导体;单个Gd原子掺杂给体系引入大约7μB的磁矩;在Gd与Ga或N空位形成的缺陷复合体系中,N空位对引入磁矩贡献很小,大约0.1μB,Ga空位能引入约2μB的磁矩.随着Ga空位的增多,体系总磁矩增加,但增加量与Ga空位的位置分布密切相关.当Ga空位分布较为稀疏时,Gd单原子磁矩受影响较小,但当Ga空位距离较近且倾向于形成团簇时,Gd单原子磁矩明显增加,而且这种情况下空位形成能也最小.     

Ga vacancy induced ferromagnetism enhancement and electronic structures of RE-doped GaN

Because of their possible applications in spintronic and optoelectronic devices, GaN dilute magnetic semiconductors (DMSs) doped by rare-earth (RE) elements have attracted much attention since the high Curie temperature was obtained in RE-doped GaN DMSs and a colossal magnetic moment was observed in the Gd-doped GaN thin film. We have systemically studied the GaN DMSs doped by RE elements (La, Ce–Yb) using the full-potential linearized augmented plane wave method within the framework of density functional theory and adding the considerations of the electronic correlation and the spin-orbital coupling effects. We have studied the electronic structures of DMSs, especially for the contribution from f electrons. The origin of magnetism, magnetic interaction and the possible mechanism of the colossal magnetic moment were explored. We found that, for materials containing f electrons, electronic correlation was usually strong and the spin–orbital coupling was sometimes crucial in determining the magnetic ground state. It was found that GaN doped by La was non-magnetic. GaN doped by Ce, Nd, Pm, Eu, Gd, Tb and Tm are stabilized at antiferromagnetic phase, while GaN doped by other RE elements show strong ferromagnetism which is suitable materials for spintronic devices. Moreover, we have identified that the observed large enhancement of magnetic moment in GaN is mainly caused by Ga vacancies (3.0μB per Ga vacancy), instead of the spin polarization by magnetic ions or originating from N vacancies. Various defects, such as substitutional Mg for Ga, O for N under the RE doping were found to bring a reduction of ferromagnetism. In addition, intermediate bands were observed in some systems of GaN:RE and GaN with intrinsic defects, which possibly opens the potential application of RE-doped semiconductors in the third generation high efficiency photovoltaic devices.     

Limits on the neutrino magnetic moment using 1496 days of Super-Kamiokande-I solar neutrino data

A search for a nonzero neutrino magnetic moment has been conducted using 1496 live days of solar neutrino data from Super-Kamiokande-I. Specifically, we searched for distortions to the energy spectrum of recoil electrons arising from magnetic scattering due to a nonzero neutrino magnetic moment. In the absence of a clear signal, we found micro(nu)相似文献   

Structural and Magnetic Properties of Sm Implanted GaN

The structural and magnetic properties of Sm ion-implanted GaN with different Sm concentrations are investigated. XRD results do not show any peaks associated with second phase formation. Magnetic investigations performed by superconducting quantum interference device reveal ferromagnetic behavior with an ordering tem- perature above room temperature in all the implanted samples, while the effective magnetic moment per Sin obtained from saturation magnetization gives a much higher value than the atomic moment of Sm. These results could be explained by the phenomenological model proposed by Dhar et al. [Phys. Rev. Lett. 94（2005）037205, Phys. Rev. B 72（2005）245203] in terms of a long-range spin polarization of the GaN matrix by the Sm atoms.     

Body-centered-cubic Ni and its magnetic properties

The body-centered-cubic (bcc) phase of Ni, which does not exist in nature, has been achieved as a thin film on GaAs(001) at 170 K via molecular beam epitaxy. The bcc Ni is ferromagnetic with a Curie temperature of 456 K and possesses a magnetic moment of 0.52+/-0.08 micro(B)/atom. The cubic magnetocrystalline anisotropy of bcc Ni is determined to be +4.0x10(5) ergs x cm(-3), as opposed to -5.7x10(4) ergs x cm(-3) for the naturally occurring face-centered-cubic (fcc) Ni. This sharp contrast in the magnetic anisotropy is attributed to the different electronic band structures between bcc Ni and fcc Ni, which are determined using angle-resolved photoemission with synchrotron radiation.     

