Optimal Nitrogen Incorporation in Nickel Silicide for Thermally Stable Contact Formation.

Nickel silicide (NiSi) is commonly used as a contact material for metal junctions but the poor thermal instability of NiSi above 600 °C has limited the further scaling down of devices and the implementation of novel schemes, such as monolithic 3-dimensional integration. This paper suggests a process to improve the thermal stability of NiSi through nitrogen incorporation during the silicidation process. The optimal level of nitrogen incorporation in NiSi reduced the nickel diffusion rate and enhanced the thermal stability by preventing the formation of a nickel disilicide phase. On the other hand, a higher level of N incorporation led to Ni3N formation, which impeded the complete transformation to NiSi. Therefore, it is essential to incorporate the optimal content of N. In this study, NiSi with 3.9% N incorporation showed superior electrical characteristics, such as the sheet resistance, junction leakage, and stable Schottky barrier height, even after high-temperature post silicidation annealing at 600 °C for 30 min.

Fe-Si networks and charge/discharge-induced phase transitions in Li2FeSiO4 cathode materials.

Structural phase transitions of electrode materials are responsible for poor reversibility during charge/discharge cycling in Li-ion batteries. Using previously developed structural databases, we investigate a structural landscape for LixFeSiO4 systems at x = 1. Starting with low-energy Li2FeSiO4 crystal structures, we explore the crystal structures of the material in different states of charge. The as-prepared Li2FeSiO4 materials adopt low energy structures characterized by two-dimensional (2D) Fe-Si networks. After the removal of one Li per formula unit to form LiFeSiO4, the structures with three-dimensional (3D) diamond-like Fe-Si networks become more energetically favorable without a significant impact on the charge capacity, which agrees with previous experimental and theoretical work. However, we reveal that the structure with a 3D diamond-like Fe-Si network can further transform into a new structure at x = 1. And the Li atom is hard to reinsert into these new structures. Consequently the system is prevented from returning to the Li2FeSiO4 state. We believe that the formation of this new structure plays an important role in the loss of reversible capacity of Li2FeSiO4 electrode materials.

Ferromagnetic Quantum Critical Point Avoided by the Appearance of Another Magnetic Phase in LaCrGe_{3} under Pressure.

The temperature-pressure phase diagram of the ferromagnet LaCrGe_{3} is determined for the first time from a combination of magnetization, muon-spin-rotation, and electrical resistivity measurements. The ferromagnetic phase is suppressed near 2.1 GPa, but quantum criticality is avoided by the appearance of a magnetic phase, likely modulated, AFM_{Q}. Our density functional theory total energy calculations suggest a near degeneracy of antiferromagnetic states with small magnetic wave vectors Q allowing for the potential of an ordering wave vector evolving from Q=0 to finite Q, as expected from the most recent theories on ferromagnetic quantum criticality. Our findings show that LaCrGe_{3} is a very simple example to study this scenario of avoided ferromagnetic quantum criticality and will inspire further study on this material and other itinerant ferromagnets.

Stabilities and defect-mediated lithium-ion conduction in a ground state cubic Li3N structure.

A stable ground state structure with cubic symmetry of Li3N (c-Li3N) is found by an ab initio initially symmetric random-generated crystal structure search method. Gibbs free energy, calculated within quasi-harmonic approximation, shows that c-Li3N is the ground state structure for a wide range of temperatures. The c-Li3N structure has a negative thermal expansion coefficient at temperatures lower than room temperature, mainly due to two transverse acoustic phonon modes. This c-Li3N phase is a semiconductor with an indirect band gap of 1.90 eV within hybrid density functional calculations. We also investigate the migration and energetics of native point defects in c-Li3N, including lithium and nitrogen vacancies, interstitials, and anti-site defects. Lithium interstitials are found to have a very low migration barrier (∼ 0.12 eV) and the lowest formation energy among all possible defects. The ionic conduction in c-Li3N is thus expected to occur via an interstitial mechanism, in contrast to that in the well-known α-Li3N phase which occurs via a vacancy mechanism.

A DC programming approach for finding communities in networks.

