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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

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↗
NASA NTRS2019

Assessment of the Biomass Productivity Decline in the Lower Mekong Basin

This study aimed to delineate the geographic hotspots of negative trends in biomass productivity in the Lower Mekong Basin countries (Vietnam, Cambodia, Laos, and Thailand) and identify correlated regional environmental and anthropogenic factors. A long-term time-series (1982–2015) of Normalized Difference Vegetation Index at a resolution of approximately 9.16 km x 9.16 km was used to specify the areas with significant decline or increase in productivity. The relationships between vegetation changes and land attributes, such as climate, population density, soil/terrain conditions, and land-cover types, were examined. Rainfall time-series maps were used to identify areas that might have been affected by land degradation from those correlated with rainfall. Most of the detected potentially degraded areas were found in Cambodia, the Northwest and the Highland of Vietnam, the Northern Mountains of Thailand and Laos, and the mountainous border between Laos, Vietnam, and Cambodia. About 15% of the total land area of these four countries experienced a reduction in biomass productivity during the 34-year study period. The map of hotspots of changes in productivity can be used to direct further studies, including those at finer spatial resolution that may support policy makers and researchers in targeting the strategies for combating land degradation.

land degradation↗
DOE OSTI2022

Strain- and thickness-dependent magnetic properties of epitaxial La 0.67 Sr 0.33 CoO 3 /La 0.67 Sr 0.33 MnO 3 bilayers

Magnetic properties and interfacial phenomena of epitaxial perovskite oxides depend sensitively on parameters such as film thickness and strain state. In this work, epitaxial La0 .67 Sr 0.33 CoO 3 (LSCO)/La 0.67 Sr 0.33 MnO 3 (LSMO) bilayers were grown on NdGaO 3 (NGO) and LaAlO 3 (LAO) substrates with a fixed LSMO thickness of 6 nm, and LSCO thickness (t LSCO ) varying from 2 to 10 nm. Soft x-ray magnetic spectroscopy revealed that magnetically active Co 2+ ions that strongly coupled to the LSMO layer were observed below a critical t LSCO for bilayers grown on both substrates. On LAO substrates, this critical thickness was 2 nm, above which the formation of Co 2+ ions was quickly suppressed leaving only a soft LSCO layer with mixed valence Co 3+ /Co 4+ ions. The magnetic properties of both LSCO and LSMO layers displayed strong t LSCO dependence. This critical t LSCO increased to 4 nm on NGO substrates, and the magnetic properties of only the LSCO layer displayed t LSCO dependence. A non-magnetic layer characterized by Co 3+ ions and with a thickness below 2 nm exists at the LSCO/substrate interface for both substrates. Therefore, the results contribute to the understanding of interfacial exchange spring behavior needed for applications in next generation spintronic and magnetic memory devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nanoscale control of LaAlO 3 /SrTiO 3 conductance beyond the polar catastrophe

Conductive atomic force microscope (c-AFM) lithography can be utilized to create a wide range of LaAlO 3 /SrTiO 3 (LAO/STO)-based nanoelectronic devices in a reconfigurable manner. Experiments were generally performed with intrinsically insulating LAO/STO heterostructures, with LAO thickness less than the critical value at which a polar catastrophe takes place [<4 unit cell (u.c.)]. Here, we use inductively coupled plasma reactive ion etching (ICPRIE) to fabricate c-AFM “canvases” on intrinsically conducting LAO/STO samples with ≥4 u.c. LAO. We observe that its interfacial two-dimensional electron gas (2DEG) can be pinched off and then switched back on by c-AFM lithography. Nanowires created with initially conductive LAO/STO interfaces have an order-of-magnitude longer lifetime in ambient conditions, when compared to an identically created 3.4 u.c. LAO/STO nanowire. We also demonstrate key nanoscale properties such as ballistic transport in a quasi-one-dimensional electron waveguide at a 5 u.c. LAO/STO interface. This approach frees c-AFM-written nanodevice designs from time constraints in air associated with <4 u.c. LAO/STO heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Understanding the transient large amplitude oscillatory shear behavior of yield stress fluids

