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At least 1,765 records · Page 98

Excitons in 2D Magnets

Theoretical abilities that we built: In our QSGW formalism, the electronic eigenfunctions are calculated self-consistently in presence of the ladder e-h vertex corrections to the screened Coulomb exchange. Charge and self-energies are recalculated iterated until the desired tolerance is achieved in the one-particle Green's function. Further, to include the multi-determinantal (spin-flip structure of multiplets) nature of many body correlations we combine QSGW with DMFT. Below we explore various classes of strongly correlated magnetic systems where excitons are sufficiently described within either the QSGW or the QSGW +DMFT approach. In the process, we establish the digrammatic requirements for a minimum-sufficient theory for describing excitons in large classes of materials.

2D magnets↗

Structural and magnetic properties of the CeCo 5 –CeZn 5 solid solution and potential improvements upon iron substitution

In an effort to create high-performance permanent magnets with reduced critical rare earth content, we explored the CeCo 5-x T x (T = transition metal or metalloid) family of compounds to investigate the effect of substitution on the material’s magnetic properties. In our exploration of the CeCo 5-x Zn x system, we discovered a continuous solid solution at 900 °C between the CeCo 5 and CeZn 5 binary phases with ferromagnetism existing from the CeCo 5 compound to the intermediate CeCo 2.75 Zn 2.25 compound. Single crystal studies were also conducted revealing a relatively large anisotropy field of 11.5 T at 300 K for Ce 0.96 Ta 0.04 Co 4.35 Zn 0.65 . Here, the addition of iron Ce 0.79 Ta 0.07 Co 3.77 Fe 0.89 Zn 0.47 yielded further increases in Curie temperature and saturation magnetization to 800 K and 85.5 emu/g, respectively.

36 MATERIALS SCIENCE↗

Visualization and manipulation of magnetic domains in the quasi-two-dimensional material F e 3 GeT e 2

The magnetic domains in two-dimensional layered material Fe 3 GeTe 2 are studied by using a variable-temperature scanning tunneling microscope with a magnetic tip after in situ cleaving of single crystals. A stripy domain structure is revealed in a zero-field-cooled sample below the ferromagnetic transition temperature of 205 K, which is replaced by separate double-walled domains and bubble domains when cooling the sample under a magnetic field of a ferromagnetic Ni tip. The Ni tip can further convert the double-walled domain to a bubble domain pattern as well as move the Neel-type chiral bubble in submicrometer distance. The temperature-dependent evolutions of both zero-field-cooled and field-cooled domain structures correlate well with the bulk magnetization from magnetometry measurements. Furthermore, atomic resolution scanning tunneling images and spectroscopy are acquired to understand the atomic and electronic structures of the material, which are further corroborated by first-principles calculations.

36 MATERIALS SCIENCE↗

Synthesis, structure and properties of the oxychalcogenide series A{sub 4}O{sub 4}TiSe{sub 4} (A=Sm, Gd, Tb, Dy, Ho, Er and Y)

Seven oxyselenide materials have been synthesised with composition A{sub 4}O{sub 4}TiSe{sub 4} (A=Sm, Gd–Er, Y) via solid state reactions of A{sub 2}O{sub 3}, TiSe{sub 2} and Se at 900 °C. They are all isostructural with Gd{sub 4}O{sub 4}TiSe{sub 4}. Structures have been refined from powder X-ray diffraction data and have monoclinic C2/m symmetry with unit cell parameters of a≈15.7 Å, b≈3.75 Å, c≈9.65 Å and β≈117.5°. They contain infinite ribbons of edge-sharing A{sub 4}O and A{sub 3}TiO tetrahedra 4 units wide, which are linked by chains of TiSe{sub 4}O{sub 2} edge-sharing octahedra. Compositions A=Gd–Ho, Y are semiconductors with conductivities 1–3 Sm{sup −1} at 300 K, with electronic band gaps of between 0.25 and 0.37 eV. Magnetic susceptibility is reported from 1.8 K to 300 K for compositions A=Gd–Ho. Rare earth moments appear to order antiferromagnetically at low temperatures with Gd and Tb showing evidence of ferromagnetism due to spin canting over a narrow temperature range close to T{sub N}. - Graphical abstract: Illustration of the A{sub 4}O{sub 4}TiSe{sub 4} crystal structure (C2/m symmetry), A{sub 4}O and A{sub 3}TiO edge sharing tetrahedral ribbons in red, chains of edge-sharing TiSe{sub 4}O{sub 2} in blue. Rare earth=green, titanium=blue, selenium=yellow, and oxygen=red. Display Omitted - Highlights: • Seven materials with A{sub 4}O{sub 4}TiSe{sub 4} (A=Sm, Gd–Er, Y) have been synthesised as bulk phases for the first time. • Materials are semiconductors and order antiferromagnetically at ∼4 K. • Structure contains M{sub 4}O tetrahedral ribbons and TiSe{sub 4}O{sub 2} 1D octahedral chains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Material Characterization Study of Magnetite Nanocrystals for RF Sensing

