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Effect of Fe Doping and Point Defects (V{sub O} and V{sub Sn}) on the Magnetic Properties of SnO{sub 2}

We investigated the effects of Fe doping and point defects (oxygen and tin vacancies, V{sub O} and V{sub Sn}, respectively) on the ferromagnetism of SnO{sub 2} through first-principles calculations by using generalized gradient approximation + U under density functional theory. Calculation results show that Fe-doped SnO{sub 2} with V{sub O} or V{sub Sn} exhibit long-range ordered ferromagnetism and Curie temperature above room temperature. The system has different magnetic properties with different doping modes, which are beneficial to the magnetic adjustment of dilute magnetic semiconductor (DMS). The double-exchange effects among the electrons of O–2p and Fe–3d states are the origin of ferromagnetism in Sn{sub 15}FeO{sub 31}. Similarly, ferromagnetism in Sn{sub 14}FeO{sub 32} is derived from the double-exchange effects among the electrons of O–2p and Fe–3d states. These effects are produced by hole carriers after complexes form by Fe doping and V{sub O} or V{sub Sn}. Simultaneously, Sn{sub 14}FeO{sub 32} shows a half-metallic behavior, thus resulting in 100% conduction hole polarizability, which is highly beneficial to DMSs as a hole-injection source. Moreover, results also show that the decreased distance between Fe and vacancies (V{sub O} or V{sub Sn}) lowers formation energy and thus increases the system stability.

36 MATERIALS SCIENCE↗

Surface spins enhanced magnetoelectric coefficient and impedance spectroscopy of BaFe{sub 0.01}Ti{sub 0.99}O{sub 3} and BaFe{sub 0.015}Ti{sub 0.985}O{sub 3} nanorods

Highlights: • Multiferroic Fe-doped BaTiO{sub 3} nanorods. • Sol–gel. • Magnetoelectric coefficient. • Transmission electron microscopy. • Cole–Cole plots. - Abstract: Multiferroic BaFe{sub 0.01}Ti{sub 0.99}O{sub 3} (BFT1) and BaFe{sub 0.015}Ti{sub 0.985}O{sub 3} (BFT15) nanorods were prepared by a sol–gel synthesis and annealed at 700 °C/2 h. The tetragonal phase and nano dimensions of BFT samples are identified by X-ray diffraction and transmission electron microscopy. The enhancement in ferroelectricity depends upon low porosity, tetragonal phase, space charge field, larger surface area and oriented growth. The ferromagnetism depends upon partially filled inner shells, surface spins and oxygen vacancies. The magnetoelectric coefficient is explained on the basis of surface spins, short-range interactions near surface boundary, compressive stress and twin structure contributed by nano grains which can reside stress near grain boundaries. The frequency dependent real (Z′) and imaginary (Z″) parts of impedance spectra are confirmed by the variations that observed in dielectric properties. The values of resistance of grain boundaries, R{sub gb} is higher than grains, R{sub g} indicating that the effect of grain boundaries is dominant in BFT nanorods.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Ferromagnetism and topological surface states of manganese doped Bi{sub 2}Te{sub 3}: Insights from density-functional calculations

Based on first-principles calculations, the electronic, magnetic, and topological characters of manganese (Mn) doped topological insulator Bi{sub 2}Te{sub 3} were investigated. The Mn substitutionally doped Bi{sub 2}Te{sub 3}, where Mn atoms tend to be uniformly distributed, was shown to be p-type ferromagnetic, arising from hole-mediated Ruderman-Kittel-Kasuya-Yosida interaction. Mn doping leads to an intrinsic band splitting at Γ point, which is substantially different from that of nonmagnetic dopant. The topological surface state of Bi{sub 2}Te{sub 3} is indeed gapped by Mn doping; however, the bulk conductance limits the appearance of an insulating state. Moreover, the n-type doping behavior of Bi{sub 2}Te{sub 3} is derived from Mn entering into the van der Waals gap of Bi{sub 2}Te{sub 3}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural, Optical, Magnetic, and Dielectric Properties of Cr{sup 3+} Substituted Cobalt Aluminate Nanoparticles