A full understanding of the sequence of processes exhibited by yield stress fluids under large amplitude oscillatory shearing is developed using multiple experimental and analytical approaches. A novel component rate Lissajous curve, where the rates at which strain is acquired unrecoverably and recoverably are plotted against each other, is introduced and its utility is demonstrated by application to the analytical responses of four simple viscoelastic models. Using the component rate space, yielding and unyielding are identified by changes in the way strain is acquired, from recoverably to unrecoverably and back again. The behaviors are investigated by comparing the experimental results with predictions from the elastic Bingham model that is constructed using the Oldroyd–Prager formalism and the recently proposed continuous model by Kamani, Donley, and Rogers in which yielding is enhanced by rapid acquisition of elastic strain. The physical interpretation gained from the transient large amplitude oscillatory shear (LAOS) data is compared to the results from the analytical sequence of physical processes framework and a novel time-resolved Pipkin space. The component rate figures, therefore, provide an independent test of the interpretations of the sequence of physical processes analysis that can also be applied to other LAOS analysis frameworks. Each of these methods, the component rates, the sequence of physical processes analysis, and the time-resolved Pipkin diagrams, unambigiously identifies the same material physics, showing that yield stress fluids go through a sequence of physical processes that includes elastic deformation, gradual yielding, plastic flow, and gradual unyielding.

Kamani, Krutarth M. (ORCID:0000000338975420)↗
NASA NTRS2024

Land Cover Change Analysis and Spatial Variations in Southeast Asian Nations: Insights on Spatial Scale Dynamics

Land cover type is a fundamental aspect of studies using remote sensing for environmental analysis such as monitoring deforestation, quantifying wildland fire emissions, and more. There are many land cover products available for varying time periods and spatial resolutions, each with different land cover class definitions and number of land cover classes. These differences yield inherent variation in land cover estimates. In this study, we explore the spatial and areal variation between two major datasets for their commonly available time of 2018 to 2022 (MODIS 500m Land Cover and Esri Sentinel-2 10m land cover) in the continental Southeast Asia countries of Cambodia, Laos, Myanmar, Thailand, and Vietnam. To enable comparison, we resampled the datasets and reclassified the land cover classes to a common scheme. Major disagreement was detected between Esri and MODIS, especially for the wetlands/flooded vegetation class in which only 3.6% of pixels were in agreement. In addition to quantifying variation between the datasets, we quantify land cover change at the decadal scale of 2001, 2011, and 2021 for each country and identified province-level hotspots of land cover change. Cambodia experienced the highest rate of land cover change with 67.8% of total land area changed, followed by Vietnam (58.6%), Laos (50.2%), Myanmar (46.9%), and Thailand (46.3%). The highest rate of land cover change was detected in Odtar Mean Chey, Cambodia, which had large swaths of forest area cleared for agricultural production, river damming, and more. Ultimately, many areas in the region experienced forest clearing for crop production (i.e. rice) which appeared to be classified as wetland in the MODIS product, and crop in the Esri product. Myanmar was the only country which did not experience net decline in forest area over the 2001 to 2021 time period.

Land Cover Change↗
DOE OSTI2024

Influence of Joule Heating on the Stability of High Temperature Irradiation Resistant Thermocouples

Development of in-core instrumentation is driven by the pursuit of safer and more economic energy production from both existing nuclear reactors and Generation IV reactor designs. Idaho National Laboratory (INL) has developed high temperature irradiation resistant thermocouples (HTIR-TCs) for temperature sensing inside Generation IV nuclear reactors. These thermocouples are composed of phosphorus-doped niobium (Nb-P) and lanthana-doped molybdenum (Mo-LaO) thermoelements, an alumina (Al2O3) insulation, and a niobium sheath. HTIR-TCs require an initial heat treatment exceeding the maximum service temperature to stabilize the generated electromotive force (EMF) signal; however, the mechanism behind this stabilization is not well understood. This work evaluates the impact of Joule heating on the thermoelements' microstructures, chemical stability, and mechanical properties to determine the mechanisms by which the EMF signal stabilization occurs. Accordingly, during the Joule heat treatment, a secondary Nb3P phase coarsened along the length of the Nb-P thermoelement, along with the formation of an interaction region at the Al2O3/niobium interface. The interaction between the alumina insulation and the Nb-P thermoelement was also observed within the Mo-LaO thermoelement. Joule heating induced stability within the generated EMF signal of HTIR-TCs through the formation of secondary phases within the Nb-P and the interaction of the alumina insulation with the thermoelements.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2024