Magnetite nanocrystals show promise for electrically small gigahertz frequency applications, which could lead to miniaturizing transformer cores and new sensing technologies. This work presents a rigorous radiofrequency characterization of these nanocrystals using vector network analyzer (VNA) ferromagnetic resonance (FMR) measurements. For the first time, two different average diameters of Fe 3 O 4 nanocrystals are investigated (7.3 and 20.2 nm). When the VNA–FMR results were compared to micromagnetic simulations, the magnetic anisotropy (K 1 ) deviated from the ideal mean orientation value of K 1 /2 to K 1 /80 for the 7.3 nm nanocrystal. In contrast, the obtained magnetic anisotropy in 20.2 nm nanocrystals slightly deviated to K 1 /11 due to less structural deformations. These findings resulted in a newly proposed methodology for an approximate simulation based on VNA–FMR measurements. In addition, this work estimates the approximate amount of nanocrystals needed to measure a useful VNA–FMR spectrum.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optical control of integer and fractional Chern insulators

Optical control of topology, particularly in the presence of electron correlations, is an interesting topic with broad scientific and technological impact. Twisted MoTe 2 bilayer (tMoTe 2 ) is a zero-field fractional Chern insulator (FCI), exhibiting the fractionally quantized anomalous Hall effect. As the chirality of the edge states and sign of the Chern number are determined by the underlying ferromagnetic polarization, manipulation of ferromagnetism would realize control of the Chern insulator (CI)/FCI states. Here, in this work, we demonstrate control of ferromagnetic polarization, and thus the CI and FCI states, by circularly polarized optical pumping in tMoTe 2 . At low excitation power, we achieve on-demand preparation of ferromagnetic polarization by optical training, that is, electrically tuning the system from non-ferromagnetic to desirable ferromagnetic states under helicity-selective optical pumping. With increased excitation power, we further realize direct optical switching of ferromagnetic polarization at a temperature far below the Curie temperature. Both optical training and direct switching are most effective near CI and FCI states, which we attribute to a gap-enhanced valley polarization of optically pumped holes. The magnetization can be dynamically switched by modulating the helicity of optical excitation. Spatially resolved measurements further demonstrate optical writing of ferromagnetic, and thus CI (or FCI) domains. Our work realizes precise optical control of a topological quantum many-body system with potential applications in topological spintronics, quantum memories and creation of exotic edge states by programmable patterning of integer and fractionally quantized anomalous Hall domains.

ferromagnetism↗

Engineering collinear magnetization in hexagonal LuFeO 3 and magnetoelectric control of skyrmions in hexagonal 2D epilayers

Cubic, perovskite-structure ABO 3- and A 1–x A’ x BO 3 -type oxides have been investigated extensively while their hexagonal structure versions have not, even though they are multiferroic and can form heterostructures with hexagonal 2D materials. In particular, multiferroic 2D epilayers may lead to strong magnetoelectric coupling. Hexagonal RFeO 3 ferrites, where R is a rare-earth element (Lu, Yb, etc.), are excellent candidates, but their ferromagnetism isweak. In this paper, we employ density-functional-theory (DFT) calculations and first show that heavy electron doping of hexagonal LuFeO 3 (h-LFO), namely Lu 1–x Hf x FeO 3 (h-LHFO), leads to spin-disproportionation of the Fe sublattices and, especially for x = 1/2 and 2/3, to robust, room-temperature, out-of-plane, collinear ferrimagnetism that is stabilized by a Jahn-Teller metal-to-insulator transition. We then show that h-LHFO/h-2D heterostructures, where h-2D is the FE/ FM monolayer MnSTe, stabilize skyrmions without an external magnetic field and control their chirality by an external electric field through the h-LHFO polarization, opening up a new realm for magnetoelectric applications.

