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At least 91 records · Page 5

Absence of long-range magnetic order in lithium-containing honeycombs in the Li–Cr–Sb(Te)–O phases

Li 3 ((LiCr)(Te/Sb))O 6 compounds where Cr atoms along with Li and Te or Sb are part of a honeycomb and are studied using magnetic susceptibility, specific heat, x-ray photoelectron spectroscopy and neutron diffraction. The oxides stoichiometries as determined from the neutron diffraction studies are Li 4.47 Cr 0.53 TeO 6 and Li 3.88 Cr 1.12 SbO 6 with a stable oxidation state of +3 for Cr. Both the compounds crystallize in space group C2/m with intermixing of cations at the 4g sites leaving the 2a sites preferentially for Te or Sb. Again, the Li + ions alone predominantly occur in the interlayer sites. Both the compounds show a broad anomaly in specific heat at 8 K, which is robust against 8 T. A corresponding anomaly is absent in the magnetic susceptibility but recovers from its derivative, dχ(T)/dT. Here, we ascertain the magnetic anomaly temperatures (T a ) of Li 4.47 Cr 0.53 TeO 6 and Li 3.88 Cr 1.12 SbO 6 as 5.9 K and 6.7 K respectively from specific heat. Although the physical properties indicated a low temperature anomaly, neutron diffraction data did not reveal a magnetic signal or a structural anomaly down to 1.5 K. This rules out a conventional long-range ordered magnetic ground state in either compounds. Combining the results from specific heat, neutron diffraction and electron paramagnetic resonance, we put forth a scenario of depleted honeycomb lattice of Cr 3+ with predominant short-range magnetic correlations as the magnetic ground states of the title compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Fungal drops: a novel approach for macro- and microscopic analyses of fungal mycelial growth

Abstract This study presents an inexpensive approach for the macro- and microscopic observation of fungal mycelial growth. The ‘fungal drops’ method allows to investigate the development of a mycelial network in filamentous microorganisms at the colony and hyphal scales. A heterogeneous environment is created by depositing 15–20 µl drops on a hydrophobic surface at a fixed distance. This system is akin to a two-dimensional (2D) soil-like structure in which aqueous-pockets are intermixed with air-filled pores. The fungus (spores or mycelia) is inoculated into one of the drops, from which hyphal growth and exploration take place. Hyphal structures are assessed at different scales using stereoscopic and microscopic imaging. The former allows to evaluate the local response of regions within the colony (modular behaviour), while the latter can be used for fractal dimension analyses to describe the hyphal network architecture. The method was tested with several species to underpin the transferability to multiple species. In addition, two sets of experiments were carried out to demonstrate its use in fungal biology. First, mycelial reorganization of Fusarium oxysporum was assessed as a response to patches containing different nutrient concentrations. Second, the effect of interactions with the soil bacterium Pseudomonas putida on habitat colonization by the same fungus was assessed. This method appeared as fast and accessible, allowed for a high level of replication, and complements more complex experimental platforms. Coupled with image analysis, the fungal drops method provides new insights into the study of fungal modularity both macroscopically and at a single-hypha level.

Buffi, Matteo↗

A High-Speed Rotational Diamond Anvil Cell for In Situ Analysis of Hierarchical Microstructural Evolution of Metallic Alloys during Extreme Shear Deformation

High speed shear deformation is ubiquitous in engineering applications, ranging from material processing methods such as friction stir processing/extrusion and in tribological contacts. However, analyzing the microstructural evolution of materials while they are undergoing high speed shear deformation have been a long-standing challenge. This led to predominant reliance on ex situ microscopy before and after shear deformation. But ex situ microscopy lacks the ability to analyze dynamic and transient hierarchical microstructural evolution mechanisms that could occur during shear deformation of materials. Therefore, to better understand the dynamic mechanisms of mass and energy transfer in materials under shear deformation, we developed a first of its kind high-speed rotational diamond anvil cell (HS-RDAC) for synchrotron-based in situ high-energy x-ray diffraction (XRD). We studied the time resolved lattice strain evolution, XRD peak broadening and changes in spatial variation of shear deformation induced alloying in pure metal and metal alloy sheets and powder mixture using the HS-RDAC. These in situ results were combined with detailed ex situ microstructural characterization before and after the shear deformation using transmission electron microscopy and atom probe tomography, which revealed the different stages of evolution of a shear deformation induced hierarchical nanostructure. Multiscale computational simulations including computational fluid dynamics, crystal plasticity, molecular dynamic simulation and density functional theory uncovered the mechanisms behind morphological changes, evolution of defect structures and changes in driving force for shear deformation induced intermixing. In conclusion, this in situ HS-RDAC capability, in combination with ex situ microstructural characterization and computational simulations, can provide new insights into the hierarchical microstructural evolution pathway during shear deformation.

