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Superconducting qubits have arisen as a leading technology platform for quantum computing, which is on the verge of revolutionizing the world's calculation capacities. Nonetheless, the fabrication of computationally reliable qubit circuits requires increasing the quantum coherence lifetimes, which are predominantly limited by the dissipations of two-level system defects present in the thin superconducting film and the adjacent dielectric regions. In this paper, we demonstrate the reduction of two-level system losses in three-dimensional superconducting radio frequency niobium resonators by atomic layer deposition of a 10 nm aluminum oxide Al2O3 thin films, followed by a high vacuum heat treatment at 650 °C for few hours. By probing the effect of several heat treatments on Al2O3-coated niobium samples by x-ray photoelectron spectroscopy plus scanning and conventional high resolution transmission electron microscopy coupled with electron energy loss spectroscopy and energy dispersive spectroscopy, we witness a dissolution of niobium native oxides and the modification of the Al2O3-Nb interface, which correlates with the enhancement of the quality factor at low fields of two 1.3 GHz niobium cavities coated with 10 nm of Al2O3. [ABSTRACT FROM AUTHOR]

We report different growth modes and corresponding magnetic properties of thin EuSe films grown by molecular beam epitaxy on BaF2, Pb1−xEuxSe, GaAs, and Bi2Se3 substrates. We show that EuSe grows predominantly in the (001) orientation on GaAs(111) and Bi2Se3, but along the (111) crystallographic direction on BaF2 (111) and Pb1−xEuxSe (111). High resolution transmission electron microscopy measurements reveal a sharp and highly crystalline interface for both (001) and (111) EuSe films. In agreement with previous studies, ordered magnetic phases include antiferromagnetic, ferrimagnetic, and ferromagnetic phases. In contrast to previous studies, we found a strong hysteresis of the antiferromagnetic–ferrimagnetic transition. The ability to grow epitaxial films of EuSe on Bi2Se3 and of Bi2Se3 on EuSe enables further investigation of interfacial exchange interactions between various phases of an insulating metamagnetic material and a topological insulator. [ABSTRACT FROM AUTHOR]

Spin-wave based computing requires materials with low Gilbert damping, such as Ni 80 Fe 20 (Permalloy) or yttrium iron garnet, in order to allow for spin-wave propagation on a length scale comparable to the device size. Many devices, especially those that rely on spin–orbit effects for operation, are subject to intense Joule heating, which can exacerbate electromigration and induce local phase changes. Here, the effect of annealing on the Gilbert damping coefficient α of 36 nm Py thin films grown on a Si substrate is examined. Ferromagnetic resonance measurements, high resolution transmission electron microscopy, as well as energy dispersive x-ray spectroscopy have been employed to determine α while also studying structural changes in the thin films. The Gilbert damping parameter was found to increase sixfold when annealed at 350 ° C, which was linked to the diffusion of Ni atoms into the Si substrate on a length scale of up to 50 nm. The results demonstrate that magnonic devices have to be treated with caution when Joule heating occurs due to its detrimental effects on the magnonic properties, but the effect can potentially be exploited in the fabrication of magnonic devices by selectively modifying the magnonic damping locally. [ABSTRACT FROM AUTHOR]