The present study investigates the influence of Cr{sup 3+} substitution on structural, optical, dielectric, and magnetic properties of cobalt aluminates in the aluminates series CoAl{sub 2-x}Cr{sub x}O{sub 4}, 0.00 ≤ x ≤ 0.20. These series of nanoparticles are effectively synthesized using the co-precipitation method. The cubic spinel aluminate structure is confirmed by X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopic measurements. Transmission electron microscopy (TEM) analysis shows the formation of spherical nanoparticles, which are homogeneous in shape and size. The optical properties of the prepared samples have been investigated by means of optical absorbance spectra. The optical band gap E{sub opt}{sup i} and Urbach energy E{sub u} are estimated. At room temperature, the magnetization of undoped CoAl{sub 2}O{sub 4} reveals a weak ferromagnetic behavior. This ferromagnetism is increased for the sample with x = 0.05, and the samples with higher Cr{sup 3+} content have a tendency to be superparamagnetic on account of the formation of single-domain particles as a consequence of small particle size. Real part of dielectric constant (ε{sup ′}), dielectric loss (tanδ), ac conductivity (σ{sub ac}), real part of impedance (Z{sup ′}), and imaginary part of impedance (Z{sup ″}) are analyzed as a function of frequency and Cr{sup 3+} content. The results show that the dielectric loss (tanδ), dielectric permittivity (ε{sup ′}), and ac conductivity (σ{sub ac}) decrease with the increase in Cr{sup 3+} content, x = 0.05, and then increase with a further increase in Cr{sup 3+} content. The increase in these parameters has been explained on the basis of the hopping mechanism. From the Cole–Cole diagram, the value of the relaxation time τ can be calculated and it has been found to increase with increasing the Cr{sup 3+} content. Actually, a high dielectric constant makes these materials good for energy storage at high frequencies.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Electric-field-controlled interface strain coupling and non-volatile resistance switching of La{sub 1-x}Ba{sub x}MnO₃ thin films epitaxially grown on relaxor-based ferroelectric single crystals

We have fabricated magnetoelectric heterostructures by growing ferromagnetic La{sub 1-x}Ba{sub x}MnO₃ (x=0.2, 0.4) thin films on (001)-, (110)-, and (111)-oriented 0.31Pb(In{sub 1/2}Nb{sub 1/2})O₃-0.35Pb(Mg{sub 1/3}Nb{sub 1/2})O₃-0.34PbTiO₃ (PINT) ferroelectric single-crystal substrates. Upon poling along the [001], [110], or [111] crystal direction, the electric-field-induced non-180° domain switching gives rise to a decrease in the resistance and an enhancement of the metal-to-insulator transition temperature T C of the films. By taking advantage of the 180° ferroelectric domain switching, we identify that such changes in the resistance and T C are caused by domain switching-induced strain but not domain switching-induced accumulation or depletion of charge carriers at the interface. Further, we found that the domain switching-induced strain effects can be efficiently controlled by a magnetic field, mediated by the electronic phase separation. Moreover, we determined the evolution of the strength of the electronic phase separation against temperature and magnetic field by recording the strain-tunability of the resistance [(ΔR/R){sub strain}] under magnetic fields. Additionally, opposing effects of domain switching-induced strain on ferromagnetism above and below 197 K for the La₀.₈Ba₀.₂MnO₃ film and 150 K for the La₀.₆Ba₀.₄MnO₃ film, respectively, were observed and explained by the magnetoelastic effect through adjusting the magnetic anisotropy. Finally, using the reversible ferroelastic domain switching of the PINT, we realized non-volatile resistance switching of the films at room temperature, implying potential applications of the magnetoelectric heterostructure in non-volatile memory devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Temperature-dependent structure of Tb-doped magnetite nanoparticles