36 MATERIALS SCIENCE↗

Interfacial alloying contributions to the magnetic proximity effect in Pt/dysprosium iron garnet

The magnetic proximity effect (MPE), a magnetic response from a heavy metal layer induced by an adjacent magnetic layer, plays an important role in the behavior of heavy-metal/ferro- or ferrimagnet thin film heterostructures. However, in the case of heavy-metal/rare earth iron garnet bilayers the presence and magnitude of the MPE has been debated. We previously reported an MPE in a Pt/dysprosium iron garnet (DyIG) heterostructure where the two layers were grown without breaking vacuum, finding that the magnetic moment present in the Pt layer scales with the magnitude of the DyIG moment and varies nonmonotonically through the DyIG compensation temperature. However, the origin of the magnetic signal from the Pt layer was not identified. In contrast, Pt/DyIG grown with a vacuum break did not exhibit an MPE. Here we investigate the origin of the magnetic moment in the Pt layer using x-ray absorption spectroscopy, x-ray circular dichroism, composition mapping and simulations of ion bombardment. In conclusion, the results are consistent with the presence of an intermixed Fe-Dy-Pt interfacial alloy layer formed during the growth of the Pt on the DyIG and resulting in a measurable MPE.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Oxygen vacancy induced electronic structure modification of KTaO 3

The observation of a metallic interface between band insulators LaAlO 3 and SrTiO 3 has led to massive efforts to understand the origin of the phenomenon as well as to search for other systems hosting such two-dimensional electron gases (2-DEGs). However, the understanding of the origin of the 2-DEG is very often hindered as several possible mechanisms such as polar catastrophe, cationic intermixing, and oxygen vacancy (OV) can be operative simultaneously. The presence of a heavy element makes the KTaO 3 (KTO) based 2-DEG a potential platform to investigate spin-orbit coupling driven novel electronic and magnetic phenomena. In this work, we investigate the sole effect of OV in KTO, which makes KTO metallic. O K-edge x-ray absorption spectroscopy measurements find that OV dopes electrons in Ta t * 2g antibonding states. Photoluminescence measurements reveal the existence of a highly localized deep midgap state in oxygen-deficient KTO. Our detailed ab initio calculations demonstrate that such deep midgap state arises due to the linear clustering of OVs around Ta. Finally, our present work emphasizes that we must pay attention to the possible presence of OVs in interpreting emergent behavior of KTO-based heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Local structure memory effects in the polar and nonpolar phases of MoTe 2

We use total scattering to study the reversible transition between the polar 1T' and nonpolar T d phases of layered MoTe 2 taking place at 240 K. Whereas, macroscopically, the transition appears to be first order, locally, it is not. In particular, a great deal of the stacking sequence of Te-Mo-Te layers characteristic of the polar 1T' phase persists locally in the nonpolar T d phase, and vice versa, over a broad temperature range extending about 100 K both below and above the transition. The intermixing ratio for the two sequences evolves gradually across the transition temperature, consistent with a second-order transition behavior. Here, the presence of coexisting local polar and nonpolar regions and the resulting variety of internal interfaces where the spatial inversion symmetry is broken may be behind some of the unusual electronic properties of T d –MoTe 2 , including its putative type-II Weyl semimetal state.

