Structural and electronic properties of Al nanowires: an ab initio pseudopotential study

The stability and electronic structure of a single monatomic Al wire has been studied using the ab initio pseudopotential method. The Al wire undergoes two structural rearrangements under compression, i.e., zigzag configurations at angles of $140^o$ and $60^o$. The evolution of electronic structures of the Al chain as a function of structural phase transition has been investigated. The relationship between electronic structure and geometric stability is also discussed. The 2p bands in the Al nanowire are shown to play a critical role in its stability. The effects of density functionals (GGA and LDA) on cohesive energy and bond length of Al nanostructures (dimmer, chains, and monolayers) are also examined. The link between low dimensional 0D structure (dimmer) to high dimensional 3D bulk Al is estimated. An example of optimized tip-suspended finite atomic chain is presented to bridge the gap between hypothetical infinite chains and experimental finite chains.Comment: 11 pages, 5 figure

Raman spectroscopy of epitaxial graphene on a SiC substrate

The fabrication of epitaxial graphene (EG) on SiC substrate by annealing has attracted a lot of interest as it may speed up the application of graphene for future electronic devices. The interaction of EG and the SiC substrate is critical to its electronic and physical properties. In this work, Raman spectroscopy was used to study the structure of EG and its interaction with SiC substrate. All the Raman bands of EG blue shift from that of bulk graphite and graphene made by micromechanical cleavage, which was attributed to the compressive strain induced by the substrate. A model containing 13 x 13 honeycomb lattice cells of graphene on carbon nanomesh was constructed to explain the origin of strain. The lattice mismatch between graphene layer and substrate causes the compressive stress of 2.27 GPa on graphene. We also demonstrate that the electronic structures of EG grown on Si and C terminated SiC substrates are quite different. Our experimental results shed light on the interaction between graphene and SiC substrate that are critical to the future applications of EG.Comment: 20 pages, 5 figure

Experimental observation of the crystallization of a paired holon state

A new excitation is observed at 201 meV in the doped-hole ladder cuprate Sr$_{14}$Cu$_{24}$O$_{41}$, using ultraviolet resonance Raman scattering with incident light at 3.7 eV polarized along the direction of the rungs. The excitation is found to be of charge nature, with a temperature independent excitation energy, and can be understood via an intra-ladder pair-breaking process. The intensity tracks closely the order parameter of the charge density wave in the ladder (CDW$_L$), but persists above the CDW$_L$ transition temperature ($T_{CDW_L}$), indicating a strong local pairing above $T_{CDW_L}$. The 201 meV excitation vanishes in La$_{6}$Ca$_{8}$Cu$_{24}$O$_{41+\delta}$, and La$_{5}$Ca$_{9}$Cu$_{24}$O$_{41}$ which are samples with no holes in the ladders. Our results suggest that the doped holes in the ladder are composite bosons consisting of paired holons that order below $T_{CDW}$.Comment: Accepted for publication in Physical Review Letters (4 figures

Oxygen Electromigration and Energy Band Reconstruction Induced by Electrolyte Field Effect at Oxide Interfaces

Electrolyte gating is a powerful means for tuning the carrier density and exploring the resultant modulation of novel properties on solid surfaces. However, the mechanism, especially its effect on the oxygen migration and electrostatic charging at the oxide heterostructures, is still unclear. Here we explore the electrolyte gating on oxygen-deficient interfaces between SrTiO3 (STO) crystals and LaAlO3 (LAO) overlayer through the measurements of electrical transport, X-ray absorption spectroscopy (XAS) and photoluminescence (PL) spectra. We found that oxygen vacancies (Ovac) were filled selectively and irreversibly after gating due to oxygen electromigration at the amorphous LAO/STO interface, resulting in a reconstruction of its interfacial band structure. Because of the filling of Ovac, the amorphous interface also showed an enhanced electron mobility and quantum oscillation of the conductance. Further, the filling effect could be controlled by the degree of the crystallinity of the LAO overlayer by varying the growth temperatures. Our results reveal the different effects induced by electrolyte gating, providing further clues to understand the mechanism of electrolyte gating on buried interfaces and also opening a new avenue for constructing high-mobility oxide interfaces.Comment: 5 figures; Supplementary materials included at the end of the main tex

EUS assessment for intermediate risk of choledocholithiasis after a negative magnetic resonance cholangiopancreatography