High quality 5 nm cubic Tb-doped magnetite nanoparticles have been synthesized by a wet-chemical method to investigate tailoring of magnetic properties for imaging and biomedical applications. We show that the Tb is incorporated into the octahedral 3+ sites. High-angle annular dark-field microscopy shows that the dopant is well-distributed throughout the particle, and x-ray diffraction measurements show a small lattice parameter shift with the inclusion of a rare-earth dopant. Magnetization and x-ray magnetic circular dichroism data indicate that the Tb spins are unpolarized and weakly coupled to the iron spin lattice at room temperature, and begin to polarize and couple to the iron oxide lattice at temperatures below 50 K. Broadband ferromagnetic resonance measurements show no increase in magnetic damping at room temperature for Tb-doped nanoparticles relative to undoped nanoparticles, further confirming weak coupling between Fe and Tb spins at room temperature. The Gilbert damping constant, α, is remarkably low for the Tb-doped nanoparticles, with α = 0.024 ± 0.003. These nanoparticles, which have a large fixed moment, a large fluctuating moment and optically active rare-earth elements, are potential high-relaxivity T1 and T2 MRI agents with integrated optical signatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Signature of Ferromagnetic Phase at Low Temperature in Low-Doped La{sub 0.88}Ca{sub 0.12}MnO{sub 3} Single Crystal

The confirmation of ferromagnetism at low temperature in a low-doped manganites system is always debatable. It is for the first time, electrical, magnetic, and thermal properties have been measured for manganites single crystal of La{sub 0.88}Ca{sub 0.12}MnO{sub 3} by using a floating-zone method. The electrical resistivity shows a perceptible change of resistance at a low temperature which can be viewed as a signature of the ferromagnetic phase. The ferromagnetic phase of the investigated La{sub 0.88}Ca{sub 0.12}MnO{sub 3} single crystal with Curie temperature of T{sub C} = 120 K which is in closed agreement with ac-susceptibility measurement. An analysis of the specific heat suggests the transition peak (T{sub P}) coincides with the T{sub C} and attains 1.2 J mol{sup −1} K at 116 K. The magnetoresistance (MR) and temperature coefficient of resistance (TCR) were found to be 69% and 10% respectively, which expands its subtle potential for applications in spintronics and thermistor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Magnetic and dielectric properties of Aurivillius phase Bi{sub 6}Fe{sub 2}Ti{sub 3−2x}Nb{sub x}Co{sub x}O{sub 18} (0 ≤ x ≤ 0.4)

We investigate the structural, magnetic, and dielectric properties of Bi{sub 6}Fe{sub 2}Ti{sub 3−2x}Nb{sub x}Co{sub x}O{sub 18} (0 ≤ x ≤ 0.4). The room-temperature ferromagnetism is observed in the Nb and Co co-doped samples compared with the paramagnetic behavior in Bi{sub 6}Fe{sub 2}Ti{sub 3}O{sub 18}. The ferromagnetism in Bi{sub 6}Fe{sub 2}Ti{sub 3−2x}Nb{sub x}Co{sub x}O{sub 18} can be understood in terms of spin canting of the antiferromagnetic coupling of the Fe-based and Co-based sublattices via Dzyaloshinsky-Moriya interaction. Moreover, doping Co at Ti sites can significantly enhance the ferromagnetic Curie temperature compared with the substitution of Co for Fe in the Aurivillius compounds. The dielectric loss of Bi{sub 6}Fe{sub 2}Ti{sub 3−2x}Nb{sub x}Co{sub x}O{sub 18} (0.1 ≤ x ≤ 0.4) exhibits a relaxation process. The rather large activation energy in the 0.1 ≤ x ≤ 0.3 samples implies that the relaxation process is not due to the thermal motion of oxygen vacancies inside ceramics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Magnetic modification at sub-surface of FeRh bulk by energetic ion beam irradiation