Influence of Joule Heating on the Stability of High Temperature Irradiation-resistant Thermocouples

Development of in-core instrumentation is driven by the pursuit of safer, more economic energy production from the perspective of both existing nuclear reactors and Generation IV reactor designs. Idaho National Laboratory has developed high-temperature irradiation-resistant thermocouples (HTIR-TCs) for temperature sensing inside Generation IV nuclear reactors. These thermocouples are composed of phosphorus-doped niobium (Nb-P) and lanthana-doped molybdenum (Mo-LaO) thermoelements, an alumina (Al2O3) insulation, and a niobium sheath. HTIR-TCs require an initial heat treatment exceeding the maximum service temperature to stabilize the generated electromotive force (EMF) signal. The mechanism behind the stabilization of the HTIR-TCs through traditional heat treatment methods is understood; however, the traditional heat treatment method is expensive, time consuming, and results in a heterogeneous microstructure. Therefore, we investigated a rapid method for stabilization and microstructure homogeneity, through Joule heating. This work evaluates the impact of Joule heating on the thermoelements’ microstructures, chemical stability, and mechanical properties so as to determine the mechanisms by which stabilization of the EMF signal occurs. Accordingly, during the Joule heat treatment, a secondary Nb3P phase coarsened along the length of the Nb-P thermoelement, along with the formation of an interaction region at the Al2O3/niobium interface. The interaction between the alumina insulation and the Nb-P thermoelement was also observed within the Mo-LaO thermoelement. Joule heating induced stability within the generated HTIR-TC EMF signal via the formation of secondary phases within the Nb-P and the interaction between the alumina insulation and the thermoelements.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2023

The Grassmann interpolation method for spin-unrestricted open-shell systems

The recently reported Grassmann interpolation (G-Int) method [J. A. Tan and K. U. Lao, J. Chem. Phys. 158, 051101 (2023)] has been extended to spin-unrestricted open-shell systems. In contrast to closed-shell systems, where G-Int has to be performed only once since the α and β density matrices are the same, spin-unrestricted open-shell systems require G-Int to be performed twice—one for the α spin and another for the β spin density matrix. In this work, we tested the performance of G-Int to the carbon monoxide radical cation CO●+ and nickelocene complex, which have the doublet and triple ground states, respectively. We found that the Frobenius norm errors associated with the interpolations for the α and β spin density matrices are comparable for a given molecular geometry. These G-Int density matrices, when used as an initial guess for a self-consistent field (SCF) calculation, outperform the conventional SCF guess schemes, such as the superposition of atomic densities, purified superposition of atomic densities, core Hamiltonian, and generalized Wolfsberg–Helmholtz approximation. Depending on the desired accuracy, these G-Int density matrices can be used to directly evaluate the SCF energy without performing SCF iterations. In addition, the spin-unrestricted G-Int density matrices have been used for the first time to directly calculate the atomic charges using the Mulliken and ChElPG population analysis.

Chemistry↗
DOE OSTI2023

An accurate and efficient fragmentation approach via the generalized many-body expansion for density matrices

