Spin Polarization Of Conduction Electrons And Electronic Structure Of Gadolinium

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Combined density functional theory and molecular dynamics

with both high oxygen and electron conduction, guiding the way towards the next generation of cathode materials. 2. Computational methods To investigate the influence of Ca, Sr, and Mn doping on the electronic and ionic conductivities, the electronic structure of the different systems was studied using density functional

Influence of the substrate temperature on the Curie

With its spin-polarization exceeding 90% and its ability to be epitaxially integrated with silicon,1 GaN,1 and GaAs,2 the ferromagnetic semiconductor EuO has a high potential to act as efficient spin-filter and spin-injector for semiconductor-based spintronics. In addition, its outstanding magnetotransport3 and magneto-optical properties4 make it

M. Lontsi Fomena, P. Blaise - Confit

gadolinium oxide c-Gd2O3 doped with a copper atom coming from an electrode (copper-rich) by a redox mechanism. Using ab initio simulations, the formation enthalpies and the specific electronic states related to neutral and charged Cu interstitials are computed, relative to the level of injection of the electrons provided by the electrodes.

Magnetic properties of (Eu,Gd)Te semiconductor layers

conducting electrons, created due to the substitution of Gd 3+ for Eu 2+ ions. It is expected that due to the high degree of electron spin polarization, (Eu,Gd)Te can be exploited in new semiconductor spintronic heterostructures as a model injector of spin-polarized carriers. (Eu,Gd)Te monocrystalline layers with Gd

Magnetic properties of (Eu,Gd)Te semiconductor layers

conducting electrons, created due to the substitution of Gd 3+ for Eu 2+ ions. It is expected that due to the high degree of electron spin polarization, (Eu,Gd)Te can be exploited in new semiconductor spintronic heterostructures as a model injector of spin-polarized carriers. (Eu,Gd)Te monocrystalline layers with Gd

Interface electronic structure at the topological

3d electrons of Fe in YIG induce the proximity effect at the interface between TI and YIG. 2. Experimental methods YIG (111) thin films (8.4nm thick) were grown by pulsed laser deposition (PLD) on gadolinium gallium garnet (GGG) (111) substrates. Stoichiometric one-inch diameter YIG tar-gets were prepared by mixing Y 2O 3 and Fe 2O 3, followed by


conduction electrons, and the extended nature of the 5f electrons means that they can interact with electron orbitals from neigh-boring atoms. Theory has recently addressed these problems. Often neglected, however, is the overwhelming evidence for large orbital contributions to the magnetic properties of actinides.


In this paper we review the present status of band structure calculations for the rare earth metals, and give details of a self-consistent, relativistic, ferromagnetic calculation for gadolinium. It is of course not possible or necessary to present a comprehensive review of the electronic structure of rare earth metals.

Antiferromagnetic ordering on the frustrated fcc lattice

Similar to the case of pure Gd metal a spin polarization of the Gd valence electronic states locally persists in GdPtBi and also in the paramagnetic state. The calculated values of these moments in DLM state is 0.17 μ B/Gd, resulting in 7.17 μ B/Gd taking into the account localized 4f electrons. The existence of the local spin polarization of

Element Speci c Magnetometry Combining X-ray Circular with

electronic structure, including the spin-orbit splitting of the 3 pcore states, the spin polarization of the empty d states of the conduction band and the distribution of den-sity of d-band states above the ermiF level [3]. In 1985, B. T. Thole with collaborators, within the framework of the simple atomic multiplet approach based on electric

First-principles study of phase stability of Gd-doped EuO

demonstrates a very high spin polarization of the conducting electrons in the ferromagnetic (FM) state.4 This half-metallic behaviorsuggestsapplicationsofdopedEuOasaspininjector material in spintronic heterostructures. On the other hand, Gd-dopedsemiconductorsareappealingasneutron-absorbing materials for solid-state neutron detection technology due to

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materials (gadolinium with 64 electrons is electrons per atom are the main ferromagnetic and N1, with rcspecuveiy 26, 27 and 28 °' S ° In the periodic classification, Fe, Co 3.2 Atomique structure of ferromagnetic materials spontaneous magnetization of the element called polarization. opposite.

