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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Understanding ferromagnetism and optical absorption in 3d transition metal-doped cubic ZrO{sub 2} with the modified Becke-Johnson exchange-correlation functional

The electronic structure, magnetic, and optical properties in cubic crystalline phase of Zr{sub 1−x}TM{sub x}O{sub 2} (TM = V, Mn, Fe, and Co) at x = 6.25% are studied using density functional theory with the Generalized Gradient Approximation and the modified Becke-Johnson of the exchange-correlation energy and potential. In our calculations, the zirconia is a p-type semiconductor and has a large band gap. We evaluated the possibility of long-range magnetic order for transition metal ions substituting Zr. Our results show that ferromagnetism is the ground state in V, Mn, and Fe-doped ZrO{sub 2} and have a high value of energy in Mn-doped ZrO{sub 2}. However, in Co-doped ZrO{sub 2}, antiferromagnetic ordering is more stable than the ferromagnetic one. The exchange interaction mechanism has been discussed to explain the responsible of this stability. Moreover, it has been found that the V, Mn, and Fe transition metals provide half-metallic properties considered to be the leading cause, responsible for ferromagnetism. Furthermore, the optical absorption spectra in the TM -doped cubic ZrO{sub 2} are investigated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

A study of ferromagnetic signals in SrTiO{sub 3} nanoparticles

It has been suggested that ferromagnetism may be a universal feature of nanoparticles related to particle size. We study this claim for the case of commercially produced SrTiO{sub 3} nanoparticles purchased from Alfa-Aesar. Both loosely-packed nanoparticle samples and pellets formed using uniaxial pressure were studied. Both loose and pressed samples were annealed in either air or in vacuum of 5×10{sup −6} Torr at 600, 800 and 1000°C. Then x-ray diffraction and SQUID measurements were made on the resulting samples. It was found that annealed loose powder samples always had a linear diamagnetic magnetization versus field response, while their pressed pellet counterparts exhibit a ferromagnetic hysteresis component in addition to the linear diamagnetic signal. Williamson-Hall analysis reveals that the particle size in pressed pellet samples increases with annealing temperature but does not change significantly in loose powder samples. The main conclusion is that the act of pressing pellets in a die introduces a spurious ferromagnetic signal into SQUID measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Zinc vacancy and erbium cluster jointly promote ferromagnetism in erbium-doped ZnO thin film

Zn{sub 1-x}Er{sub x}O (0.005 ≤ x ≤ 0.04) thin films have been prepared by inductively coupled plasma enhanced physical vapor deposition method. Ferromagnetism, crystal structure, microstructure and photoluminescence properties of the films were characterized. It is found that the chemical valence state of Er is trivalent, and the Er{sup 3+} cations play an important role in ferromagnetism. Both saturated magnetization (M{sub s}) and zinc vacancy (V{sub Zn}) are decreased with the increase of x from 0.005 to 0.03. However, further increasing x to 0.04, the M{sub s} is quenched due to the generation of Er clusters. It reveals that the intensity of M{sub s} is not only associated with the V{sub Zn} concentration, but also related to the Er clusters. The V{sub Zn} concentration and the Er clusters can jointly boost the ferromagnetism in the Zn{sub 1-x}Er{sub x}O thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2014

First principles DFT study of ferromagnetism in SnO{sub 2} induced by doped group 1A and 2A non-magnetic elements X (X=Li, Na, K, Be, Mg, Ca)

Transition metal - free - ferromagnetism in diluted magnetic semiconductors (DMS) is of much current interest in the search for more efficient DMS materials for spintronic applications. Here, we report the results of our first principles density functional theory (DFT) study on impurity - induced ferromagnetism in non-magnetic SnO{sub 2} by a non-magnetic impurity. The impurities considered are sp-type of group 1A and 2A elements X (X = Li, Na, K, Be, Mg, Ca). Even a single atom of the group 1A elements makes the system magnetic, whereas for the group 2A elements Ca and Mg, a higher doping is required to induce ferromagnetism. For all the elements studied, the magnetic moment appears to increase with the doping concentration, at least at certain impurity separations, which is a positive indicator for practical applications.