2-dimensional systems↗

First-principles modeling of conductivity at the (001), (110), and (111) SrTiO 3 /LaAlO 3 heterointerfaces

Here, the complex polar oxide heterojunction of SrTiO 3 /LaAlO 3 (STO/LAO) is of great interest due to the emergent physical phenomena observed at the interface. STO and LAO separately are wide band-gap insulators. However, upon joining them at the 001, 110, and 111 crystallographic planes, the interface undergoes a transition to a conductive state. Although first-principles modeling of the 001 plane interface has been widely studied, there is a lack of reports regarding the 110 and 111. This paper expands the theoretical model of the STO/LAO heterointerface to the three crystallographic planes (001, 110, and 111) where the conductivity has been experimentally reported. The calculations showed that whereas at the 001 interface the conductivity appears at a critical thickness of 4 monolayers of LAO, the 110 and 111 planes have no clear critical thickness; these two interfaces were always conductive. Nevertheless, the number of conductive electrons per unit cell increases with the thickness of the LAO layer in the 110 and 111 interfaces. This is related to the energy levels downshifting due to the electrostatic potential buildup (which was in the opposite direction respect to the 001 interface), increasing the number of conductive sates below the Fermi level. Given the absence of a critical thickness and the fact that chemical intermixing and oxygen vacancies at the interface were not considered, the main mechanism responsible for the conductivity in the 110 and 111 planes was attributed to the large structure reconstruction that locally changes the energy levels at the interface causing charge transfer and accumulation at the layers close to the interface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Origin of insulating and nonferromagnetic SrRuO 3 monolayers

The electro-magnetic properties of ultrathin epitaxial ruthenate films have long been the subject of debate. Here we combine experimental with theoretical investigations of (SrTiO 3 ) 5 -(SrRuO 3 ) n -(SrTiO 3 ) 5 (STO 5 -SRO n -STO 5 ) heterostructures with n = 1 and 2 unit cells, including extensive atomic-resolution scanning-transmission-electron-microscopy imaging, electron-energy-loss-spectroscopy chemical mapping, as well as transport and magneto-transport measurements. The experimental data demonstrate that the STO 5 -SRO 2 -STO 5 heterostructure is nearly stoichiometric, metallic, and ferromagnetic with T C ~ 128 K, even though it lacks the characteristic bulk-SRO octahedral tilts and matches the cubic STO structure. In contrast, the STO 5 -SRO 1 -STO 5 heterostructure features Ru-Ti intermixing in the RuO 2 layer, also without octahedral tilts, but is accompanied by a loss of metallicity and ferromagnetism. Density-functional-theory calculations show that stoichiometric n = 1 and n = 2 heterostructures are metallic and ferromagnetic with no octahedral tilts, while non-stoichiometry in the Ru sublattice in the n = 1 case opens an energy gap and induces antiferromagnetic ordering. Furthermore, the results indicate that the observed non-stoichiometry is the cause of the observed loss of metallicity and ferromagnetism in the n = 1 case.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structure and dynamics of $\mathrm{Fe_{90}}$$\mathrm{Si_3}$$\mathrm{O_7}$ liquids close to Earth's liquid core conditions

Using an artificial neural-network machine learning interatomic potential, we have performed molecular dynamics simulations to study the structure and dynamics of $\mathrm{Fe_{90}}$$\mathrm{Si_3}$$\mathrm{O_7}$ liquid close to the Earth's liquid core conditions. Here, the simulation results reveal that the short-range structural order (SRO) in the $\mathrm{Fe_{90}}$$\mathrm{Si_3}$$\mathrm{O_7}$ liquid is very strong. About 80% of the atoms are arranged in crystallinelike SRO motifs. In particular, ~ $70$% of Fe-centered clusters can be classified as either hexagonal-close-packed-like or icosahedrallike SRO motifs. The SRO clusters centered on Fe, Si, or O atoms are strongly intermixed and homogenously distributed throughout the liquid. The atomic structure of the liquid and the fractions of dominant SRO clusters are not sensitive to pressure/temperature used in the simulations except that the SRO of the O-centered clusters is enhanced close to inner core pressures. The O-diffusion coefficient is about two to three times larger than the Fe and Si ions and increases more rapidly in the deeper core regions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Stacking disorder in α – RuCl 3 investigated via x-ray three-dimensional difference pair distribution function analysis