With relevant chemical space growing larger and larger by the day, the ability to extend computational tractability over that larger space is of paramount importance in virtually all fields of science. The solution we aim to provide here for this issue is in the form of the generalized many-body expansion for building density matrices (GMBE-DM) based on the set-theoretical derivation with overlapping fragments, through which the energy can be obtained by a single Fock build. In combination with the purification scheme and the truncation at the one-body level, the DM-based GMBE(1)-DM-P approach shows both highly accurate absolute and relative energies for medium-to-large size water clusters with about an order of magnitude better than the corresponding energy-based GMBE(1) scheme. Simultaneously, GMBE(1)-DM-P is about an order of magnitude faster than the previously proposed MBE-DM scheme [F. Ballesteros and K. U. Lao, J. Chem. Theory Comput. 18, 179 (2022)] and is even faster than a supersystem calculation without significant parallelization to rescue the fragmentation method. For even more challenging systems including ion–water and ion–pair clusters, GMBE(1)-DM-P also performs about 3 and 30 times better than the energy-based GMBE(1) approach, respectively. In addition, this work provides the first overlapping fragmentation algorithm with a robust and effective binning scheme implemented internally in a popular quantum chemistry software package. Thus, GMBE(1)-DM-P opens a new door to accurately and efficiently describe noncovalent clusters using quantum mechanics.

Chemistry↗
DOE OSTI2026

Reducing the Strain Required for Ambient‐Pressure Superconductivity in Ruddlesden‐Popper Bilayer Nickelates

ABSTRACT The discovery of high‐temperature superconductivity in pressurized bulk Ruddlesden‐Popper (RP) bilayer nickelates has prompted the conjecture that epitaxial compressive strain might mimic essential aspects of hydrostatic pressure. The realization of superconductivity in films on SrLaAlO 4 (001) (SLAO) supports this correspondence, yet it remains unclear whether the pressure–temperature phase diagram of RP bilayer nickelates can be systematically mapped (and studied at ambient pressure) as a function of epitaxial strain. To this end, experimental access near the elusive edge of the superconducting phase boundary would provide invaluable insight into the nature of the superconducting state and the ground state from which it emerges. Here we report superconducting RP bilayer nickelates grown on LaAlO 3 (001) (LAO), where the compressive strain required for ambient‐pressure superconductivity is nearly halved to −1.2%. These films exhibit a superconducting onset above 10 K and reach zero resistance at 3 K, with normal‐state transport properties differing from those of films grown on SLAO. Our comparative study shows that strain–rather than interfacial structure is the primary factor governing the superconductivity and normal‐state properties. This work offers a new opportunity to probe emergent phenomena near the superconducting phase boundary in the strain–temperature phase diagram of RP bilayer nickelates.

Tarn, Yaoju [Department of Applied Physics Stanfor↗
DOE OSTI2022

Electron doping of NdNiO 3 thin films using dual chamber CaH 2 annealing

Hydrogen donor doping has been exploited as a strategy to manipulate the electronic structure and electrical properties of functional oxide systems. Especially, the development of synthetic methods to achieve electron doping of perovskite rare-earth nickelate thin films utilizing interstitial hydrogen is highly desirable considering the rich electronic phase diagram hosting several functional properties. Here, in this work, we present the hydrogenation of NdNiO 3 (NNO) thin films using CaH 2 annealing and the resulting giant modulation of electrical resistivity in hydrogenated NNO (H–NNO) thin films. Magnetron sputtering was employed to deposit epitaxial ~60 nm-thin NNO films on single crystal LaAlO 3 (LAO) substrates. The formation of the pristine perovskite NNO phase was realized after annealing the films at 500 °C for 24 h. CaH 2 annealing of NNO thin films for time durations ranging from 1 to 6 h was performed in a vacuumed ampule with two interconnected chambers at 280 °C. The two-chamber design enables a simple and clean approach for hydrogen doping without physical contact between the powder and sample of interest. X-ray diffraction and Raman spectroscopy revealed the formation of NNO in pristine samples, and the subsequent hydrogen incorporation upon CaH 2 annealing without forming any impurity phases. The conversion of the oxidation state of Ni towards +2 upon CaH 2 annealing was probed using X-ray photoelectron spectroscopy and X-ray absorption spectroscopy. Consequently, a substantial increase in the room-temperature resistivity was observed upon CaH 2 annealing indicating the formation of a strongly correlated electronic configuration of Ni in H–NNO due to electron doping. Overall, the findings of this study highlight the versatility of CaH 2 annealing as an electron doping method to tune the electrical properties of correlated oxides at low temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

On the Development of Order and Interfaces during the Growth of Ultrathin La 2 CuO 4 Films by Molecular Beam Epitaxy