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 OSTI2014

Carrier transport properties of the Group-IV ferromagnetic semiconductor Ge{sub 1-x}Fe{sub x} with and without boron doping

We have investigated the transport and magnetic properties of group-IV ferromagnetic semiconductor Ge{sub 1-x}Fe{sub x} films (x = 1.0 and 2.3%) with and without boron doping grown by molecular beam epitaxy (MBE). In order to accurately measure the transport properties of 100-nm-thick Ge{sub 1-x}Fe{sub x} films, (001)-oriented silicon-on-insulator (SOI) wafers with an ultra-thin Si body layer (∼5 nm) were used as substrates. Owing to the low Fe content, the hole concentration and mobility in the Ge{sub 1-x}Fe{sub x} films were exactly estimated by Hall measurements because the anomalous Hall effect in these films was found to be negligibly small. By boron doping, we increased the hole concentration in Ge{sub 1-x}Fe{sub x} from ∼10{sup 18} cm{sup −3} to ∼10{sup 20} cm{sup −3} (x = 1.0%) and to ∼10{sup 19} cm{sup −3} (x = 2.3%), but no correlation was observed between the hole concentration and magnetic properties. This result presents a contrast to the hole-induced ferromagnetism in III-V ferromagnetic semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structural phase transition, narrow band gap, and room-temperature ferromagnetism in [KNbO{sub 3}]{sub 1−x}[BaNi{sub 1/2}Nb{sub 1/2}O{sub 3−δ}]{sub x} ferroelectrics

Structural phase transition, narrow band gap (E{sub g}), and room-temperature ferromagnetism (RTFM) have been observed in the [KNbO{sub 3}]{sub 1−x}[BaNi{sub 1/2}Nb{sub 1/2}O{sub 3−δ}]{sub x} (KBNNO) ceramics. All the samples have single phase perovskite structure, but exhibit a gradual transition behaviour from the orthorhombic to a cubic structure with the increase of x. Raman spectroscopy analysis not only corroborates this doping-induced change in normal structure but also shows the local crystal symmetry for x ≥ 0.1 compositions to deviate from the idealized cubic perovskite structure. A possible mechanism for the observed specific changes in lattice structure is discussed. Moreover, it is noted that KBNNO with compositions x = 0.1–0.3 have quite narrow E{sub g} of below 1.5 eV, much smaller than the 3.2 eV band gap of parent KNbO{sub 3} (KNO), which is due to the increasing Ni 3d electronic states within the gap of KNO. Furthermore, the KBNNO materials present RTFM near a tetragonal to cubic phase boundary. With increasing x from 0 to 0.3, the magnetism of the samples develops from diamagnetism to ferromagnetism and paramagnetism, originating from the ferromagnetic–antiferromagnetic competition. These results are helpful in the deeper understanding of phase transitions, band gap tunability, and magnetism variations in perovskite oxides and show the potential role, such materials can play, in perovskite solar cells and multiferroic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

(Ga,Fe)Sb: A p-type ferromagnetic semiconductor

A p-type ferromagnetic semiconductor (Ga{sub 1−x},Fe{sub x})Sb (x = 3.9%–13.7%) has been grown by low-temperature molecular beam epitaxy (MBE) on GaAs(001) substrates. Reflection high energy electron diffraction patterns during the MBE growth and X-ray diffraction spectra indicate that (Ga,Fe)Sb layers have the zinc-blende crystal structure without any other crystallographic phase of precipitates. Magnetic circular dichroism (MCD) spectroscopy characterizations indicate that (Ga,Fe)Sb has the zinc-blende band structure with spin-splitting induced by s,p-d exchange interactions. The magnetic field dependence of the MCD intensity and anomalous Hall resistance of (Ga,Fe)Sb show clear hysteresis, demonstrating the presence of ferromagnetic order. The Curie temperature (T{sub C}) increases with increasing x and reaches 140 K at x = 13.7%. The crystal structure analyses, magneto-transport, and magneto-optical properties indicate that (Ga,Fe)Sb is an intrinsic ferromagnetic semiconductor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

(Ca,Na)(Zn,Mn){sub 2}As{sub 2}: A new spin and charge doping decoupled diluted ferromagnetic semiconductor