The van der Waals layered magnet α-RuCl 3 offers tantalizing prospects for the realization of Majorana quasiparticles. Efforts to understand this are, however, hampered by inconsistent magnetic and thermal transport properties likely coming from the formation of structural disorder during crystal growth, postgrowth processing, or upon cooling through the first order structural transition. Here, we investigate structural disorder in α-RuCl 3 using x-ray diffuse scattering and three-dimensional difference pair distribution function (3D-ΔPDF) analysis. We develop a quantitative model that describes disorder in α-RuCl 3 in terms of rotational twinning and intermixing of the high and low-temperature structural layer stacking. As a result, this disorder may be important to consider when investigating the detailed magnetic and electronic properties of this widely studied material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ultrathin epitaxial MgB 2 on SiC: Substrate surface-polarity-dependent properties

High-quality, ultrathin superconducting films are required for advanced devices such as hot-electron bolometers, superconducting nanowire single-photon detectors, and quantum applications. Using hybrid physical-chemical vapor deposition, we show that MgB 2 films as thin as 4 nm can be fabricated on the carbon-terminated 6⁢H-SiC (0001) surface with a superconducting transition temperature above 33 K and a rms roughness of 0.7 nm. Remarkably, the film quality is a function of the SiC surface termination, with the C-terminated surface preferred to the Si-terminated surface. To understand the MgB 2 thin film/SiC substrate interactions giving rise to this difference, we characterized the interfacial structures using Rutherford backscattering spectroscopy/channeling, electron-energy-loss spectroscopy, and x-ray photoemission spectroscopy. The MgB 2 /SiC interface structure is complex and different for the two terminations. Both terminations incorporate substantial unintentional oxide layers influencing MgB 2 growth and morphology, but with a different extent, intermixing, and interface chemistry. In this paper, we report measurements of transport, resistivity, and the critical superconducting temperature of MgB 2 /SiC that are different for the two terminations, and they link interfacial structure variations to observed differences. The result shows that the C face of SiC is a preferred substrate for the deposition of ultrathin superconducting MgB 2 films.

36 MATERIALS SCIENCE↗

Antiferromagnetic Fe Te 2 1 T - phase formation at the Sb 2 Te 3 / Ni 80 Fe 20 interface

Bilayer topological insulator/ferromagnet (TI/FM) heterostructures are promising for spintronic applications due to their low switching energy and therefore power efficiency. Until recently, the reactivity of TI with FM films was overlooked in the spin orbit-torque literature, even though there are reports that it is energetically favorable for TIs to react with transition metals and form interfacial layers. Here, in this study we fabricated a TI/FM heterostructure comprised of molecular beam epitaxy grown Sb 2 Te 3 and DC sputtered Ni 80 Fe 20 . Broadband ferromagnetic resonance revealed spin-pumping evident by the significant enhancement in Gilbert damping, which is likely a signature of the topological surface states or the presence of large spin-orbit-coupling in the adjacent Sb 2 Te 3 . With low-temperature magnetometry, an exchange bias is observed which indicates an exchange interaction between an antiferromagnet (AFM) and an adjacent FM. Cross-section high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) characterization of the Sb 2 Te 3 - Ni 80 Fe 20 bilayer revealed a complex interface showing diffusion of Fe and Ni into the Sb 2 Te 3 film yielding the formation of a FeTe 2 1T-type structural phase. Furthermore, density functional theory calculations revealed that the FeTe 2 1T-phase has an AFM ground state. Due to experimental limitations in the electron energy loss spectroscopy measurements precise chemistry of the interfacial phase could not be determined, therefore it is possible that the FeTe 2 1T and/or an intermixed (Fe 1-x Ni x )Te 2 1T is the AFM interfacial phase contributing to exchange bias in the system. This work emphasizes the chemical complexity of TI/FM interfaces that host novel, metastable magnetic topological phases and require more in-depth studies of other similar interfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Role of structural defects in mediating disordering processes at irradiated epitaxial Fe 3 O 4 / Cr 2 O 3 interfaces