Recently, amorphous/disordered oxide thin films made from Fe and lanthanides like Dy and Tb have been reported to have a rich set of magnetic, optical, and electronic properties, as well as room-temperature magneto-electric coupling with multiferroics [A. Malasi et al., Sci. Rep. 5, 18157 (2015); H. Taz et al., Sci. Rep. 6, 27869 (2016); and H. Taz et al., Sci. Rep. 10, 1–10 (2020)]. Here, we report the synthesis and detailed characterization of Fe 2.75 Dy-oxide thin films prepared on various substrates using electron beam co-evaporation. The structure, chemistry, electric, magnetic, and optical properties were studied for the as-prepared and annealed (373 K, in air, 1 h) films of thickness 40 nm. High resolution transmission electron microscopy and electron diffraction study showed that the films were amorphous in both the as-prepared and annealed states. The electron energy-loss spectroscopy studies quantified that metal oxygen stoichiometry changed from Fe 2.75 Dy-O 1.5 to Fe 2.75 Dy-O 1.7 upon annealing. Synchrotron-based x-ray absorption spectroscopy investigation confirmed that the as-prepared films were highly disordered with predominantly metallic Fe and Dy states that became slightly oxidized with annealing in air. The as-prepared amorphous films demonstrated significantly high value of ordinary (∼ 10 cm 2 /V s) and anomalous (∼ 10 2 cm 2 /V s) Hall mobility and high electrical conductivity of ∼ 10 3 S/cm at room temperature. The cryogenic magnetic property measurement shows two-step magnetization below 200 K, suggesting exchange-spring magnetic interaction. The nature of the field cooled and zero-field cooled curves suggested a spin-glass like transition between 78 K and 80 K, with a characteristic broad peak. The Tauc plot analysis from optical transmission spectra confirms the existence of an optical bandgap of ∼ 2.42 eV that increased slightly to ∼ 2.48 eV upon annealing. This rich set of transport, optical, and magnetic properties in these thin films is very exciting and points to potential applicability in low-cost multifunctional devices requiring a combination of transparent, semiconducting, and magnetic responses, such as in spintronics. [ABSTRACT FROM AUTHOR]

Copper oxide (CuO) is a p-type semiconductor material having versatile use in a wide number of applications. In this work, a CuO nanoleaf structure has been synthesized without any traces of Cu2O by a one-step facile method under mild refluxing conditions. The phase purity of the sample is confirmed by x-ray diffraction, x-ray photoelectron spectroscopy, and high resolution transmission electron microscopy. Photoelectrochemical performance has been evaluated by linear scan voltammetry, and transient photocurrent has been measured in the presence of a visible light source of 350 W. Transient photocurrent shows a high photocurrent density of −6.0 mA cm−2 [at −0.2 V vs reference hydrogen electrode (RHE)] in neutral pH. The enhancement of photocurrent density is due to the large space charge region potential, confirmed by a Mott–Schottky measurement. This large space charge region potential is responsible for the higher efficiency of electron–hole separation and a concurrent increase in the kinetics of the process. [ABSTRACT FROM AUTHOR]

We report on the observation of the rich variety of crystallographic phase formation in a RexMo1 – xS2 alloy for x < 0.5. For x < 0.23, no low dimensional superstructural modulation is observed and inter cation hybridization remains discrete, forming dimers to tetramers with increasing Re concentration. For x > 0.23, superstructural modulation is observed. Depending on the Re concentrations (x = 0.23, 0.32, 0.38, and 0.45) and its distributions, various types of cation hybridization result in the rich variety of low dimensional superstructural modulation as directly revealed by high resolution transmission electron microscopy. These layered alloy systems may be useful for various energy and novel device applications. [ABSTRACT FROM AUTHOR]

Dissociated a-type screw dislocations in gallium nitride, comprising pairs of 30° Shockley partial dislocations separated by I2 basal stacking faults, were observed by aberration-corrected high resolution transmission electron microscopy (HRTEM). HRTEM image simulations, in conjunction with density functional theory calculations, led to the identification of the core structures of the Shockley partials. Both partials were found to belong to the glide set rather than the shuffle one, while the core with gallium polarity is reconstructed, but the one with nitrogen polarity is not. During in situ irradiation by the electron beam, the I2 stacking fault ribbon was found to shrink, ultimately leading to a remerging of the two partials. This reversal of the dissociation reaction was attributed to recombination enhanced dislocation glide, whereby the Shockley partial with nitrogen polarity was identified to be the mobile one. A possible model explaining this mobility is proposed comprising a local modification of the dislocation's electronic structure due to the presence of nitrogen vacancies at its core. [ABSTRACT FROM AUTHOR]

The development of bright and photostable colloidal quantum dots has been a truly interdisciplinary feat. Designing a specific composition of core and shell materials and then producing the desired nanoarchitecture through chemical routes require a blend of physical and inorganic chemistry, solid-state physics, and materials science. In a battle to separate charge carriers from a surface wrought with defect states, complex shell structures with precisely specified gradient compositions have been engineered, producing nanosized emitters with exceptional stability and color purity. However, much of the success has resided in II-VI materials, such as CdSe, and progress is only just being made on cadmium-free quantum dots. This perspective will discuss the primary challenges in engineering colloidal quantum dots and highlight how the advent of advanced analytical electron microscopy is revealing the structure-function relationships of these complex systems. [ABSTRACT FROM AUTHOR]