Here, we report the successful synthesis of a spin- and charge-decoupled diluted magnetic semiconductor (DMS) (Ca,Na)(Zn,Mn){sub 2}As{sub 2}, crystallizing into the hexagonal CaAl{sub 2}Si{sub 2} structure. The compound shows a ferromagnetic transition with a Curie temperature up to 33 K with 10% Na doping, which gives rise to carrier density of n{sub p} ∼ 10{sup 20 }cm{sup −3}. The new DMS is a soft magnetic material with H{sub C} < 400 Oe. The anomalous Hall effect is observed below the ferromagnetic ordering temperature. With increasing Mn doping, ferromagnetic order is accompanied by an interaction between the local spin and mobile charge, giving rise to a minimum in resistivity at low temperatures and localizing the conduction electrons. The system provides an ideal platform for studying the interaction of the local spins and conduction electrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Enlarged Mn 3s splitting and room-temperature ferromagnetism in epitaxially grown oxygen doped Mn{sub 2}N{sub 0.86} films

Single-phase and oxygen doped Mn{sub 2}N{sub 0.86} thin films have been grown on MgO (111) by plasma-assisted molecular beam epitaxy. The films grow under tensile strain and, remarkably, they show ferromagnetic-like interactions at low temperature and ferromagnetic ordering agreed well with the Bloch-law T{sup 3/2} at room-temperature. We further demonstrate the enlarged Mn 3s splitting (6.46 eV) and its possible relation to the observed ferromagnetism. Our study not only provide a strategy for further theoretical work on oxygen doped manganese nitrides, but also shed promising light on utilizing its room-temperature FM property to fabricate spintronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Vacancy complexes induce long-range ferromagnetism in GaN

By means of density functional theory, we argue that ferromagnetism in GaN can be induced by vacancy complexes. Spin polarization originates from the charge compensation between neutral N and Ga vacancies. Defect formation energy calculations predict that a vacancy complex of two positively charged N vacancies and one doubly negative Ga vacancy is likely to form. This defect complex induces a net moment of 1 μ{sub B}, which is localized around the negative Ga center and exhibits pronounced in-plane ferromagnetic coupling. In contrast to simple Ga vacancy induced ferromagnetism, the proposed picture is in line with the fact that N vacancies have a low formation energy. Formation energies indicate mutual stabilization of the intrinsic defects in GaN.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Room temperature ferromagnetism in conducting α-(In{sub 1−x}Fe{sub x}){sub 2}O{sub 3} alloy films

We have studied electronic transport and magnetic properties of α-(In{sub 1−x}Fe{sub x}){sub 2}O{sub 3} alloy films. Temperature dependence of resistivity of the films showed semiconducting behavior of conductivity. Room temperature ferromagnetism was observed. Relatively high coercive fields indicated that observed ferromagnetism in α-(In{sub 1−x}Fe{sub x}){sub 2}O{sub 3} films were not arisen from magnetic metallic iron nano-precipitates. Remanence measurement revealed the Curie temperature of 520 K and 620 K for α-(In{sub 0.52}Fe{sub 0.48}){sub 2}O{sub 3} and α-(In{sub 0.23}Fe{sub 0.77}){sub 2}O{sub 3} films, corresponding to a weakening of superexchange interactions in these alloys (with less magnetic iron cations) with respect to canted antiferromagnet α-Fe{sub 2}O{sub 3}. Nevertheless, Curie temperatures remain much higher than 300 K, and semiconducting behavior with low activation energy in resistivity for middle composition alloy, exhibiting combined multi-functionality of room ferromagnetism and semiconducting properties, in corundum alloys such as α-(Ga{sub 1−x}Fe{sub x}){sub 2}O{sub 3} or α-Fe{sub 2−x}Ti{sub x}O{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Reversible switching of ferromagnetism in ZnCuO nanorods by electric field

The reproducible switching of ferromagnetism in ZnCuO nanorods by applying a reversible electric field has been realized. High-resolution transmission electron microscopy images showed a hexagonal wurtzite structure with no detectable trace of secondary phase or precipitation of Cu impurity in the ZnCuO nanorods. The Cu concentrations in the ZnCuO nanorods were tested by energy dispersive spectroscopy and x-ray photoelectron spectroscopy and found to be about 2.7 at. %. The switching mechanism is confirmed in terms of the formation and rupture of conductive filaments, with oxygen vacancies (V{sub O}) localized mainly on surface of the ZnCuO nanorods. Subsequently, the variation of V{sub O} concentration during the resistive switching process modulates the ferromagnetism of the ZnCuO nanorods. The saturation magnetization at low resistance state is apparently 6.4 times larger than that at high resistance state for an Au/ZnCuO/ITO structure. An indirect double-exchange model has been used to explain the ferromagnetism in ZnCuO nanorods.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Observation of ferromagnetism in Mn doped KNbO{sub 3}