Sulphur K-edge x-ray absorption fine-structure studies of

5/4/2020  The europium and gadolinium monosulphides (EuS and GdS) are well-known model compounds as regards studying magnetism in solids [1]. Despite the fact that the two chalcogenides crystallize in the same fcc rock-salt structure and the rare-earth ions have identical 4f7 configurations, their magnetic and electronic properties are surprisingly different.

Lutetium-doped EuO films grown by molecular-beam epitaxy

electrons. The interaction between the Eu f-electrons and the dopant electrons enhances the ferromagnetic exchange energy4,5 and results in an increased T C. To date, this has been accomplished through the use of trivalent cations including iron,6 8 lanthanum,1,9,10 gadolinium,11 17 and hol-mium.9 Alternatively, the T C can be increased by

NSLS Users - BNL

Structure, Electronic Properties and Reactivity, Surf. Sci., Vol. 438, p. 191-206, Beamline(s) U4A, Scattering of the Conduction Electrons of a Metallic Substrate by an Adsorbate: E. Vescovo, and P. Dowben, The Spin Polarized Band Structure of Strained Thin Films of Gadolinium, Applications of Synchrotron Radiation

Important crystal structures: Perovskite structure

The ordering of the displaced ions in the perovskite structure depends on: 1. The valence requirements of anions 2. Cation-cation repulsions Polarization due to out of center displacement of d0 ions An applied electric field can reverse the dipole orientations the structure is

Lecture 3 continuation from Wednesday

Conduction electrons Importance of el-ph Matrix elements G. L. Zhao and B. N. Harmon, Phys. Rev. B45, 2818 (1991) Electronic structure - force constants magnetic polarization. D. Haskel et al. PRL 98 247205 (2007) TMS March 10, 2008 Ge 2 Gd Si Ge 1

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CeSn3 electronic structure, 29 CeAl2 Jahn Teller effect, 339 Clebsch Gordan coefficients, 12 coherent potential approximation, 249 52 commensurable structures, 52, 82, 84, 115 23, 305 11 competing interactions, 85 9 conduction-electron polarization, 50, 258 61 conduction-electron susceptibility, 47, 262 8 cone structure, 52

Thermally induced magnetization dynamics of optically

generate a magnon spin current by means of the LSSE. The spin current would then be carried through the spacer layer by spin-polarized conduction electrons, before being absorbed in the FM metal layer, generating a STT that could be used to switch the magnetization. The effect could be used either as the primary mechanism for writing data or

Spin-polarized transport properties of GdN nanocontacts

We show that the spin polarization of conductance can indeed reach 100% in both systems and give detailed explanation of the spin-filtering mechanism in terms of electronic structure of the compound. We also expand our study onto the case of GdN chains, which show equally excellent spin-filtering properties, which are

Magnetic Materials Fundamentals And Device Applications

details of their internal structure. In metallic systems, conduction electrons moving through the skyrmion spin texture gain a nontrivial quantum Berry phase, which provides topological force to the underlying spin texture and enables the current-induced manipulation of magnetic skyrmions.

Manuscript version: Author s Accepted Manuscript

antiferromagnet (18, 19) whereas the magnetic structure of NdPtBi is of type-I (20). Additionally, one should note that the magnetic moments and f-level fillings are distinct for neodymium and gadolinium and the exchange field is sufficiently large to reveal, for example, four pairs of Weyl points that appear in GdPtBi when B [111] (Fig. 1D).

X-ray magnetic circular dichroism in iron/rare-earth

aligned 4f electron. As it was pointed out at first for Gadolinium [4], this may be attributed the polarization dependence of the dipole matrix element: due to the 4f-5d exchange interaction, the 5d majority spin shell is contracted and a stronger overlap with the wave function of the core level electron enhances the transition probability.