Recently, SnSe based thermoelectric materials attained much interest due to their environment friendly IV–VI semiconductor group. Herein, Al doped SnSe (Sn1−xAlxSe) specimens were prepared by combined ball milling and spark plasma sintering. High resolution transmission electron microscopy analysis of (Sn1−xAlxSe) nanostructure samples confirmed the existence of different crystal defects and dislocation induced by Al doping. Lower thermal conductivity (0.63 W/mK at 750 K) is observed for Sno.92Al0.08Se samples than pristine SnSe (1.14 W/mK at 750 K), which is mainly attributed to various crystal defects, such as lattice dislocation, stacking fault, grain boundary scattering, and excellent anharmonic bonding nature of SnSe. The maximum electrical conductivity is observed for the SAS-2 sample, which correlates well with the low activation energy of 0.20 eV. The minimal doping of Al (SAS-2) decoupled the strong interdependency of electrical and thermal transport properties, leading to a maximum ZT of 0.18 at 743 K. The Al doped SnSe (Sn1−xAlxSe) induced point defects in the sample, which provides a new strategy for waste heat recovery. [ABSTRACT FROM AUTHOR]

Ion implantation induced phase transformation and the crystal structure of a series of ion implanted β-Ga2O3 samples were studied using electron diffraction, high resolution transmission electron microscopy, and scanning transmission electron microscopy. In contrast to previous reports suggesting an ion implantation induced transformation to the orthorhombic κ-phase, we show that for 28Si+, 58Ni+, and stoichiometric 69Ga+/16O+-implantations, the monoclinic β-phase transforms to the cubic γ-phase. The γ-phase was confirmed for implantations over a range of fluences from 1014 to 1016 ions/cm2, indicating that the transformation is a general phenomenon for β-Ga2O3 due to strain accumulation and/or γ-Ga2O3 being energetically preferred over highly defective β-Ga2O3. [ABSTRACT FROM AUTHOR]

We report high resolution electronic spectroscopy of cold magnesium monofluoride (MgF) molecules in the gas phase, which are created by a combination of laser ablation, chemical reaction, and 6 K helium buffer-gas cooling. Thanks to the sufficient population in the low-lying rotational states, the P, Q, and R branches in the electronic transition of the X2Σ+ to A2Π state are able to be measured unambiguously by in-cell absorption spectra. For the first time, we show that the A 2 Π state of MgF is actually a normal state, not an inverted one. The laser cooling relevant transitions X 2 Σ + v = 0,1 , N = 1 → A 2 Π 1 / 2 (v = 0 , J ′ = 1 / 2) are also identified, along with the hyperfine structure of the X 2 Σ + (v = 0, N = 1) state. This study provides an important step for ongoing laser cooling experiments of MgF molecules. [ABSTRACT FROM AUTHOR]

Gallium nitride (GaN) nanowires (NWs) have been fabricated by top-down etching from GaN heteroepitaxial films, which provides an accurate control of their position and dimensions. However, these NWs contain, similar to the initial GaN films, high density of structural defects such as threading dislocations (TDs). In this work, different strategies to reduce the density of defects along the NWs have been compared based on two different wet etching approaches followed by a rapid thermal annealing (RTA) at 750 °C. The addition of a 30 nm SiNx coating is also explored. The defects and strain/stress along the NWs have been studied by high resolution transmission electron microscopy, diffraction contrast imaging in two-beam conditions and 4D STEM, as well as strain maps calculated from scanning precession electron diffraction measurements. RTA reduced the density of TDs at the middle of GaN NWs with bare surfaces by approximately 25%. The reduction increased to approximately 70% by RTA of GaN NWs with surfaces coated by amorphous SiNx, which is attributed to enhancement of dislocation movements by stresses induced from differential thermal expansion of GaN and SiNx. These results suggest a process route that, if optimized and combined with reduction of NW diameter, could establish etching as an efficient fabrication method for high crystal quality GaN NWs. [ABSTRACT FROM AUTHOR]