Gd2Co2Al电子结构和磁性的第一性原理研究

从第一性原理出发，在局域自旋密度近似(LSDA)和LSDA+U(在位库仑能)近似下，采用FPLAPW密度泛函能带计算方法研究了Gd₂Co₂Al的电子结构和磁性. 从平均场近似出发，估算了体系的居里温度，并分析了导致体系居里温度偏低的原因.研究结果显示Gd₂Co₂Al为金属导体，其强的铁磁性的提供者主要是Gd，且Co的局域铁磁性是不稳定的. 基于LSDA近似的计算表明Gd₂Co₂关键词： 稀土过渡族金属间化合物 密度泛函理论 电子结构 磁性性质     

Origin of the giant magnetic moments of Fe impurities on and in Cs films

We have explored the origin of the observed giant magnetic moments ( approximately 7&mgr;(B)) of Fe impurities on the surface and in the bulk of Cs films, using the relativistic local-spin-density-approximation method. We have found that Fe impurities in Cs behave differently from those in noble metals or in Pd. Whereas the induced spin polarization of Cs atoms is negligible, the Fe ion itself is a source of the giant magnetic moment. The 3d electrons of Fe in Cs are localized as the 4f electrons in rare-earth ions so that the orbital magnetic moment becomes as large as the spin magnetic moment. The calculated total magnetic moment M = 6.43&mgr;(B) is close to the experimentally observed value.     

Spin fluctuation and local magnetism of isolated Fe impurities in Pd<Subscript>1−x</Subscript>V<Subscript>x</Subscript> alloys studied by time differential perturbed angular distribution spectroscopy

The magnetic moment and spin fluctuation temperature of isolated Fe impurity atoms in Pd_1?xV_x (0 ≤ x ≤ 0.15) alloys have been studied by time differential perturbed angular distribution (TDPAD) technique. With increasing V content in Pd matrix, a large non-linear reduction of the local magnetic moment accompanied with an exponential increase of the spin fluctuation temperature T_SF has been observed. At and beyond x = 0.12, the Fe atoms are found to be nonmagnetic. As an important new feature, T_SF is observed to vary quadratically with composition dependent changes in host spin polarization.     

Gd3Co29-xCrx新相化合物的结构与磁性

制备出具有室温单轴磁晶各向异性的非间隙型Co基Gd3Co29-xCrx化合物(x=65和70)，x射线衍射和磁性测量表明所有单相化合物均属于单斜晶系，Nd3(Fe,Ti)29型结构和A2/m空间群.Gd3Co29-xCrx化合物的居里温度在x=65时为412 K，x=70时为359 K. Gd3Co29-xCrx化合物在x=65 时磁化强度随温度的变化曲线表明，在居里温度以下的某一温度处有一补偿点，在补偿点处求得晶格分子场系数nRT=33 T f.u./μB. 关键词： Gd3Co29-xCrx化合物 x射线衍射 磁晶各向异性     

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.     

Ferromagnetism in GaN:Gd: a density functional theory study

First-principle calculations of the electronic structure and magnetic interaction of GaN:Gd have been performed within the generalized gradient approximation (GGA) of the density functional theory with the on-site Coulomb energy U taken into account (also referred to as GGA+U). The ferromagnetic p-d coupling is found to be over 2 orders of magnitude larger than the s-d exchange coupling. The experimental colossal magnetic moments and room-temperature ferromagnetism in GaN:Gd reported recently are explained by the interaction of Gd 4f spins via p-d coupling involving holes introduced by intrinsic defects such as Ga vacancies.     

Ferromagnetism induced by clustered Co in Co-doped anatase TiO2 thin films

We investigated ferromagnetism of a newly discovered ferromagnetic semiconductor Co-doped anatase TiO2 thin film, using the magnetic circular dichroism (MCD) at the Co L(2,3) absorption edges. The magnetic moment was observed to be approximately 0.1 micro(B)/Co in the measurements, but the MCD spectral line shape is nearly identical to that of Co metal, showing that the ferromagnetism is induced by a small amount of clustered Co. With thermal treatments at approximately 400 degrees C, the MCD signal increases, and the moment reaches up to approximately 1.55 micro(B)/Co, which is approximately 90% of the moment in Co metal. In the latter case, the cluster size was observed to be 20-60 nm.     

STRUCTURE AND MAGNETIC PROPERTIES OF LaCo13-BASED ALLOYS

The structure and magnetic properties of two series of LaCois-based alloys, LaCo_13-xFe_x(0≤x≤6) and La_1-xR_x(Co, Fe)₁₃ (x=0.1,0.2; R=Y, Ge, Pr, Nd Sm, Gd, Tb, Dy, Ho, Er, and Yb), are studied by X-ray diffraction and magnetic mea- surements. In the above-mentioned composotions, all the samples display a structure of NaZn₁₃ type (space group: Fm3c). In LaCo_13-xFe_x system, as the iron content increases, its Curie temperature decreases, while thc magnetic moment per 3d atom increases. This may be explained by a rigid band model. In the other alloy system, the Curie temperature goes through a maxium at R=Gd, and this reflects the influ- ence of R - T interaction. It is also observed that saturation magnetization varies with R and gets lower when R is a heavy rare earth element. The contribution of R is close to that of a free-ion moment. La_0.9Pr_0.1Co₉Fe₄ has the largest value 29μ_B/f.u.     