Ferromagnetic layered structure has been made at sub-surface of the antiferromagnetic FeRh bulk samples by high energy He ion beam irradiation. In accordance with the Transport of Ions in Matter simulation, such ion beam can effectively deposit the elastic collision energy in several μm regions in the depth from the surface. Measurement with a superconducting quantum interference device reveals the irradiated samples to be ferromagnetic. Assuming that only the part the energy deposited can be modified to be ferromagnetic, the corresponding irradiation induced magnetization is consistent with the data that we previously reported. On the other hand, the X-ray magnetic circular dichroism (XMCD) spectra for the irradiated samples are totally unchanged as those for the unirradiated samples. Since XMCD signal in total emission yield method is considered to be surface sensitive with a typical probing depth of several nm, the surface magnetic state is maintained to be antiferromagnetic. By utilizing these phenomena, three-dimensional magnetic patterning of FeRh can be realized, which may potentially be used for future magnetic exchange device application such as nano-scale sensors and memories.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Interface-induced superconductivity in magnetic topological insulators

The interface between two different materials can show unexpected quantum phenomena. Here, in this study, we used molecular beam epitaxy to synthesize heterostructures formed by stacking together two magnetic materials, a ferromagnetic topological insulator (TI) and an antiferromagnetic iron chalcogenide (FeTe). We observed emergent interface-induced superconductivity in these heterostructures and demonstrated the co-occurrence of superconductivity, ferromagnetism, and topological band structure in the magnetic TI layer—the three essential ingredients of chiral topological superconductivity (TSC). The unusual coexistence of ferromagnetism and superconductivity is accompanied by a high upper critical magnetic field that exceeds the Pauli paramagnetic limit for conventional superconductors at low temperatures. These magnetic TI/FeTe heterostructures with robust superconductivity and atomically sharp interfaces provide an ideal wafer-scale platform for the exploration of chiral TSC and Majorana physics.

36 MATERIALS SCIENCE↗

Modulating above-room-temperature magnetism in Ga-implanted Fe 5 GeTe 2 van der Waals magnets

The creation of van der Waals (vdW) ferromagnets with tunable Curie temperature (T C ) and magnetic anisotropy is essential in developing vdW magnet-based devices. Here, we report an effective and reliable method for modulating the magnetic properties of vdW Fe 5 GeTe 2 by site-specific Ga + implantation. In this study, we report an easy axis in the ab-plane for bulk Fe 5 GeTe 2 (T C = 310 K) and an axis out of the plane for thin Fe 5 GeTe 2 flakes (T C = 290 K). Combining element-resolved photoemission electron microscopy and spatially resolved magneto-optic Kerr microscopy, we find that the implantation of a tiny amount of 10 –3 Ga + ·Å –3 in Fe 5 GeTe 2 greatly enhances the T C from 290 to 360 K and switches the magnetic easy axis from the out-of-plane c axis to the ab-plane. The room-temperature x-ray magnetic circular dichroism signal is enhanced from 0% to 9% at an implantation level of 10 –2 Ga + ·Å –3 . These results provide new opportunities for tailoring the magnetic properties of vdW materials beyond room temperature.

36 MATERIALS SCIENCE↗

Magnetic, dielectric, and magneto-dielectric properties of rare-earth-substituted Aurivillius phase Bi₆Fe₁.₄Co₀.₆Ti₃O₁₈

We investigate the magnetic, dielectric, and magnetodielectric properties of rare-earth-substituted Aurivillius phase Bi₆Fe₁.₄Co₀.₆Ti₃O₁₈. The room-temperature ferromagnetic behavior is observed in all samples, and the rare-earth-substituted samples exhibit an enhanced magnetization. The weak ferromagnetism can be ascribed to the spin canting of the antiferromagnetic coupling of the Fe-based and Co-based sublattices via Dzyaloshinsky-Moriya interaction. The dielectric loss of all samples exhibits two dielectric relaxation peaks corresponding to two different relaxation mechanisms. One relaxation process with E{sub a}=0.5 eV is related to the hoping process of oxygen vacancies and the other one with E{sub a}=1.6 eV can be ascribed to the intrinsic conduction. The Gd-doped sample exhibits a remarkable magnetodielectric effect (9.4%) at RT implying this Aurivillius phase may be the potential candidate for magnetodielectric applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dynamic response of 17-4 stainless steel as a function of manufacturing method and heat treatment