The visualization of electron orbitals in real space is expected as a next-generation technique that has been evolved from high spatial resolution electron microscopy. Core excitation electron energy-loss spectra with a high signal-to-noise ratio were recorded in a scanning transmission electron microscope with high spatial resolution to directly observe the electron orbitals in real space. We experimentally demonstrate that anisotropic distributions of oxygen 2p orbitals in SrTiO3 were observed in real space and were dependent on the difference in the chemical bonds between Ti and O atoms. The results open the door to the visualization of electronic orbitals with electron microscopes. [ABSTRACT FROM AUTHOR]

Anharmonicity and impurities have a significant impact on the dynamic and optical properties of crystalline solids. In this report, we have performed temperature-dependent Raman spectroscopy in the range of 300–800 K for hydrothermally synthesized titanium dioxide (TiO2) nanorod composed microflowers doped with Cu. X-ray diffraction and high resolution transmission electron microscopy confirm the pure rutile phase of both pristine and Cu doped TiO2. The most intense Eg and A1g modes exhibit a frequency redshift, and the linewidth increases with temperature, which leads to Fano line shape type asymmetry. The anharmonicity induced phonon frequency shift as a function of temperature was well fitted using the Klemens model by combining three and four-phonon coupling processes. The Raman modes soften with the increasing concentration of Cu doping. The Cu dopant acts as an impurity, which manifests defect states to tune the bandgap and shorten the phonon lifetime and anharmonicity. Such an anharmonic effect can lead to applications in the sensing devices with suitable thermal and electrical conductivities. [ABSTRACT FROM AUTHOR]

In this Perspective, the evolutionary and revolutionary developments of ultrafast electron imaging are overviewed with focus on the "single-electron concept" for probing methodology. From the first electron microscope of Knoll and Ruska [Z. Phys. 78, 318 (1932)], constructed in the 1930s, to aberration-corrected instruments and on, tofour-dimensional ultrafast electron microscopy (4D UEM), the developments over eight decades have transformed humans' scope of visualization. The changes in the length and time scales involved are unimaginable, beginning with the micrometer and second domains, and now reaching the space and time dimensions of atoms in matter. With these advances, it has become possible tofollow the elementary structural dynamics as it unfolds in real time and to provide the means for visualizing materials behavior and biological functions. The aim is to understand emergent phenomena in complex systems, and 4D UEM is now central for the visualization of elementary processes involved, as illustrated here with examples from past achievements and future outlook. [ABSTRACT FROM AUTHOR]

Hexagonal boron nitride (h-BN) is considered as one of the most promising materials for next-generation quantum technologies. In this paper, we report bulk-like multilayer h-BN epitaxially grown using a carbon-free precursor on c-plane sapphire with a strong emphasis on material characterization and analysis. In particular, structural, morphological, and vibrational properties, and chemical bonding of such van der Waals materials are presented. Between as-grown h-BN and c-plane sapphire, a compressive residual strain induced by both lattice mismatch and thermal expansion mismatch is examined by both theoretical and experimental studies. Atomic force microscopy revealed and scanning electron microscopy supported the presence of wrinkles across the entire surface of the film, likely due to biaxial compressive strain further verified by Raman spectroscopy. Stacking orders in h-BN with a clearly layered structure were confirmed by high resolution transmission electron microscopy, showing that the films have crystallographic homogeneity. Chemical analysis of the as-grown films was done by x-ray photoelectron spectroscopy, which confirmed the formation of stoichiometric h-BN films with excellent uniformity. This wafer-scale chemical vapor deposition-grown layered h-BN with 2D morphology facilitates applications in the fields of quantum- and deep ultraviolet-photonics. [ABSTRACT FROM AUTHOR]