While the atomic structure of interfaces in complex oxide heterostructures created by epitaxial growth has been investigated extensively, few studies have been conducted on how interfaces form and restructure at the initial stage of film growth. The dynamic aspects of the growth behavior can strongly influence the final interfacial atomic structure, which may lead to the emergence of interface-specific properties, such as the rise of interfacial superconductivity between certain Ruddlesden-Popper oxide materials. In this report, the structural development of La2CuO 4 thin films grown by molecular beam epitaxy on a LaSrAlO 4 substrate is investigated by X-ray diffraction measurements with rapid scans over a volume of reciprocal space. This method provides far more detailed information on interface formation than traditional fixed-point measurements. The results show that the atomic structure of the interface becomes fully established after just a single unit cell of growth. Interestingly, restructuring continues to occur within the topmost half to one unit cell of the film during the deposition process. However, diffraction intensity oscillations from both reflection high-energy electron and X-ray measurements stabilize only after the growth of two unit cells, indicating that the growth front morphology continues to evolve until the start of the third unit cell. This multimodal investigation provides insights into the atomic processes taking place during layered oxide interface formation, including the dynamical rearrangement of LaO and CuO 2 layers. Such information is not only relevant to the engineering and optimization of functional layer structures but can also be critical for ultrathin films.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Dynamic Tracking of NiFe Smart Catalysts using In Situ X-Ray Absorption Spectroscopy for the Dry Methane Reforming Reaction

The exsolution of nanoparticles from perovskite precursors has been explored as a route to synthesize catalysts with sinter or coke resistance. The characteristics of these exsolved nanoparticles are highly dynamic depending on the redox nature of the environment to which they are subjected. To develop their properties for thermo- and electrocatalytic applications, it is necessary to track the states and behavior of exsolved catalysts with in situ and ex situ characterization. In this study, we conduct in situ X-ray absorption spectroscopy (XAS) along with ex situ scanning transmission electron microscopy high-angle annular dark-field (STEM-HAADF) and energy-dispersive X-ray spectroscopy analysis of the parent perovskite oxide precursor, LaFe 0.8 Ni 0.2 O 3 , as its structure forms bimetallic NiFe nanoparticles and evolves in oxidative, reductive, and dry methane reforming environments. We develop a theory that NiFe exsolution is a function of the reduction potential where LaFe 0.8 Ni 0.2 O 3 transforms to NiFe alloy supported on LaO x -LaFeO x . The Ni starts to exsolve at 268 °C, while most Fe exsolves at 700 °C. During dry methane reforming conditions, most of the Fe is oxidized by CO 2 during the reaction and re-enters the perovskite as LaFeO 3 , while Ni remains on the surface as nanoparticles in the metallic state. During the oxidative regeneration phase, most of the Fe re-enters the bulk perovskite phase, while Ni is partially regenerated with a small percentage oxidized to large NiO nanoparticles. Finally, this study sheds light on the exsolution and regeneration of bimetallic alloy nanoparticles and the influence of the reaction conditions on their catalyst performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Surface Terminations of LaAlO 3 Perovskite Nanoparticles as Viewed by Solid-State Nuclear Magnetic Resonance

Nanocrystal surfaces generally undergo reconstructions that differentiate them from the bulk structures, often in nontrivial ways. Understanding these terminations is critical across diverse fields, from heterogeneous catalysis to the formation of topological states and the synthesis of semiconductor nanomaterials. Determining surface structures is currently an interdisciplinary task, most often involving high-resolution electron microscopy and surface electron diffraction. These methods, however, do not provide a global view of the ensemble of structures present in a sample. Here, we show how surface-sensitive solid-state nuclear magnetic resonance (SSNMR) spectroscopy methods can bridge this gap. In this context, we investigated the surface structure of lanthanum aluminate (LaAlO 3 ) perovskite nanoparticles. Four distinct surface terminations have previously been observed for this material, but their relative abundances were unknown. Using an array of double- and triple-resonance SSNMR methods probing the relative proximities of surface 1 H, 27 Al, 17 O, and 139 La nuclei, we conclude the surface to be majority terminated (80%) by AlO x with substantial (20%) LaO x terminated regions.