We present a series of plate-impact experiments on 17-4 stainless steel to study the effect of manufacturing method and heat treatment on the Hugoniot elastic limit (HEL), Hugoniot, phase transformation stress, and spallation strength. Two traditional manufacturing methods were considered, wrought processing and casting, as well as two additive manufacturing methods, laser powder-bed fusion (LPBF) and wire-fed electron beam (EBAM). For both LPBF and EBAM 17-4 stainless steel variants, two billets were printed, enabling the application of two unique heat treatments. The HEL stress depended heavily on the thermal history, with the HEL increasing after the formation of Cu-rich precipitates via heat treatment. The Hugoniot response both below and above the phase transition was unaffected by the manufacturing method or heat treatment. The phase transition stress depended heavily on the thermal history, with its variation being attributed to the presence of various microstructural features. This is supported by a marked increase in the phase transition stress after precipitation hardening. These results suggest that the notion of the phase transition stress being dictated by bulk composition is an oversimplification and the stress fields generated by the meso-scale structure are a dominant force. The spallation strength was lower in the cast material compared to all other 17-4 stainless steel variants due to the presence of brittle δ-ferrite inclusions. Additionally, a drop in the tensile strain-rate was observed in the spallation response above the phase transition stress, which was hypothesized to stem from the kinetics of the reversion to the low-pressure phase during spall.

Compressive stress↗

Magnetic anisotropy induced by crystal distortion in Ge{sub 1−x}Mn{sub x}Te/PbTe//KCl (001) ferromagnetic semiconductor layers

Ferromagnetic resonance (FMR) study of magnetic anisotropy is presented for thin layers of IV-VI diluted magnetic semiconductor Ge{sub 1−x}Mn{sub x}Te with x = 0.14 grown by molecular beam epitaxy on KCl (001) substrate with a thin PbTe buffer. Analysis of the angular dependence of the FMR resonant field reveals that an easy magnetization axis is located near to the normal to the layer plane and is controlled by two crystal distortions present in these rhombohedral Ge{sub 1−x}Mn{sub x}Te layers: the ferroelectric distortion with the relative shift of cation and anion sub-lattices along the [111] crystal direction and the biaxial in-plane, compressive strain due to thermal mismatch.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Polaron response dominated multiferroic property in 12R-type hexagonal Ba(Ti{sub 1/3}Mn{sub 2/3})O{sub 3-δ} ceramics

We report the multiferroic properties of 12R-type hexagonal Ba(Ti{sub 1/3}Mn{sub 2/3})O{sub 3-δ} found in Mn-doped BaTiO{sub 3} series samples. Hysteresis measurements reveal the coexistence of weak ferromagnetism and ferroelectricity at room temperature. Furthermore, frequency-driven dynamic ferroelectric phase transition is disclosed around a critical frequency of 220 Hz. Analyses on the dielectric relaxation, leakage current, crystal structure, and magnetic susceptibility lead us to conclude that the response of polarons dominates the observed physical properties, and the dynamic phase transition may ascribe to the response mode changes of the localized electrons. More importantly, we figure out the crucial factors leading to difference of the ferroelectric and magnetic properties of the 12R-type Ba(Ti{sub 1/3}Mn{sub 2/3})O{sub 3-δ} samples from that of the 6H-type Ba(Ti{sub 1-x}M{sub x})O{sub 3-δ} (M = Fe, Mn) samples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Physics of the multi-functionality of lanthanum ferrite ceramics