Expansion from coherent 2D spectroscopy to coherent 3D spectroscopy can provide significant advantages when studying molecules that have heavily perturbed energy levels. This paper illustrates such advantages by demonstrating how high resolution coherent 3D (HRC3D) spectroscopy can be used to study a portion of the visible spectrum of nitrogen dioxide. High resolution coherent 2D spectra usually contain rotational and vibrational patterns that are easy to analyze, but severe congestion and complexity preclude its effective use for many parts of the NO2 spectrum. HRC3D spectroscopy appears to be much more effective; multidimensional rotational and vibrational patterns produced by this new technique are easy to identify even in the presence of strong perturbations. A method for assigning peaks, which is based upon analyzing the resulting multidimensional patterns, has been developed. The higher level of multidimensionality is useful for reducing uncertainty in peak assignments, improving spectral resolution, providing simultaneous information on multiple levels and states, and predicting, verifying, and categorizing peaks. [ABSTRACT FROM AUTHOR]

We report on the visible light induced photocatalytic responses of zinc oxide (ZnO) nanostructures in the form of nanowires and nanowalls grown on aluminum substrates. Morphological and microstructural characteristics of these nanostructures have been analyzed using scanning electron microscopy (SEM) and high resolution electron microscopy (HRTEM). The presence of surface-adsorbed H+, O2-, and OH- species on ZnO nanostructures has been established through secondary ion mass spectrometry (SIMS). The relative change in substrate coverage under varying reaction time has also been evidenced through SIMS and is in agreement with SEM observation. Compared to nanowires, oxygen adsorption on ZnO surfaces and subsequent oxygen in-diffusion are found to be prominent for the nanowall-like structures and are seen to be highest for nanowalls grown in lower reaction time. In contrast to nanowires, nanowalls are found to exhibit higher photocatalytic activity and this can be attributed to higher adsorption of oxygen. The photocatalytic activity of the samples under visible light is originated from the native defect-states and the photocatalytic efficiency is largely influenced by the surface-adsorbants. Control of surface adsorption characteristics of the nanowalls upon tuning wall thicknesses can lead to the development of futuristic efficient photocatalytic devices. [ABSTRACT FROM AUTHOR]

The (2,0) vibrational band of the A ² Σ - - X ²&#n;1055;1/2 transition of platinum nitride, PtN, was recorded at Doppler-limited resolution using intracavity laser absorption spectroscopy (ILS) and at sub-Doppler resolution using molecular beam laser induced fluorescence (LIF) spectroscopy. Isotopologue structure for 194PtN, 195PtN, and 196PtN, magnetic hyperfine splitting due to 195Pt (I = 2), and nuclear quadrupole splitting due to 14N (I = 1) were observed in the spectrum. Molecular constants for the ground and excited states are derived. The hyperfine interactions are used to illuminate the nature of the A ²Σ - excited electronic state. [ABSTRACT FROM AUTHOR]

CeO2–HfO2 solid solution thin films, Hf1−xCexO2, are fabricated on n+-Si(100) substrates by the chemical solution deposition method. The effects of the CeO2 content and annealing temperature on the structure and ferroelectric properties of Hf1−xCexO2 are studied. The structural properties are investigated by glancing incidence x-ray diffraction and high resolution transmission electron microscopy, while the chemical states are examined by x-ray photoelectron spectroscopy. The results reveal that the admixture of CeO2 could effectively induce the ferroelectric phase. For Hf0.85Ce0.15O2 fabricated at an annealing temperature of 800 °C, an enhanced remanent polarization (Pr) of ∼20 μC/cm2 (after correction for leakage and parasitics) could be attained. Moreover, Hf0.85Ce0.15O2 demonstrates good endurance behavior, that the polarization does not show obvious degradation over 1 × 109 bipolar switching cycles, at an electric field of 2.9 MV/cm and a frequency of 100 kHz. This work highlights the importance of CeO2–HfO2 solid solution films in HfO2-based ferroelectric thin films. [ABSTRACT FROM AUTHOR]