36 MATERIALS SCIENCE↗

Antiferromagnetic Ordering in Quasi-One-Dimensional FeBi 4 S 7

Here, we report a detailed study of the synthesis, composition, magnetic structure, and transport properties of a quasi-one-dimensional antiferromagnet FeBi 4 S 7 that contains chains of edge-sharing FeS 6 octahedra. High-resolution powder X-ray diffraction (PXRD) analysis, aided by variation of synthetic conditions, suggests that the true formula of the material is Fe 1.2 Bi 3.8 S 7 , due to the minor substitution of Fe into Bi sites. This finding is in agreement with crystal structure refinement from neutron powder diffraction data as well as with the small band gap of 0.23 eV determined from electrical transport measurements. Analysis of the neutron diffraction pattern collected below the antiferromagnetic ordering temperature of 64 K revealed ferromagnetic coupling between the Fe moments in the chains of FeS 6 octahedra. The overall ordering, however, is antiferromagnetic due to the antiparallel arrangement of moments on neighboring chains. The collinear spin arrangement is described by a k-vector (1, 0, 1/2), which indicates doubling of the unit cell in the c direction and the loss of the C-centering translation as compared to the nuclear cell. The ferromagnetic nature of the sulfide-bridged chains of Fe 2+ ions in FeBi 4 S 7 , in contrast to the antiferromagnetic coupling between Fe moments in compounds with similar structural fragments, can be justified by the analysis of metric parameters that characterize the Fe–S bonding in these materials.

36 MATERIALS SCIENCE↗

Particle Size-Dependent Zero-Field Exchange Bias in LaFeO {sub 3} Nanoparticles

The present communication deals with particle size-dependent zero-field cooled exchange effect in LaFeO{sub 3} (LFO). LFO nanoparticles were prepared by PVA-based sol-gel method. The sample was calcined at different temperatures (700, 750, and 800 {sup ∘}C) to tune the average particle size. The detailed crystal structural and their geometrical parameters were examined by means of Rietveld refinement using x-ray diffraction data. The different techniques such as Scherrer’s method, Williamson Hall method, FESEM, and TEM were applied to accurately determine the average particle size. Zero-field cooled exchange bias and weak ferromagnetism in antiferromagnetic nanoparticles was observed for all samples using hysteresis loop measurement. The training effect was studied to confirm that the loop shift originates due to exchange bias. Exchange bias as well as coercivity are strongly related to the particle size at low and room temperature. The results clearly demonstrate that the process of calcination tailor the overall properties of material which makes it a promising candidate for device applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Unusual Behavior of the Coercive Field in a (CoFeB){sub x}(LiNbO{sub y}){sub 100 –x} Nanocomposite with a High Content of Magnetic Ions in an Insulating Matrix

The temperature behavior of the coercive field H{sub c}(T) and the magnetic anisotropy in (CoFeB){sub x}(LiNbO{sub y}){sub 100 –x} nanocomposite films with a ferromagnetic alloy content x = 33–48 at % near the metal–insulator transition (x{sub c} ≈ 42 at %) have been studied by the magnetometry and ferromagnetic resonance methods. The films were ensembles of CoFe granules with lateral sizes of 2–4 nm, which are highly elongated (up to 10–15 nm) in the nanocomposite growth direction and embedded in a LiNbO{sub y} matrix with a high content of magnetic Fe{sup 2+} and Co{sup 2+} ions (up to 3 × 10{sup 22} cm{sup –3}). A nonmonotonic behavior of H{sub c}(T), viz., a sharp minimum at a temperature T{sub F} ≈ 50 K close to the blocking temperature (T{sub b}{sup ∗} ≈ 70 K) of the granule magnetic moment, has been detected in samples with x < 42 at %. The effective field of the perpendicular growth anisotropy (0.4–0.8 kOe) turns out to be an order of magnitude lower than the field of the granule shape anisotropy (about 7 kOe) and increases with x. The revealed peculiarities are explained by the fact that, apart from the ferromagnetic intergranular exchange interaction in an infinite cluster, the surface anisotropy effects involving magnetic ions in a thin layer adjacent to the cluster and responsible for the surface interaction fluctuations play a big role in the investigated percolation nanocomposites, enhancing the nanocomposite demagnetization at T ≈ T{sub F} ~ T{sub b}{sup ∗}.

