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At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Structural, Optical, and Magnetic Properties of Nd-Doped CeO{sub 2} Nanoparticles Codoped with Transition Metal Elements (Cu, Zn, Cr)

In the present work, pure CeO{sub 2}, neodymium-doped CeO{sub 2}, and neodymium and transition metal element (Cu, Zn, Cr)-codoped CeO{sub 2} nanoparticles were synthesized by an auto-combustion method and annealed at 700 {sup ∘}C. The X-ray diffraction (XRD) studies revealed that all the samples exhibited a single-phase cubic fluorite structure with the incorporation of respective dopant ions into the CeO{sub 2} lattice. The scanning electron microscopy (SEM) images displayed the prepared nanoparticles which had an irregular flaky structure with large agglomerations. The Fourier transform Raman (FT-Raman) spectroscopy analysis revealed the increased oxygen vacancy defects in CeO{sub 2} host after doping and codoping with neodymium and transition metal elements. Ultraviolet-diffuse reflectance spectroscopy (UV-DRS) studies revealed the decrease in bandgap values in doped and codoped samples compared to pure CeO{sub 2} sample. The Fourier transform infrared spectroscopy (FTIR) studies revealed the presence of functional groups in the prepared samples. Photoluminescence (PL) spectroscopy analysis reported the decreased luminescence intensities of Nd-doped and neodymium and transition metal-codoped CeO{sub 2} nanoparticles. The vibrating sample magnetometer (VSM) results depicted that all the samples exhibited room-temperature ferromagnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Effect of the dopant concentration on the luminescence properties of InGaAs/GaAs spin light-emitting diodes with a mn δ layer

The luminescence properties of light-emitting diodes based on GaAs/InGaAs heterostructures containing Mn-doped layers are studied. The dependences of the degree of electroluminescence circular polarization on the growth parameters, specifically, the Mn content and the hole concentration are obtained. A steady increase in the degree of electroluminescence circular polarization and in the Curie temperature of the ferromagnetic structure with increasing hole concentration is observed, and a change in sign of the degree of circular polarization under variations in the Mn content is revealed. The data are interpreted on the basis of well-known models of ferromagnetism in structures based on ferromagnetic semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Enhanced anomalous Nernst effect in disordered Dirac and Weyl materials

Here, we analyze the thermoelectric response of Dirac and Weyl semimetals using the semiclassical approach, focusing on the extrinsic contributions due to skew-scattering and side jump. Our results apply to the linear response Nernst effect in ferromagnetic Dirac materials such as Fe 3 Sn 2 and Weyl semimetals like Co 3 Sn 2 S 2 . In the case of Fe 3 Sn 2 we obtain a very good agreement with known experimental anomalous Hall effect measurements, and based on that we predict a large Nernst effect in this material.We also extend the investigation to second-order response, focusing on monolayer graphene on hBN with trigonal warping as an example. Our analysis indicates that the extrinsic contributions can be a significant component of anomalous Nernst response and may be used to explain an enhanced thermoelectric response.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structural investigations on Co{sub 3-x}Mn{sub x}TeO{sub 6}; (0 < x ≤ 2); High temperature ferromagnetism and enhanced low temperature anti-ferromagnetism