Amorphous carbon and amorphous materials in general are of particular importance for high resolution electron microscopy, either for bulk materials, generally covered with an amorphous layer when prepared by ion milling techniques, or for nanoscale objects deposited on amorphous substrates. In order to quantify the information of the high resolution images at the atomic scale, a structural modeling of the sample is necessary prior to the calculation of the electron wave function propagation. It is thus essential to be able to reproduce the carbon structure as close as possible to the real one. The approach we propose here is to simulate a realistic carbon from an energetic model based on the tight-binding approximation in order to reproduce the important structural properties of amorphous carbon. At first, we compare this carbon with the carbon obtained by randomly generating the carbon atom positions. In both cases, we discuss the limit thickness of the phase object approximation. In a second step, we show the influence of both carbons models on (i) the contrast of Cu, Ag, and Au single atoms deposited on carbon and (ii) the determination of the long-range order parameter in CoPt bimetallic nanoalloys. [ABSTRACT FROM AUTHOR]

Group 3 metal-aniline complexes, M(aniline) (M = Sc, Y, and La), are produced in a pulsed laser-vaporization molecular beam source, identified by photoionization time-of-flight mass spectrometry, and investigated by pulsed-field ionization zero electron kinetic energy (ZEKE) spectroscopy and quantum chemical calculations. Adiabatic ionization energies and several low-frequency vibrational modes are measured for the first time from the ZEKE spectra. Metal binding sites and electronic states are determined by combining the ZEKE measurements with the theoretical calculations. The ionization energies of the complexes decrease down the metal group. An out-of-plane ring deformation mode coupled with an asymmetric metal-carbon stretch is considerably anharmonic. Although aniline has various possible sites for metal coordination, the preferred site is the phenyl ring. The metal binding with the phenyl ring yields syn and anti conformers with the metal atom and amino hydrogens on the same and opposite sides of the ring, respectively. The anti conformer is determined to be the spectral carrier. The ground electronic state of the anti conformer of each neutral complex is a doublet with a metal-based electron configuration of nd2(n + 1)s1, and the ground electronic state of each ion is a singlet with a metal-based electron configuration of nd2. The formation of the neutral complexes requires the nd2(n + 1)s1 ← nd1(n + 1)s2 electron excitation in the metal atoms. [ABSTRACT FROM AUTHOR]

We present a first investigation of structural properties of Ag clusters with a diameter of up to 5.5 nm grown inside superfluid helium nanodroplets (HeN) and deposited on an amorphous C surface. With high resolution transmission electron microscope images we are able to show that in addition to the crystalline face centered cubic (fcc) structure, noncrystalline icosahedral (Ih), and decahedral (Dh) morphologies are grown. Relative abundances (56% fcc, 31% Dh, and 13% Ih) as well as the size distribution of each morphology (mean diameters [formula] nm, [formula] nm, and [formula] nm) do not reflect the situation expected from pure energetic considerations, where small Ihs should be followed by medium sized Dhs and large fccs. Instead, kinetic factors seem to play an important role in the formation of these structures, as it appears to be the case for clusters formed by inert gas aggregation. Considering the low temperatures (0.37 K) and extremely high cooling rates, we discuss basic ideas that might lead to a qualitative picture of the cluster formation process inside HeN. [ABSTRACT FROM AUTHOR]

Molecule-substrate interaction channels of metal-phthalocyanines (MPcs, including NiPc, CuPc, ZnPc, FePc, and CoPc) on graphene on Ni(111) were investigated by employing high-resolution electron energy loss spectroscopy (HREELS). Except the expected IR-active modes, some Raman-active modes were also observed in all of MPcs, which are considered in this study. From the origination of the Raman-active features, it was deduced that MPcs are coupled with the substrate mainly through their central metal atom. The Raman-active modes appear as symmetric peaks in the HREELS in the case of MPcs with Ni, Cu, and Zn, whereas they are asymmetric and appear as a Fano line shape in the case of MPcs with Fe and Co. This spectroscopic difference indicates that the molecule-substrate coupling is completely different in the two cases mentioned above. The molecule-substrate interaction strength is considerably weak and comparable with the π-π interaction between molecules in the case of MPcs with Ni, Cu, and Zn, whereas it is much stronger in the case of MPcs with Fe and Co. From the HREELS observations, it can be suggested that the whole molecule can be effectively decoupled from the underneath Ni(111) by inserting a single layer of graphene between them in the case of MPcs with Ni, Cu, and Zn, whereas only benzene rings can be completely decoupled in the case of MPcs with Fe and Co. [ABSTRACT FROM AUTHOR]