In the present work, we have illustrated the physics of the multifunctional characteristics of nano-crystalline LaFeO{sub 3} powder prepared using auto-combustion synthesis. The synthesized powders were phase pure and crystallized into centro-symmetric Pnma space group. The temperature dependence of dielectric constant of pure LaFeO{sub 3} exhibits dielectric maxima similar to that observed in ferroelectric ceramics with non-centrosymmetric point group. The dielectric relaxation of LaFeO{sub 3} correlates well with small polaron conduction. The occurrence of polarization hysteresis in LaFeO{sub 3} (with centro-symmetric Pnma space group) is thought to be spin current induced type. The canting of the Fe{sup 3+} spins induce weak ferromagnetism in nano-crystalline LaFeO{sub 3}. Room temperature saturation magnetization of pure LaFeO{sub 3} is reported to be 3.0 emu/g. Due to the presence of both ferromagnetic as well as polarization ordering, LaFeO{sub 3} behaves like a single phase multiferroic ceramics. The magneto-electric coupling in this system has been demonstrated through the magneto-dielectric measurements which yield about 0.8% dielectric tuning (at 10 kHz) with the application of 2 T magnetic field. As a typical application of the synthesized nano-crystalline LaFeO{sub 3} powder, we have studied its butane sensing characteristics. The efficient butane sensing characteristics have been correlated to their catalytic activity towards oxidation of butane. Through X-ray photoelectron spectroscopy analyses, we detect the surface adsorbed oxygen species on LaFeO{sub 3} surface. Surface adsorbed oxygen species play major role in their low temperature butane sensing. Finally, we have hypothesized that the desorbed H{sub 2}O and O{sub 2} (originate from surface adsorbed hydroxyl and oxygen) initiate the catalytic oxidative dehydrogenation of n-butane resulting in weakening of the electrostatics of the gas molecules.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Evidence of improved ferroelectric phase stabilization in Nd and Sc co-substituted BiFeO{sub 3}

Polycrystalline BiFeO{sub 3} and Bi{sub 0.9}Nd{sub 0.1}Fe{sub 1−x}Sc{sub x}O{sub 3} (x = 0, 0.05, and 0.10) multiferroic compounds were prepared using conventional solid-state route. X-ray diffraction studies and Raman measurements indicated that the compounds were crystallized in rhombohedral structure with R3c space group. Weak ferromagnetism was induced due to the suppression of canted spin structure in the substituted compounds. Both remanent magnetization (M{sub r}) and coercive field (H{sub c}) were enhanced in Nd and Sc substituted compounds. Further, Néel temperature T{sub N} was decreased from 644 K for BiFeO{sub 3} to 550 K for Bi{sub 0.9}Nd{sub 0.1}Fe{sub 0.9}Sc{sub 0.1}O{sub 3} compound due to weakening of magnetic exchange interactions between B-site cations in the substituted compounds. Enhanced and nearly well saturated electrical polarizations were observed in Sc substituted compounds, which are attributed to the strengthening of covalent hybridization between Bi and O ions and reduction in oxygen vacancies. The remnant polarization was enhanced to 12.5 μC/cm{sup 2} in Bi{sub 0.9}Nd{sub 0.1}Fe{sub 0.9}Sc{sub 0.1}O{sub 3} compound. Impedance studies revealed that insulating character of substituted compounds is enhanced and electrical relaxations are of non-Debye type.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Post-annealing effect on the room-temperature ferromagnetism in Cu-doped ZnO thin films

In this work, we investigated the structural and magnetic properties of both as-deposited and post-annealed Cu-doped ZnO thin films for better understanding the possible mechanisms of room-temperature ferromagnetism (RT-FM) in ZnO-based diluted magnetic oxides. All of the films have a c-axis-oriented wurtzite structure and display RT-FM. X-ray photoelectron spectroscopy results showed that the incorporated Cu ions in as-deposited films are in 1+ valence state merely, while an additional 2+ valence state occurs in post-annealed films. The presence of Cu{sup 2+} state in post-annealed film accompanies a higher magnetization value than that of as-deposited film and, in particular, the magnetization curves at 10 K and 300 K of the post-annealed film separate distinctly. Since Cu{sup 1+} ion has a filled 3d band, the RT-FM in as-deposited Cu-doped ZnO thin films may stem solely from intrinsic defects, while that in post-annealed films is enhanced due to the presence of CuO crystallites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