Disordering processes in oxide materials are complicated by the presence of interfaces, which can serve as either point defect sinks or accumulation sites; the response depends on factors such as interfacial structure, chemistry, and termination. Here, we have characterized the disordering of epitaxial Fe 3 O 4 (111) / Cr 2 O 3 (0001) thin film heterostructures after 400 keV Ar 2+ radiation at room temperature. The density of misfit dislocations in both the Fe 3 O 4 overlayer and Cr 2 O 3 buffer layer is varied by changing the thickness of Cr 2 O 3 to be pseudomorphically strained to the Al 2 O 3 (0001) substrate (5 nm thick) or partially relaxed (20 nm thick), as confirmed by Bragg filtering analysis of scanning transmission electron microscopy images. In both cases, irradiation leads to damage accumulation on the Fe 3 O 4 side of the heterointerface, as shown by Rutherford backscattering spectrometry measurements in the channeling geometry. However, the interface with more misfit dislocations exhibits disordering at a faster rate than the less-defective interface. Likewise, layer-resolved electron energy loss spectroscopy reveals interfacial reduction of Fe after irradiation at the more defective interface. Intermixing of Cr across the interface is observed by atom probe tomography, which is likely facilitated by the generation of Cr interstitials in Cr 2 O 3 under irradiation.

36 MATERIALS SCIENCE↗

Interfacial magnetic characteristics of nearly compensated gadolinium iron garnet

Reports on spin Hall magnetoresistance, magnonic spin currents from thermal gradients, and spin transfertorque magnetic random-access memory using compensated ferrimagnets largely discuss bulk magnetization but lack consideration of depth profiles or interfacial characteristics. Here, magnetic and structural characterization of profiles and interfaces was performed for nearly compensated gadolinium iron garnet (GdIG) thin films. X-ray diffraction and reciprocal space maps show that sputter deposited GdIG on Si is polycrystalline with the desired cubic garnet phase, and GdIG on gadolinium gallium garnet (GGG) is epitaxial with <0.06% compressive strain. Temperature-dependent magnetometry confirms the compensation temperatures of GGG/GdIG and Si/GdIG to be 285 and 260 K, respectively, both near room temperature. Interestingly, these measurements suggest the presence of unsaturated rare-earth moments, which result in a characteristic hysteresis between heating and cooling sequences in the magnetization-temperature curves at zero field. Depth-profile measurements from polarized neutron reflectometry (PNR) indicate up to 91% volume fraction in GdIG on Si. At the interface, PNR reveals a region containing magnetized Fe-doped GGG, a low-density GdIG at the GGG/GdIG interface, and a thin magnetically dead layer at the Si/GdIG interface. Cross-sectional transmission electron microscopy and energy dispersive x-ray spectroscopy confirm the assessment of PNR. In conclusion, the magnetic characteristics of interfacial regions are attributed to intermixing of Fe-Ga at the GGG/GdIG interface and the presence of amorphous Fe-Si at the Si/GdIG interface.

36 MATERIALS SCIENCE↗

Structural phase diagram for Sm-substituted BiFeO 3 multiferroics

The structural evolution of Sm substituted BiFe⁢O 3 is studied by total x-ray scattering and structure modeling. It is shown that the crystal structure changes from polar to antipolar and then to nonpolar when the Sm to Bi ratio in the material approaches 20% and 40%, respectively, with no intermixing between the structure types. The evolution is driven by lattice strain induced by the difference in the size of Sm and Bi atoms, leading to changes in the pattern of octahedral tilts and Bi off-centering, which, in turn, induce changes in the multiferroic properties. Furthermore, the substitution ratio at which the different structure types emerge appears to be tied up with the average radius of the atomic species occupying the Bi sites in the perovskite lattice and volume occupied by a formula unit, rendering both quantities useful predictor variables for guiding computational searches for substituted BiFe⁢O 3 multiferroics with improved functional properties.