Epitaxial thin films of biferroic (Bi1-xLax)2NiMnO6 have been grown on SrTiO3 (001) substrates. High resolution electron microscopy, energy-loss spectroscopy and synchrotron radiation have been used to demonstrate that, under appropriate growth conditions, stoichiometric, and fully oxidized thin films with long-range order of Ni2+ and Mn4+ ions can be obtained, despite the presence of randomly distributed dissimilar cations (Bi, La) at the A-site. This ordering leads to Ni2+-O-Mn4+ ferromagnetic interactions and its preservation in thin films is key for implementation of these biferroic materials in practical devices. [ABSTRACT FROM AUTHOR]

The ν5 antisymmetric stretching mode of the linear carbon cluster C7 has been revisited using a sensitive high-resolution spectrometer, including an external-cavity quantum cascade laser covering the range of interest of 1894–1901 cm-1. 50 transitions of the ν5-band have been recorded and analyzed together with 45 transitions of the ν4-band measured by Neubauer-Guenther et al. [J. Chem. Phys. 127, 014313 (2007)]. We determined the band centers, rotational and centrifugal constants very precisely. In addition, 29 hot band transitions have been measured and tentatively assigned to the ν5+ν11-ν11 hot band. A global fit of the hot bands ν5+ν11-ν11 and ν4+ν11-ν11 is presented. Derived l-type doubling constants allow for an experimental estimation of the ν11-band center. [ABSTRACT FROM AUTHOR]

We report on detailed study of detonation nanodiamonds (DNDs) whose surface has been chemically modified by copper with the aid of ion exchange in water DND suspension. High resolution transmission electron microscopy, Raman, IR, electron magnetic resonance (EMR), nuclear magnetic resonance (NMR), and superconducting quantum interference device techniques were used for the characterization of DND. Carboxyl groups, appearing on the surface of a nanodiamond particle during its synthesis and purification processes, provide an effective binding of divalent copper ions to the surface. The binding results from the ion exchange between metal cations and protons of surface carboxyl groups in water solutions. IR data evidence the presence of multiple C[Single_Bond]O[Single_Bond]C groups in the dried copper-modified DND product. Both EMR and 13C NMR provide direct evidences of the appearance of isolated Cu2+ ions on the surface of the 5 nm nanodiamond particles. EMR spectra reveal well-pronounced hyperfine structure due to 63,65Cu nuclear spin I=3/2 with the spectral pattern which is typical for mononuclear axially distorted Cu2+ complexes in polycrystals. Using Cu2+ ions as paramagnetic probes two-component model of carbon inherited paramagnetic centers in DND is suggested. Magnetic susceptibility for all samples follows the Curie–Weiss law above 30 K. The concentration of magnetically observable copper ions Cu2+ (spin S=1/2) localized on the nanodiamonds surface increases up to approximately 1.5–3.5 ions per nanoparticle with increasing concentration of copper acetate in starting solutions. [ABSTRACT FROM AUTHOR]

Three types of dissociated misfit dislocations (MDs) in epitaxial Ba0.3Sr0.7TiO3 thin films grown on (001) LaAlO3 have been studied by high-resolution transmission electron microscopy. First, a MD with b=[101] dissociates into two edge partials and results in the incline of film lattice. Second, a [110] MD is split into two (1/2)[110] partials of mixed character. In the third case, a [110] MD of mixed character is composed of three partials which are reacted with two (1/2)<110> stacking faults. Neither of the three types of dissociation reactions has been reported before for MDs in perovskite thin films. [ABSTRACT FROM AUTHOR]

Misfit defects in a 3C-SiC/Si (001) interface were investigated using a 200 kV high-resolution electron microscope with a point resolution of 0.194 nm. The [110] high-resolution electron microscopic images that do not directly reflect the crystal structure were transformed into the structure map through image deconvolution. Based on this analysis, four types of misfit dislocations at the 3C-SiC/Si (001) interface were determined. In turn, the strain relaxation mechanism was clarified through the generation of grow-in perfect misfit dislocations (including 90° Lomer dislocations and 60° shuffle dislocations) and 90° partial dislocations associated with stacking faults. [ABSTRACT FROM AUTHOR]