Automatic discovery of community structures in complex networks is a fundamental task in many disciplines, including physics, biology, and the social sciences. The most used criterion for characterizing the existence of a community structure in a network is modularity, a quantitative measure proposed by Newman and Girvan (2004). The discovery community can be formulated as the so-called modularity maximization problem that consists of finding a partition of nodes of a network with the highest modularity. In this letter, we propose a fast and scalable algorithm called DCAM, based on DC (difference of convex function) programming and DCA (DC algorithms), an innovative approach in nonconvex programming framework for solving the modularity maximization problem. The special structure of the problem considered here has been well exploited to get an inexpensive DCA scheme that requires only a matrix-vector product at each iteration. Starting with a very large number of communities, DCAM furnishes, as output results, an optimal partition together with the optimal number of communities [Formula: see text]; that is, the number of communities is discovered automatically during DCAM's iterations. Numerical experiments are performed on a variety of real-world network data sets with up to 4,194,304 nodes and 30,359,198 edges. The comparative results with height reference algorithms show that the proposed approach outperforms them not only on quality and rapidity but also on scalability. Moreover, it realizes a very good trade-off between the quality of solutions and the run time.

COFT-AD: COntrastive Fine-Tuning for Few-Shot Anomaly Detection.

Existing approaches towards anomaly detection (AD) often rely on a substantial amount of anomaly-free data to train representation and density models. However, large anomaly-free datasets may not always be available before the inference stage; in which case an anomaly detection model must be trained with only a handful of normal samples, a.k.a. few-shot anomaly detection (FSAD). In this paper, we propose a novel methodology to address the challenge of FSAD which incorporates two important techniques. Firstly, we employ a model pre-trained on a large source dataset to initialize model weights. Secondly, to ameliorate the covariate shift between source and target domains, we adopt contrastive training to fine-tune on the few-shot target domain data. To learn suitable representations for the downstream AD task, we additionally incorporate cross-instance positive pairs to encourage a tight cluster of the normal samples, and negative pairs for better separation between normal and synthesized negative samples. We evaluate few-shot anomaly detection on 3 controlled AD tasks and 4 real-world AD tasks to demonstrate the effectiveness of the proposed method.

Experimental demonstration of combination-encoding content-addressable memory of 0.75 bits per switch utilizing Hf-Zr-O ferroelectric tunnel junctions.

We experimentally demonstrate the concept of combination-encoding content-addressable memory (CECAM) that offers much higher content density than any other content-addressable memory devices proposed to date. In this work, CECAM was fabricated and validated with a hafnium-zirconium oxide (HZO) ferroelectric tunnel junction (FTJ) crossbar array. The new CAM structure, which utilizes nonvolatile memory devices, offers numerous advantages including low-current operation (FTJ), standby power reduction (ferroelectric HZO), and increased content density. Multibit data are encoded and stored in multi-switch CECAM. Perfect-match searching in CECAM with a reasonable match current (lower than nA) for different sizes of CECAM has been validated from a novel CAM device. We demonstrate N-CECAM (with keys encoded into 2N-long binary arrays) for N = 3 (using 6 FTJs) and 4 (using 8 FTJs), leading to content densities of 0.667 and 0.75 bits per switch, which highlight 33% and 50% increase in content density compared to that of the conventional TCAM (0.5 bits per switch).

Formation techniques for upper active channel in monolithic 3D integration: an overview.

The concept of three-dimensional stacking of device layers has attracted significant attention with the increasing difficulty in scaling down devices. Monolithic 3D (M3D) integration provides a notable benefit in achieving a higher connection density between upper and lower device layers than through-via-silicon. Nevertheless, the practical implementation of M3D integration into commercial production faces several technological challenges. Developing an upper active channel layer for device fabrication is the primary challenge in M3D integration. The difficulty arises from the thermal budget limitation for the upper channel process because a high thermal budget process may degrade the device layers below. This paper provides an overview of the potential technologies for forming active channel layers in the upper device layers of M3D integration, particularly for complementary metal-oxide-semiconductor devices and digital circuits. Techniques are for polysilicon, single crystal silicon, and alternative channels, which can solve the temperature issue for the top layer process.

New layered structures of cuprous chalcogenides as thin film solar cell materials: Cu2Te and Cu2Se.

The stable crystal structures of two cuprous chalcogenides of Cu2X (X=Te or Se) are predicted using an adaptive genetic algorithm in combination with first-principles density functional theory calculations. Both systems are found to prefer a unique and previously unrecognized layered structure, with the total energies much lower than all structures proposed in the literature so far. The newly discovered structures are further shown to be dynamically and mechanically stable, and possess electronic properties consistent with existing experimental observations. In particular, their layered nature is expected to prevail over other structural forms at the interfaces of thin-film solar cells, and knowledge about the precise atomic structures of the interfaces is a prerequisite for achieving long-term stability and high efficiency of CdTe and Cu(In,Ga)Se2 solar cells.