Chapter 8 - Magnetic and Electrical Properties

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Direct evidence of ferromagnetism without net

tuted with the gadolinium ones. They suggest that sSm,GddAl2 is a ferromagnet (with long-range order for both MS and ML) without net magnetization, as the total spin and orbital magnetic moments, including the contributions from Gd ions and conduction electrons, cancel each other out at Tcomp.5 Their consideration is very direct and simple in that

Inorganic Chemistry 412 / 512

# of electrons from the B-H unit = 5*2 = 10 e-# of electron from 4 additional H atoms = 4 e Total # of electrons involved = 14 e So, # of cluster bonding electron pairs = 7 pairs ( n + 2) The structure of B 5 H 9 is nido. 5. Iodine trichoride, ICl 3, oligomerizes, but BrCl 3 is a monomer. Give the general trend that


to the conduction electron spin-polarization. The theoretical electronic structure, Fermi surface topology, neutron magnetic form-factor and magnetic Compton profiles of ferromagnetic gadolinium are analysed. The calculated band structure is in good agreement with the results of a photoemission experiment, especially in the position of the 4f band.

2 Basics

2.1 Electronic structure and magnetism of gadolinium (Gd) Gadolinium (Gd) belongs to the rare-earth elements that comprise the group of lanthanides metals from lanthanum (La) to lutetium (Lu). The common feature exhibited by the lan-thanides is the successive lling of the 4f n electron shell along the series: from n=0 for La to n=14 in Lu case.

Ultrafast Reduction of Exchange Splitting in Ferromagnetic

a functional based on the Ortenzi spin scaling function, where the spin polarization acts upon the system self-consistently. We find that both the majority and minority bands are shifted toward the Fermi surface, but the amount of shift is different. The majority band moves upward by 0.26eV, while the [] minority one moves downward by only 0.03eV.

Gadolinium nitride GdN: revival of an old compound by x

The exchange eld generated by the Gd f electrons in the ferromagnetic phase of GdN induces a magnetic polarization of the N p band states, as can be concluded from the observation of strong magnetic circular dichroism at the N K edge of nitrogen. It indicates the presence of an important spin-orbit interaction in the nal N p states.

Ferromagnetic Semiconductor-Metal Transition in

band sets in, the gap is closed and the majority conduction electron states are populated. The system becomes half-metallic, i.e. there is nearly 100% spin polarization in the conduction band which make EuO a promising candidate for spintronics applications [19,20]. Depending on whether most of the excess electrons are in a bound or in an itinerant

Ultrafast Electron, Lattice and Spin Dynamics on Rare

involving the MSHG tool that measures the spin polarization in the surface region. An independent 2PPE measurement performed in our lab by M. Lisowski and P. Loukakos under similar conditions on the same system provide us with information regarding the transient behavior of the exchange-split electronic structure. Based on

Anisotropic effects from spin-split bands

ions. The outer electronic structure of gadolinium ions is (4Q7 with L = 0, S = 712 giving J = 712. The orbital motion of these core electrons gives no contribution to the magnetic field, which is related to the magnetization of the localized moments through the alignment of the ionic spins S. If the

Influence of the substrate temperature on the Curie

transfer electrons into the conduction band is implied. To asses this behavior we determined the dopant activity p by calculating the expected charge carrier density n ex, assuming that every Gd atom donates one electron into the conduction band14 16 according to n ex=0.042 n Eu, where n Eu designates the density of Eu atoms in EuO. The ratio


The main focus of this project is the study of Gadolinium doped Gallium Nitride. Calculations were carried out to elucidate the origin of the reported above room temperature ferro-magnetism in this system and the occurrence of much larger magnetic moments per Gd than the nominal moment of a Gd3+ ion.