In the quest of materials with high temperature ferromagnetism and low temperature anti-ferromagnetism, we prepare Co{sub 3-x}Mn{sub x}TeO{sub 6}; (0 < x ≤ 2) solid solutions. Room temperature structural investigations on these solid solutions as a function of Mn concentration using Synchrotron X-ray diffraction (SXRD) and X-ray absorption near edge structure measurements in corroboration with magnetism are presented. Phase diagram obtained from Rietveld Refinement on SXRD data as a function of Mn concentration indicates doping disproportionate mixing of both monoclinic (C2/c) and rhombohedral (R 3{sup ¯}) structure for x < 0.5, while only R 3{sup ¯} structure for x ≥ 0.5. Further, it shows increase in both lattice parameters as well as average transition metal-oxygen (Co/Mn-O) bond lengths for x ≥ 0.5. Co and Mn K-edge XANES spectra reveal that both Co and Mn are in mixed oxidation state, Co{sup 2+}/Mn{sup 2+} and Co{sup 3+}/Mn{sup 3+}. Relative ratios of Co{sup 3+}/Co{sup 2+} and Mn{sup 3+}/Mn{sup 2+} obtained using Linear combination fit decrease with increasing x (for x ≥ 0.5). These structural and spectroscopic evidences are used to provide possible interpretation of the observed paramagnetic to ferromagnetic transition at around 185 K followed by an enhanced antiferromagnetic transition ∼45 K for x = 0.5.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Structural, Optical, and Magnetic Properties of Hydrothermally Grown Fe-Doped ZnO Nanorod Arrays on Glass Substrate

In this paper, undoped and Fe-doped ZnO nanorod arrays were grown on glass substrate by a facile hydrothermal method. Structural, optical, and magnetic properties of the prepared nanorods were investigated. Structural investigation clearly showed that the prepared nanorods had single phase wurtzite structure without any secondary phases and the prepared undoped and Fe-doped nanorods were grown vertically. The optical characterization revealed that the optical band gap of ZnO nanorods was decreased by increasing the value of Fe concentration. Furthermore, the formation of diluted magnetic semiconductor nanorod arrays was verified. The origin of room temperature ferromagnetism is explained by the bound magnetic polaron concept.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

First-Principle Study on the Origin of Ferromagnetism in Non-magnetic Halide Perovskite CsCdM{sub 3} (M = Cl and Br) Doped with B, C, and N

Based on the density functional theory (DFT), we elucidate the origin of magnetization in non-magnetic cubic halide perovskite CsCdM{sub 3} (M = Cl and Br) induced by substitution of non-magnetic 2p-impurities (B, C, and N) substitution. The calculations were done within the generalized gradient approximation (GGA) and GGA plus-modified Becke and Johnson (mBJ-GGA) as the exchange correlation. The results reveal that half-metallic ferromagnetism can be obtained for C- and N-dopings with the integer magnetic moment of 3.00 and 2.00 µ{sub B} per cell. However, B substitution does not induce magnetism in both CsCdCl{sub 3} and CsCdBr{sub 3} systems. The localized magnetic moments substantially come from impurity atoms. The origin of ferromagnetism can be attributed to the p - p hybridization between 2p-impurities and its surrounding halide atoms. Our results show that doped perovskites could provide a new promising class of materials for future spintronics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Room temperature ferromagnetism and luminescent behavior of Ni doped ZnO nanoparticles prepared by coprecipitation method

The samples of Zn{sub 1-x}Ni{sub x}O (x= 0.00 and 0.05) were prepared using coprecipitation method and annealed at different temperatures. The effect of Ni ion substitution on the structural and optical properties has been studied using X-ray Diffraction, UV-Visible, Photoluminescence and Magnetic measurements. XRD measurements demonstrate that all the prepared samples are wurtzite polycrystalline single phase in nature, ruling out the presence of any secondary phase formation. Ultraviolet visible measurements showed a decrease in band gap with the increase in annealing temperature and doping concentration. The PL data shows the red shift in all the samples and luminescence quenching with Ni doping. Compared to undoped ZnO, Ni doped ZnO showed room temperature ferromagnetism.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Defect-induced magnetism in cobalt-doped ZnO epilayers

We used a synergic Co-edge X-ray absorption spectroscopy (XAS) and density functional theory calculations approach to perform a study of defects which could account for the room temperature ferromagnetism of ZnCoO, an oxide of great potential interest in semiconductor spintronics. Our results suggest that a key role is played by specific defect complexes in which O vacancies are located close to the Co atoms. Extended defects such as Co clusters have a marginal function, although we observe their formation at the epilayer surface under certain growth conditions. We also show preliminary results of the study of hydrogen-induced defects in ZnCoO epilayers deliberately hydrogen irradiated via a Kaufman source. Hydrogen was in fact predicted to mediate a ferromagnetic spin-spin interaction between neighboring magnetic impurities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Electrical, magnetic, and magneto-electrical properties in quasi-two-dimensional K{sub 0.58}RhO{sub 2} single crystals doped with rare-earth elements