Ferroelectricity↗

Effect of Air Plasma Sprayed Flash Bond Coatings on Furnace Cycle Lifetime of Disks and Rods

Air plasma sprayed (APS) flash coatings on high velocity oxygen fuel (HVOF) bond coatings are well known to extend the lifetime of thermal barrier coatings (TBCs). Recent work compared flash coatings of NiCoCrAlY and NiCoCrAlYHfSi applied to both rods and disk substrates of alloy 247. For rod specimens, 100 h cycles were used at 1100 °C in wet air. Both flash coatings significantly improved the lifetime compared to HVOF-only and vacuum plasma spray (VPS)-only MCrAlY bond coatings with no statistical difference between the two flash coatings. For disk specimens tested in 1 h cycles at 1100 °C in wet air, the NiCoCrAlY flash coating significantly outperformed an HVOF-only NiCoCrAlYHfSi bond coating and a NiCoCrAlYHfSi flash coating. The flash coatings formed a mixed oxide-metal zone that appeared to inhibit crack formation and therefore extend lifetime. In addition to the flash coating increasing the bond coating roughness, the underlying HVOF layer acted as a source of Al for this intermixed zone and prevented the oxide from penetrating deeper into the bond coating. Here, the lower Y+Hf content in the Y-only flash coating appeared to minimize oxidation in the flash layer, thereby increasing the benefit compared to a NiCoCrAlYHfSi flash coating.

42 ENGINEERING↗

Heterovalent semiconductor structures and devices grown by molecular beam epitaxy

Heterovalent structures consisting of group II-VI/group III-V compound semiconductors offer attractive properties, such as a very broad range of bandgaps, large conduction band offsets, high electron and hole mobilities, and quantum-material properties such as electric-field-induced topological insulator states. These properties and characteristics are highly desirable for many electronic and optoelectronic devices as well as potential condensed-matter quantum-physics applications. Here, we provide an overview of our recent studies of the MBE growth and characterization of zincblende II-VI/III-V heterostructures as well as several novel device applications based on different sets of these materials. By combining materials with small lattice mismatch, such as ZnTe/GaSb (Δa/a~0.13%), CdTe/InSb (Δa/a~0.05%), and ZnSe/GaAs (Δa/a~0.26%), epitaxial films of excellent crystallinity were grown once the growth conditions had been optimized. Cross-sectional observations using conventional and atomic-resolution electron microscopy revealed coherent interfaces and close to defect-free heterostructures. Measurements across CdTe/InSb interfaces indicated a limited amount (~1.5 nm) of chemical intermixing. Results for ZnTe/GaSb distributed Bragg reflectors, CdTe/Mg x Cd 1-x Te double heterostructures, and CdTe/InSb two-color photodetectors are briefly presented, and the growth of a rock salt/zincblende PbTe/CdTe/InSb heterostructure is also described.

Materials Science↗

Temperature-induced degradation of GaN HEMT: An in situ heating study

High-power electronics, such as GaN high electron mobility transistors (HEMTs), are expected to perform reliably in high-temperature conditions. This study aims to gain an understanding of the microscopic origin of both material and device vulnerabilities to high temperatures by real-time monitoring of the onset of structural degradation under varying temperature conditions. This is achieved by operating GaN HEMT devices in situ inside a transmission electron microscope (TEM). Electron-transparent specimens are prepared from a bulk device and heated up to 800 °C. High-resolution TEM (HRTEM), scanning TEM (STEM), energy-dispersive x-ray spectroscopy (EDS), and geometric phase analysis (GPA) are performed to evaluate crystal quality, material diffusion, and strain propagation in the sample before and after heating. Gate contact area reduction is visible from 470 °C accompanied by Ni/Au intermixing near the gate/AlGaN interface. Elevated temperatures induce significant out-of-plane lattice expansion at the SiNx/GaN/AlGaN interface, as revealed by geometry-phase GPA strain maps, while in-plane strains remain relatively consistent. Exposure to temperatures exceeding 500 °C leads to almost two orders of magnitude increase in leakage current in bulk devices in this study, which complements the results from our TEM experiment. The findings of this study offer real-time visual insights into identifying the initial location of degradation and highlight the impact of temperature on the bulk device’s structure, electrical properties, and material degradation.

36 MATERIALS SCIENCE↗