36 MATERIALS SCIENCE↗

From classical thermodynamics to phase-field method

Phase-field method is a density-based computational method at the mesoscale for modeling and predicting the temporal microstructure and property evolution during materials processes. The focus of this article is on connecting the most common phase-field equations to the very basic first and second laws of classical thermodynamics through rudimentary irreversible thermodynamics. It briefly discusses the relations of the continuum phase-field equations to their counter parts at the microscopic and atomic levels. It attempts to clarify the contributions of long-range elastic, electrostatic, and magnetic interactions to domain structure evolution during structural, ferroelectric, and ferromagnetic phase transformations by separating order parameter changes due to the presence of quasi-static fields and those arising from phase transformations. A few examples are presented to demonstrate the possibility of employing the phase-field method to provide guidance to designing materials for optimum properties or discovering novel mesoscale phenomena or new materials functionalities. Here, the article ends with a brief perspective on a number of potential future directions on the development and applications of phase-field method beyond its traditional applications to structural alloys.

36 MATERIALS SCIENCE↗

Inverse spin Hall effect induced by spin pumping into semiconducting ZnO

The inverse spin Hall effect (ISHE) of n-type semiconductor ZnO thin films with weak spin-orbit coupling has been observed by utilizing the spin pumping method. In the ferromagnetic resonance condition, the spin pumping driven by the dynamical exchange interaction of a permalloy film injects a pure spin current into the adjacent ZnO layer. This spin current gives rise to a DC voltage through the ISHE in the ZnO layer, and the DC voltage is proportional to the microwave excitation power. The effect is sizeable even when the spin backflow is considered.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Stoichiometry determined exchange interactions in amorphous ternary transition metal oxides: Theory and experiment

Amorphous transition metal oxides exhibit exotic transport and magnetic properties, while the absence of periodic structure has long been a major obstacle for the understanding of their electronic structure and exchange interaction. In this paper, we have formulated a theoretical approach, which combines the melt-quench approach and the spin dynamic Monte-Carlo simulations, and based on it, we explored amorphous Co{sub 0.5}Zn{sub 0.5}O{sub 1−y} ternary transition metal oxides. Our theoretical results reveal that the microstructure, the magnetic properties, and the exchange interactions of Co{sub 0.5}Zn{sub 0.5}O{sub 1−y} are strongly determined by the oxygen stoichiometry. In the oxygen-deficient sample (y > 0), we have observed the long-range ferromagnetic spin ordering which is associated with the non-stoichiometric cobalt-rich region rather than metallic clusters. On the other hand, the microstructure of stoichiometric sample takes the form of continuous random networks, and no long-range ferromagnetism has been observed in it. Magnetization characterization of experimental synthesized Co{sub 0.61}Zn{sub 0.39}O{sub 1−y} films verifies the relation between the spin ordering and the oxygen stoichiometry. Furthermore, the temperature dependence of electrical transport shows a typical feature of semiconductors, in agreement with our theoretical results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Enhancement of magnetocaloric effect in the Gd 2 Al phase by Co alloying

We observe that Cu clusters grow on surface terraces of graphite as a result of physical vapor deposition in ultrahigh vacuum. We show that the observation is incompatible with a variety of models incorporating homogeneous nucleation and high level calculations of atomic-scale energetics. An alternative explanation, ion-mediated heterogeneous nucleation, is proposed and validated, both with theory and experiment. This serves as a case study in identifying when and whether the simple, common observation of metal clusters on carbon-rich surfaces can be interpreted in terms of homogeneous nucleation. We describe a general approach for making system-specific and laboratory-specific predictions.

36 MATERIALS SCIENCE↗