In this Letter, we studied the electrical transport, magnetic property, magnetoresistance and anomalous Hall properties of La-, Sm-, Ho-, and Dy-doped quasi-two dimensional K{sub 0.58}RhO{sub 2} single crystals. At low temperature (<10 K), a significant magnetoresistance (36%) can be observed in these samples. Accordingly, the “glassy ferromagnetism” is revealed by temperature-dependent magnetization in these samples. The significant magnetoresistance is related to the granular ferromagnetism. The unconventional anomalous Hall effect is also observed in magnetic atoms doped samples. Our finding shields more light on the magnetic, magnetoresistance, and anomalous Hall properties of quasi-two-dimensional material systems doped with magnetic ions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Resistivity of Manganite Thin Film Under Strain

A complex study of the electron transport and magnetic characteristics of epitaxial manganite films La{sub 0.7}Ba{sub 0.3}MnO{sub 3} (LBMO) was carried out under conditions of the crystal structure tension caused by a mismatch between the parameters of the LBMO crystal and the substrate. The epitaxial thin films with the thickness 40–100 nm were grown by pulsed laser deposition at T = 700–800 °C in pure oxygen pressure 0.3–1 mbar. The substrates (110) NGO, (001) STO, (001) LAO, and (001) LSAT were used. By comparison of the lattice parameter of LBMO targets with substrate’s one, the lattice mismatches were derived. We used substrates in which the lattice parameter was less than for the LBMO crystal one. It is shown that the temperature dependence of the film resistance in the low-temperature region does not depend on the film stress and is in good agreement with the calculation that takes into account the interaction of carriers with magnetic excitations in the presence of strongly correlated electron states. A nonmonotonic temperature dependence of the resistance of an LBMO film deposited on ferroelectric crystals PMN-PT that was observed. This feature is typical for manganites, and indicating the presence of ferromagnetism in the system was observed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Y{sub 3}Fe{sub 5}O{sub 12} spin pumping for quantitative understanding of pure spin transport and spin Hall effect in a broad range of materials (invited)

Using Y{sub 3}Fe{sub 5}O{sub 12} (YIG) thin films grown by our sputtering technique, we study dynamic spin transport in nonmagnetic, ferromagnetic, and antiferromagnetic (AF) materials by ferromagnetic resonance spin pumping. From both inverse spin Hall effect and damping enhancement, we determine the spin mixing conductance and spin Hall angle in many metals. Surprisingly, we observe robust spin conduction in AF insulators excited by an adjacent YIG at resonance. This demonstrates that YIG spin pumping is a powerful and versatile tool for understanding spin Hall physics, spin-orbit coupling, and magnetization dynamics in a broad range of materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Stability of the interorbital-hopping mechanism for ferromagnetism in multi-orbital Hubbard models

The emergence of insulating ferromagnetic phase in iron oxychalcogenide chain system has been recently argued to be originated by interorbital hopping mechanism. However, the practical conditions for the stability of such mechanism still prevents the observation of ferromagnetic in many materials. Here, we study the stability range of such ferromagnetic phase under modifications in the crystal fields and electronic correlation strength, constructing a theoretical phase diagram. We find a rich emergence of phases, including a ferromagnetic Mott insulator, a ferromagnetic orbital-selective Mott phase, together with antiferromagnetic and ferromagnetic metallic states. We characterize the stability of the ferromagnetic regime in both the Mott insulator and the ferromagnetic orbital-selective Mott phase forms. We identify a large stability range in the phase diagram at both intermediate and strong electronic correlations, demonstrating the capability of the interorbital hopping mechanism in stabilizing ferromagnetic insulators. Our results may enable additional design strategies to expand the relatively small family of known ferromagnetic insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Study of the relation between oxygen vacancies and ferromagnetism in Fe-doped TiO{sub 2} nano-powders