In vitro and in silico cytotoxic activities of triterpenoids from the leaves of Aralia dasyphylla Miq. and the assessment of their ADMET properties.

From the methanol extract of the leaves of Aralia dasyphylla Miq. (Araliaceae), ten triterpenoids including five ursane-type triterpenoids, ursolic acid (1), 3-O-α-l-arabinopyranosyl ursolic acid (2), ursolic acid 28-O-ß-D-glucopyranosyl ester (3), 3-O-[ß-D-glucopyranosyl (l→3)]-α-L-arabinopyranosyl ursolic acid (4), and matesaponin 1 (5), and five oleanane-type triterpenoids, elatoside E (6), elatoside F (7), 3-O-[ß-D-glucopyranosyl (l→3)]-α-L-arabinopyranosyl oleanolic acid (8), 3-O-α-L-arabinopyranosyl oleanolic acid (9) and oleanolic acid 28-O-ß-D-glucopyranosyl ester (10) were isolated. Their structures were elucidated based on 1D-, 2D-NMR and ESI-MS spectra as well as by comparison with those reported in the literature. All isolated compounds were evaluated in vitro for their cytotoxic activities against three human cancer cell lines (HepG2, LU-1 and RD) and in silico by molecular docking studies on human glucose transporter 1 (hGLUT1) protein. The triterpenoids 2, 4, 6, 8 and 9 exhibited good growth inhibition of HepG2 and LU-1 cancer cell lines with IC50 values in the range 1.76 - 7.21 (µM). The oleanane type triterpenoid 8 was the highest cytotoxic compound to inhibit all the tested cancer cell lines with IC50 values of 2.73 ± 0.12, 1.76 ± 0.11, 2.63 ± 0.10 µM, respectively. The in silico molecular docking study results showed that compounds 4 and 6 had the highest binding affinity. Compounds 1-10 were evaluated for their in silico ADMET of absorption, distribution, metabolism, excretion and oral toxicity parameters. Compounds 6, 8, 9 and 10 from A. dasyphylla are potential hGLUT1 inhibitors and worth of further investigation for the prevention or treatment of diabetes and cancer.Communicated by Ramaswamy H. Sarma.

SemiCurv: Semi-Supervised Curvilinear Structure Segmentation.

Recent work on curvilinear structure segmentation has mostly focused on backbone network design and loss engineering. The challenge of collecting labelled data, an expensive and labor intensive process, has been overlooked. While labelled data is expensive to obtain, unlabelled data is often readily available. In this work, we propose SemiCurv, a semi-supervised learning (SSL) framework for curvilinear structure segmentation that is able to utilize such unlabelled data to reduce the labelling burden. Our framework addresses two key challenges in formulating curvilinear segmentation in a semi-supervised manner. First, to fully exploit the power of consistency based SSL, we introduce a geometric transformation as strong data augmentation and then align segmentation predictions via a differentiable inverse transformation to enable the computation of pixel-wise consistency. Second, the traditional mean square error (MSE) on unlabelled data is prone to collapsed predictions and this issue exacerbates with severe class imbalance (significantly more background pixels). We propose a N-pair consistency loss to avoid trivial predictions on unlabelled data. We evaluate SemiCurv on six curvilinear segmentation datasets, and find that with no more than 5% of the labelled data, it achieves close to 95% of the performance relative to its fully supervised counterpart.

Synthesis of wool roll-like silver nanoflowers in an ethanol/water mixture and their application to detect traces of the fungicide carbendazim by SERS technique.