Ferroelectric Disproving Predictions

The emerging field of spintronics aims to exploit the spin of the electron. [13] In a new study, researchers measure the spin properties of electronic states produced in singlet fission a process which could have a central role in the future development of solar cells. [12] In some chemical reactions both electrons and protons move together

A computational study of the electronic properties, ionic

Spin-polarized calculations were performed with the Perdew Burke Ernzerhof (PBE)23,24 functional under electronic and ionic self-consistence, withconvergencecriteria of10 5 eV and 10 3 eV Å 1 respectively. The following valence electrons for the atomic species involved were taken into account: Sm (5s25p66s 2), Sr (4s 4p65s ), Ba

Magnetism of Gadolinium: A First-Principles Perspective

the itinerant electrons of the conduction band [1,2]. The half-filled 4f shell of Gd possesses a spin moment of 7 μB, and it is energetically well separated from the conduction band of the spd electrons. In the ferromagnetic (FM) ground state the ordered local moments induce a spin splitting of about 1 eVof the conduction band resulting in

Ferromagnetism and spin-orbital compensation in Sm

spin-polarized scanning tunneling microscope.3 Thermomag-netic curves of the ferromagnetic Sm intermetallics have been measured in a temperature range from 2 to 300 K.1 Analysis of the results, using a single-ion Hamiltonian for the 4f electrons, gave the total ordered moment and the 4f spin, 4f orbital, and non-f conduction-electron components

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the non-interacting susceptibility of the conduction electrons, x 0 conduction(q,T). Such an indirect exchange interaction between moments, mediated by conduction electrons, is referred to as a RKKY (Ruderman Kittel-Kasuya Yosida) interaction and experi-mentally is what drives the magnetism in the heavy rare earth ele-ments16.

Gd impurities effect on Co CrSi alloy: first-principle

1 structure are ferromagnetic (FM) with a high Curie temperature and a significant magnetic moment [4] and many of them were pre-dictedtobehalf-metallic[5,8 11].Miuraetal[12]foundthat Co-based Heusler alloys exhibit over 70% spin polarization. These materials include Co 2CrAl (99.9%), Co 2CrSi (100%), Co 2CrGa (93.2%), Co 2CrGe (99.8%), Co 2MnSi (100%) and

AD-78i 688 RARE-EARH MATERIALS Paul L. Donoho, et al Rice

at the Fermi surface, leading to a spin polarization of the sea of conduction electro s in the vicinity of the rare-earth ion. This spin polarir.atio. extends through the crystal as a spin-density wave, with a wavelength characteristic of the electronic wavelength for electrons at the Fermi energv. The conduction elec-

Oxygen Induced Suppression of the Surface Magnetization of

a rare earth solid are mediated through s-p-d conduction electrons [1 4]. To study the changes in the electronic structure responsible for the magnetic properties of a rare earth upon oxygen adsorption, we have performed spin-resolved photoemission measurements of Gd 4f core lev-els and the oxygen-induced states. In addition, we have


The ground state electronic structures and magnetic properties have been orbitals were considered as open core states that do not hybridize with conduction electrons but having polarization calculated self-consistently. The gadolinium and cobalt magnetizations in GdCo5 are antiparallely oriented,

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line Anisotropy of Gadolinium-Yttrium Alloys 3.5. Pressure Dependence of Magnetocrystal- 41 line Anisotropy of Gadolinium 46 (A) Pressure Dependence at 77°K (B) Temperature Dependence under High Pressure DISCUSSION 4.1. Properties of Gadolinium and Yttrium (A) Properties of Gadolinium (B) Properties of yttrium 4.2.

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gadolinium atoms and the conduction electrons. The resulting polarization leads to a small reduction of the magnetic moment of gadolinium in GdNi In 1976, Gignoux 5 et al. studied monocrystalline GdNi and YNi YNi was found to be a Pauli paramagnet enhanced by 555 exchange. In GdNi , where the anisotropy is very small, a polarization of 0.16

Gadolinium and Terbium Metal Films and Surface Oxides

Yet, polarization of conduction electrons by 4f moments leads to an indirect exchange mechanism, in which the delocalized valence-band electrons mediate interaction between the localized 4f moments via theso-called Ruderman-Kittel-Kasuya-Yosida (RKKY) exchange interaction, although their contribution to the total magnetic moment is small.


Key words: crystal structure, electronic structure, magnetic properties, rare-earth-nickel compounds. 1. INTRODUCTION The RNi5 compounds, where R is a rare-earth or yttrium, crystallize in a hexagonal structure of CaCu5-type, having P6/mmm space group. In this structure the R atoms occupy 1a-type site, while nickel ones are distributed