© 2020 SPRING MEDIA PUBLISHING CO. LTD | PUBLISHED BY WOLTERS KLUWER - MEDKNOW 291. Background and Aims: Guidelines recommend either EUS or magnetic resonance cholangiopancreatography (MRCP) for intermediate risk of choledocholithiasis. There is a lack of evidence that supports proceeding with EUS if the MRCP is negative and if clinical suspicion still exists. Methods: This is a retrospective study of all patients who underwent EUS to assess for choledocholithiasis at a tertiary care referral center from July 2013 to October 2019. Results: A total of 593 patients underwent EUS for evaluation for choledocholithiasis. Of the 593 patients, 35.2% (209/593) had an MRCP. 73.2% (153/209) had a negative MRCP while 26.8% (56/209) had a positive MRCP. Of the group of patients who underwent EUS with a negative MRCP, 15% (23/153) were positive for choledocholithiasis on EUS. Of these, 91% (21/23) were also positive for sludge or stones on endoscopic retrograde cholangiopancreatography and thus 14% (21/153) of the EUS were \u27true positives.\u27 There were no clinical or laboratory factors predictive of choledocholithiasis on univariate analysis in the EUS plus negative MRCP group. When further analyzing the MRCP negative group into MRCP-/EUS+ and MRCP-/EUS-subgroups, a total bilirubin \u3e3 mg/dL predicted a bile duct stone (55% vs. 32%, P = 0.05). Conclusion: The diagnostic yield of EUS for suspected choledocholithiasis in the setting of a negative MRCP is 14% in our cohort. EUS should be considered in patients with intermediate risk of choledocholithiasis with a negative MRCP if the clinical suspicion is still present, and especially if the total bilirubin is above 3 mg/dL

Cationic vacancy induced room-temperature ferromagnetism in transparent conducting anatase Ti_{1-x}Ta_xO_2 (x~0.05) thin films

We report room-temperature ferromagnetism in highly conducting transparent anatase Ti1-xTaxO2 (x~0.05) thin films grown by pulsed laser deposition on LaAlO3 substrates. Rutherford backscattering spectrometry (RBS), x-ray diffraction (XRD), proton induced x-ray emission (PIXE), x-ray absorption spectroscopy (XAS) and time-of-flight secondary ion mass spectrometry (TOF-SIMS) indicated negligible magnetic contaminants in the films. The presence of ferromagnetism with concomitant large carrier densities was determined by a combination of superconducting quantum interference device (SQUID) magnetometry, electrical transport measurements, soft x-ray magnetic circular dichroism (SXMCD), XAS, and optical magnetic circular dichroism (OMCD) and was supported by first-principle calculations. SXMCD and XAS measurements revealed a 90% contribution to ferromagnetism from the Ti ions and a 10% contribution from the O ions. RBS/channelling measurements show complete Ta substitution in the Ti sites though carrier activation was only 50% at 5% Ta concentration implying compensation by cationic defects. The role of Ti vacancy and Ti3+ was studied via XAS and x-ray photoemission spectroscopy (XPS) respectively. It was found that in films with strong ferromagnetism, the Ti vacancy signal was strong while Ti3+ signal was absent. We propose (in the absence of any obvious exchange mechanisms) that the localised magnetic moments, Ti vacancy sites, are ferromagnetically ordered by itinerant carriers. Cationic-defect-induced magnetism is an alternative route to ferromagnetism in wide-band-gap semiconducting oxides without any magnetic elements.Comment: 21 pages, 10 figures, to appear in Philosophical Transaction - Royal Soc.

Direct observation of anisotropic small-hole polarons in an orthorhombic structure of BiVO₄ films

Here, we report an anisotropic small-hole polaron in an orthorhombic structure of BiVO₄ films grown by pulsed-laser deposition on yttrium-doped zirconium oxide substrate. The polaronic state and electronic structure of BiVO₄ films are revealed using a combination of polarization-dependent x-ray absorption spectroscopy at VL[subscript 3,2] edges, spectroscopic ellipsometry, x-ray photoemission spectroscopies, and high-resolution x-ray diffraction with the support of first-principles calculations. We find that in the orthorhombic phase, which is slightly different from the conventional pucherite structure, the unoccupied V 3d orbitals and charge inhomogeneities lead to an anisotropic small-hole polaron state. Our result shows the importance of the interplay of charge and lattice for the formation of a hole polaronic state, which has a significant impact in the electrical conductivity of BiVO₄, hence its potential use as a photoanode for water splitting

Using Tracker as a Pedagogical Tool for Understanding Projectile Motion

This paper reports the use of Tracker as a pedagogical tool in the effective learning and teaching of projectile motion in physics. When computer model building learning processes is supported and driven by video analysis data, this free Open Source Physics (OSP) tool can provide opportunities for students to engage in active inquiry-based learning. We discuss the pedagogical use of Tracker to address some common misconceptions of projectile motion by allowing students to test their hypothesis by juxtaposing their mental models against the analysis of real life videos. Initial research findings suggest that allowing learners to relate abstract physics concepts to real life through coupling computer modeling with traditional video analysis could be an innovative and effective way to learn projectile motion. 2015 Resources: http://iwant2study.org/ospsg/index.php/interactive-resources/physics/02-newtonian-mechanics/01-kinematics/174-projectile-motionComment: 9 pages, 9 figures; http://iopscience.iop.org/0031-9120/47/4/44