Materials↗
DOE OSTI2022

Variance-aware weight quantization of multi-level resistive switching devices based on Pt/LaAlO3/SrTiO3 heterostructures

Abstract Resistive switching devices have been regarded as a promising candidate of multi-bit memristors for synaptic applications. The key functionality of the memristors is to realize multiple non-volatile conductance states with high precision. However, the variation of device conductance inevitably causes the state-overlap issue, limiting the number of available states. The insufficient number of states and the resultant inaccurate weight quantization are bottlenecks in developing practical memristors. Herein, we demonstrate a resistive switching device based on Pt/LaAlO 3 /SrTiO 3 (Pt/LAO/STO) heterostructures, which is suitable for multi-level memristive applications. By redistributing the surface oxygen vacancies, we precisely control the tunneling of two-dimensional electron gas (2DEG) through the ultrathin LAO barrier, achieving multiple and tunable conductance states (over 27) in a non-volatile way. To further improve the multi-level switching performance, we propose a variance-aware weight quantization (VAQ) method. Our simulation studies verify that the VAQ effectively reduces the state-overlap issue of the resistive switching device. We also find that the VAQ states can better represent the normal-like data distribution and, thus, significantly improve the computing accuracy of the device. Our results provide valuable insight into developing high-precision multi-bit memristors based on complex oxide heterostructures for neuromorphic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Role of Sr doping and external strain on relieving bottleneck of oxygen diffusion in La 2- x Sr x CuO 4-δ

In many complex oxides, the oxygen vacancy formation is a promising route to modify the material properties such as a superconductivity and an oxygen diffusivity. Cation substitutions and external strain have been utilized to control the concentration and diffusion of oxygen vacancies, but the mechanisms behind the controls are not fully understood. Using first-principles calculations, we find how Sr doping and external strain greatly enhances the diffusivity of oxygen vacancies in La 2-x Sr x CuO 4-δ (LSCO) in the atomic level. In hole-doped case (2x > δ), the formation energy of an apical vacancy in the LaO layer is larger than its equatorial counterpart by 0.2 eV that the bottleneck of diffusion process is for oxygen vacancies to escape equatorial sites. Such an energy difference can be reduced and even reversed by either small strain (< 1.5%) or short-range attraction between Sr and oxygen vacancy, and in turn, the oxygen diffusivity is greatly enhanced. For fully compensated hole case (2x ≦ δ), the formation energy of an apical vacancy becomes too high that most oxygen vacancies cannot move but would be trapped at equatorial sites. From our electronic structure analysis, we found that the contrasting change in the formation energy by Sr doping and external strain is originated from the different localization natures of electron carrier from both types of oxygen vacancies.

25 ENERGY STORAGE↗
DOE OSTI2021

Tailorable multifunctionalities in ultrathin 2D Bi-based layered supercell structures

Two-dimensional (2D) materials with robust ferromagnetic behavior have attracted great interest because of their potential applications in next-generation nanoelectronic devices. Aside from graphene and transition metal dichalcogenides, Bi-based layered oxide materials are a group of prospective candidates due to their superior room-temperature multiferroic response. In this work, an ultrathin Bi 3 Fe 2 Mn 2 O 10+δ layered supercell (BFMO322 LS) structure was deposited on an LaAlO 3 (LAO) (001) substrate using pulsed laser deposition. Microstructural analysis suggests that a layered supercell (LS) structure consisting of two-layer-thick Bi–O slabs and two-layer-thick Mn/Fe–O octahedra slabs was formed on top of the pseudo-perovskite interlayer (IL). A robust saturation magnetization value of 129 and 96 emu cm -3 is achieved in a 12.3 nm thick film in the in-plane (IP) and out-of-plane (OP) directions, respectively. The ferromagnetism, dielectric permittivity, and optical bandgap of the ultrathin BFMO films can be effectively tuned by thickness and morphology variation. In addition, the anisotropy of all ultrathin BFMO films switches from OP dominating to IP dominating as the thickness increases. This study demonstrates the ultrathin BFMO film with tunable multifunctionalities as a promising candidate for novel integrated spintronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