The Raman signal enhancement ability of the surface-enhanced Raman scattering (SERS) technique is largely determined by the SERS substrate, which is usually a collection of precious metal (such as silver or gold) nanoparticles. For use in the SERS substrate, anisotropic metal nanoparticles, e.g. flower-like, will be preferred over the isotropic ones since they will give higher Raman enhancement. The problem is that it is very difficult to fabricate anisotropic metal nanoparticles as small as the isotropic ones that are best suited for use as SERS substrates. This study deals with the synthesis of wool roll-like silver nanoflowers (AgNFs) in a mixed ethanol/water solution instead of the usual aqueous solution when reducing silver nitrate with ascorbic acid in the presence of citric acid, which acts as a structure-directing agent. The size of the wool roll-shaped AgNFs was reduced from about 700 nm when the solution was purely aqueous to about 280 nm when in the mixed solution the ethanol/water volume ratio was 75/25. Thanks to the size reduction of AgNFs, the enhancement factor of SERS substrates made from them has increased dramatically, from 2.7 × 106 when the size of AgNFs is 700 nm to 5.4 × 109 when their size is 280 nm (the calculation is based on rhodamine 6G Raman and SERS spectroscopy). The application of the above AgNFs to recording the SERS spectrum of carbendazim (CBZ), a typical fungicide, at low concentrations has also shown that the smaller the size of the AgNFs, the higher the intensity of the CBZ characteristic bands. The wool roll-shaped AgNFs with a size of 280 nm allowed CBZ to be detected down to a concentration of 0.01 ppm (4.2 × 10-8 M) with a detection limit of 3.2 ppb (13.4 × 10-9 M).

Impact of Pt grain size on ferroelectric properties of zirconium hafnium oxide by chemical solution deposition.

The effects of the grain size of Pt bottom electrodes on the ferroelectricity of hafnium zirconium oxide (HZO) were studied in terms of the orthorhombic phase transformation. HZO thin films were deposited by chemical solution deposition on the Pt bottom electrodes with various grain sizes which had been deposited by direct current sputtering. All the samples were crystallized by rapid thermal annealing at 700 °C to allow a phase transformation. The crystallographic phases were determined by grazing incidence X-ray diffraction, which showed that the bottom electrode with smaller Pt grains resulted in a larger orthorhombic phase composition in the HZO film. As a result, capacitors with smaller Pt grains for the bottom electrode showed greater ferroelectric polarization. The smaller grains produced larger in-plane stress which led to more orthorhombic phase transformation and higher ferroelectric polarization.

Oleanolic triterpene saponins from the roots of Panax bipinnatifidus.

Ten oleanane-type saponins (1-10), including three new compounds, namely bifinosides A-C (1-3), were isolated from the roots of Panax bipinnatifidus SEEM. Their structures were elucidated on the basis of chemical and spectroscopic methods.

Dammarane triterpenes and phytosterols from Dysoxylum tpongense Pierre and their anti-inflammatory activity against liver X receptors and NF-κB activation.

Dysoxylum tpongense Pierre (local name 'Huynh Dan Bap') belonging to family Meliaceae, is a tree (3-10 m height), distributed in the mountainous areas (ca. 1000 m a.s.l.) in North Vietnam. From the dichloromethane fraction of the methanol extract of the leaves and stems of this plant, six dammarane triterpenes, one furanoid diterpene together with three sterols were isolated. Evaluation of biological activities of isolated compounds showed that cabraleahydroxylactone (5), cabraleahydroxylactone 3-acetate (6), and stigmast-4-en-3-one (10) possessed an anti-inflammatory effect against Liver X receptor (LXR) activation in HepG2 cell line model with IC50 values of 20.29 ± 3.69, 24.32 ± 2.99, and 7.09 ± 0.97 (µM), respectively. While three other triterpenoid compounds aglinin C 3- acetate (1), aglinin C (2), and 24-epi-cabraleadiol (4) presented the most significant inhibitory effect against TNF-α induced NF-κB activation in HepG2 cell line in a dose-dependent manner with IC50 values of 12.45 ± 2.37, 23.32 ± 3.25, and 13.95 ± 1.57 µM, respectively. As stigmast-4-en-3-one (10), with structure closely similar to cholesterol, acted selectively on LXRs but not on NF-kB activation pathway, this suggests that stigmast-4-en-3-one (10) can be potentially applied as an agonist on LXR signaling pathway. Pathways LXRs-NF-κB-iNOS expression have a close relationship and play a crucial role in proceeding metabolic abnormalities like atherosclerosis, obesity, inflammation, etc. Thus, the findings showed that dammarane-type triterpenoids from D. tpongense are worthy of further investigation for potential LXR agonists and potent anti-atherogenic agents against atherosclerotic lesion progression.

Double-gate thin film transistor with suspended-gate applicable to tactile force sensor.