In this work, we present an experimental and theoretical study of structural and magnetic properties of Fe doped rutile TiO{sub 2} nanopowders. We show that Fe-doping induces the formation of oxygen vacancies in the first-sphere coordination of iron ions, which are in +2 and +3 oxidation states. We found that Fe ions form dimers that share one oxygen vacancy in the case of Fe{sup 3+} and two oxygen vacancies in the case of Fe{sup 2+}. The saturation magnetization is almost independent of iron concentration and slightly increases with the relative fraction of Fe{sup 2+}. Ab initio calculations show that two Fe ions sharing an oxygen vacancy are coupled ferromagnetically, forming a bound magnetic polaron (BMP), but two neighbor BMPs are aligned antiparallel to each other. Extra electron doping plays a fundamental role mediating the magnetic coupling between the ferromagnetic entities: carriers, possibly concentrated at grain boundaries, mediate between the BMP to produce ferromagnetic alignment.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Magnetic study of Fe-doped CdSe nanomaterials

Nanoparticles of pure and iron (50 %) doped cadmium selenide (CdSe) have been synthesized by soft chemical route. EDAX analysis supports the inclusion of Fe into CdSe nanoparticles. The average particle size of pure and doped CdSe is found to be ∼50 nm from scanning electron microscopy (SEM). Magnetization of the samples are measured under the field cooled (FC) and zero field cooled (ZFC) modes in the temperature range from 5K to 300K applying a magnetic field of 500Oe. Field dependent magnetization (M-H) measurement indicates presence of room temperature (RT) paramagnetism and low temperature (5K) ferromagnetism of the sample.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Understanding lattice defects to influence ferromagnetic order of ZnO nanoparticles by Ni, Cu, Ce ions

Future spintronics technologies based on diluted magnetic semiconductors (DMS) will rely heavily on a sound understanding of the microscopic origins of ferromagnetism in such materials. It remains unclear, however, whether the ferromagnetism in DMS is intrinsic - a precondition for spintronics - or due to dopant clustering. For this, we include a simultaneous doping from transition metal (Ni, Cu) and rare earth (Ce) ions in ZnO nanoparticles that increase the antiferromagnetic ordering to achieve high-T{sub c} ferromagnetism. Rietveld refinement of XRD patterns indicate that the dopant ions in ZnO had a wurtzite structure and the dopants, Ni{sup 2+}, Cu{sup 2+}, Ce{sup 3+} ions, are highly influenced the lattice constants to induce lattice defects. The Ni, Cu, Ce ions in ZnO have nanoparticles formation than nanorods was observed in pure sample. FTIR involve some organic groups to induce lattice defects and the metal-oxygen bonding of Zn, Ni, Cu, Ce and O atoms to confirm wurtzite structure. Raman analysis evaluates the crystalline quality, structural disorder and defects in ZnO lattice with doping. Photoluminescence spectra have strong near-band-edge emission and visible emission bands responsible for defects due to oxygen vacancies. The energy band gap is calculated using Tauc relation. Room temperature ferromagnetism has been described due to bound magnetic polarons formation with Ni{sup 2+}, Cu{sup 2+}, Ce{sup 3+} ions in ZnO via oxygen vacancies. The zero field and field cooling SQUID measurement confirm the strength of antiferromagnetism in ZnO. The field cooling magnetization is studied by Curie-Weiss law that include antiferromagnetic interactions up to low temperature. The XPS spectra have involve +3/+4 oxidation states of Ce ions to influence the observed ferromagnetism. - Graphical abstract: The lattice defects/vacancies attributed by Ni and Ce ions in the wurtzite ZnO structure are responsible in high T{sub c} -ferromagnetism due to long-range magnetic interactions with cluster and spin-glass type growth. - Highlights: • Lattice defects/vacancies attributed high T{sub c} –ferromagnetism. • Transition metal and rare earth ions deform the wurtzite ZnO lattice to induce defects. • Oxygen vacancies are more favorable than Zn with Ni, Cu, Ce into ZnO. • Defects assisted long-range ferromagnetism of doped ZnO include cluster and spin-glass growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Effects of Co Doping and Point Defect on the Ferromagnetism of ZnO