Pure and Mn doped KNbO{sub 3} have been prepared by ball milling assisted ceramic method. Mn ion had been doped at Nb site to induce ferromagnetism at room temperature. X-ray diffraction (XRD) patterns reveal the formation of orthorhombic phase. High resolution scanning electron micrograph (HR-SEM) of both pure and Mn doped samples show a mixture of spherical and plate like particles. Room temperature magnetic behavior of both the samples were analyzed using vibrating sample magnetometer (VSM). 5% Mn doped KNbO{sub 3} exhibits ferromagnetic behavior. Observed ferromagnetic feature has been explained by interactions between bound magnetic polarons which are created by Mn{sup 4+} ions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Room-temperature ferromagnetism in Cr-doped Si achieved by controlling atomic structure, Cr concentration, and carrier densities: A first-principles study

By using first-principles calculations, we investigated how to achieve a strong ferromagnetism in Cr-doped Si by controlling the atomic structure and Cr concentration as well as carrier densities. We found that the configuration in which the Cr atom occupies the tetrahedral interstitial site can exist stably and the Cr atom has a large magnetic moment. Using this doping configuration, room-temperature ferromagnetism can be achieved in both n-type and p-type Si by tuning Cr concentration and carrier densities. The results indicate that the carrier density plays a crucial role in realizing strong ferromagnetism in diluted magnetic semiconductors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Ferromagnetism in proton irradiated 4H-SiC single crystal

Room-temperature ferromagnetism is observed in proton irradiated 4H-SiC single crystal. An initial increase in proton dose leads to pronounced ferromagnetism, accompanying with obvious increase in vacancy concentration. Further increase in irradiation dose lowers the saturation magnetization with the decrease in total vacancy defects due to the defects recombination. It is found that divacancies are the mainly defects in proton irradiated 4H-SiC and responsible for the observed ferromagnetism.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A theoretical investigation of Ferromagnetic Resonance Linewidth and damping constants in coupled trilayer and spin valve systems

The ferromagnetic resonance intrinsic field linewidth ΔH is investigated for a multilayer system such as a coupled trilayer and a spin valve structure. The magnetic coupling between two ferromagnetic layers separated by a nonmagnetic interlayer will be described by the bilinear J{sub 1} and biquadratic J{sub 2} coupling parameters. The interaction at the interface of the first ferromagnetic layer with the antiferromagnetic one is account for by the exchange anisotropy field, H{sub E}. A general formula is derived for the intrinsic linewidth ΔH. The explicit dependence of ΔH with H{sub E}, J{sub 1} and J{sub 2} will be highlighted. Analytical expressions for each mode field linewidth are found in special cases. Equivalent damping constants will be discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Room temperature ferromagnetism in epitaxial Cr{sub 2}O{sub 3} thin films grown on r-sapphire

We report on the epitaxial growth and magnetic properties of Cr{sub 2}O{sub 3} thin films grown on r-sapphire substrate using pulsed laser deposition. The X-ray diffraction (XRD) (2θ and Φ) and TEM characterization confirm that the films are grown epitaxially. The r-plane (011{sup ¯}2) of Cr{sub 2}O{sub 3} grows on r-plane of sapphire. The epitaxial relations can be written as [011{sup ¯}2] Cr{sub 2}O{sub 3} ‖ [011{sup ¯}2] Al{sub 2}O{sub 3} (out-of-plane) and [1{sup ¯}1{sup ¯}20] Cr{sub 2}O{sub 3} ‖ [1{sup ¯}1{sup ¯}20] Al{sub 2}O{sub 3} (in-plane). The as-deposited films showed ferromagnetic behavior up to 400 K but ferromagnetism almost vanishes with oxygen annealing. The Raman spectroscopy data together with strain measurements using high resolution XRD indicate that ferromagnetism in r-Cr{sub 2}O{sub 3} thin films is due to the strain caused by defects, such as oxygen vacancies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