This paper presents a straightforward, low-cost, and effective integration process for the fabrication of membrane gate thin film transistors (TFTs) with an air gap. The membrane gate TFT with an air gap can be used as the highly sensitive tactile force sensor. The suspended membrane gate with an air gap as the insulator layer is formed by multiple photolithography steps and photoresist sacrificial layers. The viscosity of the photoresist and the spin speed was used to modify the thickness of the air gap during the coating process. The tactile force was measured by monitoring the drain current of the TFT as the force changed the thickness of the air gap. The sensitivity of the devices was enhanced by an optimal gate size and low Young's modulus of the gate material. This simple process has the potential for the production of small, versatile, and highly sensitive sensors.

Residual Image Suppression Through Annealing Process of Amorphous Indium Gallium Zinc Oxide Thin Film Transistor for Plastic Organic Light-Emitting Diode Display.

For the evaluation of the residual image suppression, the amorphous indium-gallium-zinc-oxide thin film transistor was manufactured with electric field shield metal on silicon oxide multi-buffer layer, without the need for a silicon crystallization process through the excimer laser process, and is advantageous for the manufacture of large-scale plastic organic light-emitting display. We conducted a study on the propensity to suppress a residual image according to the temperature of the annealing process in amorphous indium gallium zinc oxide. The evaluation divided by the ambient process temperature conditions to measure the change and restoration tendency of the gray current by the black/white current of thin film transistors, and for precise measurement of the current change intervals, the current was analyzed in 0.004 seconds per point. Through the study, residual image of amorphous Indium Gallium Zinc Oxide transistor was found to be suppressed as the temperature of the annealing crystallization increased from 250°C to 325°C, and there was no improvement effect on the 325°C or higher. The trend of threshold voltage shift of thin film transistors according to the two process temperature conditions, 250°C and 325°C, was analyzed by Two sample T analysis method, and the analysis confirmed that the trend of current deterioration is different through p-value 0.007.

Minimizing Residual Images of Amorphous Indium Gallium Zinc Oxide Thin-Film Transistor-Based Flexible Organic Light-Emitting Diode Displays by Controlling Oxygen Partial Pressure.

Plastic organic light emitting diode displays suffer from residual image, which is closely connected with the hysteresis of the driving thin-film transistor in the pixels. Therefore, in researching paper, we manufactured an OLED display comprise a polyimide substrate and an amorphous indium gallium zinc oxide thin film transistor active layer. Paper proposed a solution for reducing hysteresis through oxygen partial pressure control and evaluated it using hysteresis analysis. The results showed that hysteresis is strongly dependent on the threshold voltage is settled by the oxygen partial pressure while active layer deposition of the TFT. Moreover, hysteresis decreases with increasing temperature.

Residual Image Reduction Using Electric Field Shield Metal in Plastic Organic Light-Emitting Diode Display.

A plastic organic light-emitting diode display is a device that emits light in an organic layer in proportion to the amount of current applied from a thin film transistor, which constitutes a pixel. However, it was confirmed that the residual image was shown by the operation of the thin film transistor. To suppress residual image, the effect of electric field was studied in operation of a-IGZO thin film transistor. The a-IGZO thin film transistor, in which a polyimide film was used as a substrate, was applied as a driving thin film transistor for pixel circuits in a plastic organic light-emitting diode display, and the effect of the electric field behavior inside the film on residual images was studied. Residual images were strongly connection with the electric field distribution characteristics inside the polyimide substrate, and they were reduced by introducing an electric field shield metal layer in the a-IGZO thin film transistor. The correlation between residual image generation and the operation of the a-IGZO thin film transistor was further explained through technology computer-aided design simulation (Silvaco Group Inc.).

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects.

The dependence of the magnetocrystalline anisotropy energy (MAE) in MCo5 (M = Y, La, Ce, Gd) and CoPt on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA + U scheme is investigated. A range of parameters suitable for the satisfactory description of key magnetic properties is determined. We show that for a large variation of SO interaction the MAE in these materials can be well described by the traditional second order perturbation theory. We also show that in these materials the MAE can be both proportional and negatively proportional to the orbital moment anisotropy (OMA) of Co atoms. Dependence of relativistic effects on Coulomb correlations, applicability of the second order perturbation theory for the description of MAE, and effective screening of the SO interaction in these systems are discussed using a generalized virial theorem. Such determined sets of parameters of Coulomb correlations can be used in much needed large scale atomistic simulations.