The effects of different doping proportions of Co doping and oxygen vacancies (V{sub O}) on the ferromagnetism of zinc oxide (ZnO) are controversial. To solve this problem, we investigated the effects of Co doping and point defects (V{sub O}, V{sub Zn}, H{sub i}, and Zn{sub i}) on the ferromagnetism of ZnO through first-principle calculations by using generalized gradient approximation + U (GGA + U) under density functional theory. Results show that the closer the distance between Co and vacancies (V{sub O} or V{sub Zn}), the lower the formation energy and the more stable the system will be. Co-doped ZnO with V{sub O} or V{sub Zn} exhibits long-range ordered ferromagnetism and Curie temperature above the room temperature. Especially, Co-doped ZnO with V{sub Zn} shows a half-metallic behavior, resulting in 100% conduction hole polarizability, which is highly beneficial for dilute magnetic semiconductors (DMSs) as a hole injection source. The ferromagnetism of Zn{sub 14}CoO{sub 16} is caused by the double exchange effects among the electrons of the O–2p, Co–3d, and Zn–3d orbits mediated by the hole carriers after complexes were formed by the Co doping and Zn vacancy. Similarly, the origin of ferromagnetism in Zn{sub 15}CoO{sub 15} is derived from the double exchange effects among the electrons of O–2p, Co–3d, and Zn–4s states mediated by the electron carriers after complexes were formed by the Co doping and O vacancy. In addition, the result shows that Co-doped ZnO with interstitial H (H{sub i}) or Zn (Zn{sub i}) is unfavorable for ferromagnetism and should be avoided experimentally.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Barocaloric and magnetocaloric effects in (MnNiSi) 1- x (FeCoGe) x

(MnNiSi) 1-x (FeCoGe) x undergoes a magnetostructural phase transition near room temperature that is acutely sensitive to applied hydrostatic pressure, which presents as a marked shift in the martensitic transition temperature (T M ) by about –7.5 K/kbar. The magnetostructural transition can therefore be induced by applied hydrostatic pressure or by magnetic field. The barocaloric and magnetocaloric effects were measured across T M (for the sample with x = 0.38), and the corresponding entropy changes were +74 J/kg K (P = 2.7 kbar) and –58 J/kg K (μ 0 H = 5 T), respectively. It was observed here that the transition entropy change increases with pressure, which results in an enhancement of the barocaloric effect. Our measurements show that the transformed phase fraction associated with magnetostructural transition does not depend on pressure and, therefore, this enhancement cannot be attributed to a pressure-assisted completion of the phase transformation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Improved Ferroelectric and Ferromagnetic Properties of 1 − xBiFeO{sub 3}-xBaTiO{sub 3} Ceramics

This paper introduces the solid-phase preparation of bismuth ferrite-based multiferroic ceramics (1 − x BiFeO{sub 3}-x BaTiO{sub 3}). After the Ba and Ti doping, it can be observed from the XRD pattern that the crystal structure of the sample changes obviously. From the picture obtained from the SEM test, the grain size of the doped samples was significantly reduced. Pure BiFeO{sub 3} (BFO) showed a large leakage current, and in the leakage current test, we found that the leakage current of Ba, Ti-doped samples decreased significantly, which may be related to doping, leading to oxygen vacancy reduction. From the magnetization hysteresis loops, we can see that the ferromagnetism of the doped samples was significantly improved compared to pure BFO, because Ba, Ti doping destroys the G-type antiferromagnetic sequence of pure BFO, thereby enhancing the ferromagnetic properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