Direct observation of a bulklike spin moment at the Fe/GaAs(100)-4x6 interface

We have used x-ray magnetic circular dichroism, which offers a unique capability to give element specific information at submonolayer sensitivity, to determine the spin and orbital magnetic moments at the Fe/GaAs(100) interface. The wedge samples, grown by molecular beam epitaxy at room temperature, consisted of 0.25-1 monolayer (ML) Fe on GaAs(100)-4x6 capped with 9 ML Co and have shown Fe spin moments of (1.84-1.96)micro(B) and a large orbital enhancement. Our results demonstrate unambiguously that the Fe/GaAs(100)-4x6 interface is ferromagnetic with a bulklike spin moment, which is highly promising for spintronics applications.     

The magnetization of GdAl2

The magnetization of a single crystal of GdAl₂ has been measured parallel to the easy direction as a function of field (maximum field 1.7 T) within the temperature range 4.2–300 K. The main emphasis was placed on the results obtained for the ferromagnetic phase. From an analysis based on molecular field theory it is deduced that the magnetic moment at 0 K is 7.2 μ_B per Gd ion and that the molecular field cannot be represented by a simpler polynomial than λ₁M + λ₂M³ + λ₃M⁵. The same data is analysed using spin-wave theory from which it is deduced that the spin-wave stiffness is 18 meV Ų and that the conduction band susceptibility is approximately 2.6 x 10^-6 emu g^-1. The conduction electron polarization, parallel to the Gd ion moment, amounting to 0.2 μ_B per Gd ion implies the presence of an internal field acting on the conduction electrons of approximately 200 T at 0 K.     

Room temperature ferromagnetism in Cu–Gd co-doped GaN nanowires: A first-principles study

The electronic structure and room temperature ferromagnetism of wurtzite Cu–Gd co-doped GaN nanowires have been investigated by means of the first-principles calculations within the density functional theory, including the on-site Coulomb energy U. The magnetic coupling between Gd atoms in the Gd-doped GaN nanowire is paramagnetic instead of ferromagnetic (FM) as in the bulk structure. After replacing Ga with Cu atom we find a stable FM coupling between Gd magnetic moments in this p-type system. p–d coupling between Cu-3d and N-2p states pushes N-2p states up to Fermi level due to the existence of hole states introduced by Cu dopants. While the p–d coupling between host N-2p and Gd-5d states near Fermi level stabilizes a FM phase of Gd magnetic moments. Furthermore, we get a FM state above room temperature by increasing the holes concentration.     

Electron spin resonance study of the LaIn(3-x)Sn(x) superconducting system

The LaIn(3-x)Sn(x) alloy system is composed of superconducting Pauli paramagnets. For LaIn3 the superconducting critical temperature T(c) is approximately 0.7 K and it shows an oscillatory dependence as a function of Sn substitution, presenting its highest value T(c) ≈ 6.4 K for the LaSn3 end member. The superconducting state of these materials was characterized as being of the conventional type. We report our results for Gd3+ electron spin resonance measurements in the LaIn(3-x)Sn(x) compounds as a function of x. We show that the effective exchange interaction parameter J(fs) between the Gd3+ 4f local moment and the s-like conduction electrons is almost unchanged by Sn substitution and observe microscopically that LaSn3 is a conventional superconductor.     

Magnetic dissipation and fluctuations in individual nanomagnets measured by ultrasensitive cantilever magnetometry

Cantilever magnetometry with moment resolution better than 10(4)micro(B) was used to study individual nanomagnets. By using the fluctuation-dissipation theorem to interpret measurements of field-induced cantilever damping, the low frequency spectral density of magnetic fluctuations could be determined with resolution better than 1micro(B) Hz-1/2. Cobalt nanowires exhibited significant magnetic dissipation and the associated magnetic fluctuations were found to have 1/f frequency dependence. In individual submicron rare-earth alloy magnets, the dissipation/fluctuation was very small and not distinguishable from that of a bare silicon cantilever.     

La_(0.7-x)Gd_xSr_(0.3)MnO_3(x=0.20,0.30,0.40,0.50)的TCR研究(英文)

研究了La位Gd掺杂对La0.7-xGdxSr0.3MnO3(x=0.20,0.30,0.40,0.50)体系的电阻温度系数(TCR)的影响.实验结果表明:Gd掺杂将引起电阻率曲线的急剧变化,导致出现大的TCR;而且随Gd掺杂的增加,TCR在x=0.30出现峰值,然后随掺杂量增加逐步降低.体系出现大的TCR,来源于Gd掺杂引起的额外磁性耦合.