Search results for "Band structure"
showing 10 items of 215 documents
Observation of quantized subband states and evidence for surface electron accumulation in CdO from angle-resolved photoemission spectroscopy
2008
The electronic structure of well-ordered single-crystal thin films of CdO100 has been studied using angleresolved photoemission spectroscopy. Quantized electron subbands are observed above the valence-band maximum. The existence of these states provides evidence of an intrinsic electron accumulation space-charge layer near the CdO surface, an interpretation supported by coupled Poisson-Schrodinger calculations. The origin of the accumulation layer result is discussed in terms of the bulk band structure of CdO calculated using quasiparticle-corrected density-functional theory, which reveals that the conduction-band minimum at the Brillouin-zone center lies below the charge neutrality level.
Optimum Carrier Concentration in n-Type PbTe Thermoelectrics
2014
Taking La- and I-doped PbTe as an example, the current work shows the effects of optimizing the thermoelectric figure of merit, zT, by controlling the doping level. The high doping effectiveness allows the carrier concentration to be precisely designed and prepared to control the Fermi level. In addition to the Fermi energy tuning, La-doping modifies the conduction band, leading to an increase in the density of states effective mass that is confirmed by transport, infrared reflectance and hard X-ray photoelectron spectroscopy measurements. Taking such a band structure modification effect into account, the electrical transport properties can then be well-described by a self-consistent single…
Electronic Shell Structure and the Crystal Field Splitting in Simple Metals Clusters
1991
An upper limit for the number of atoms in metal clusters capable of exhibiting electronic shell structure has been estimated by comparing the energy difference between the highest occupied and the lowest unoccupied state with the crystal field splitting. The former is obtained by solving the Schrodinger equation for a spherical potential well with hard walls while the latter is obtained from the band structure of the solid. The results indicate that shell structures may persist in clusters containing as many as a million atoms.
Spin resolved photoemission study of Co(0001) films
1996
Abstract Thin ferromagnetic films are of great practical interest as they can exhibit a different magnetic behaviour compared to the bulk crystals due to, e.g., the surface anisotropy. The electronic and magnetic properties of thin cobalt films evaporated on W(110) have been investigated by means of angle and spin resolving photoelectron spectroscopy. The study was focused on electron spin polarization, spin resolved intensities and band structure behaviour in dependence of film thickness, excitation energy, and photoelectron detection angle. In order to interpret the experimental results, we have performed relativistic band structure calculations for the Co(0001) surface. The observed agre…
Two-dimensional electron gas at the LaAlO$_3$/SrTiO$_3$ inteface with a potential barrier
2015
We present a tight binding description of electronic properties of the interface between LaAlO$_3$ (LAO) and SrTiO$_3$ (STO). The description assumes LAO and STO perovskites as sets of atomic layers in the $x$-$y$ plane, which are weakly coupled by an interlayer hopping term along the $z$ axis. The interface is described by an additional potential, $U_0$, which simulates a planar defect. Physically, the interfacial potential can result from either a mechanical stress at the interface or other structural imperfections. We show that depending on the potential strength, charge carriers (electrons or holes) may form an energy band which is localized at the interface and is within the band gaps …
Unification of the electrical behavior of defects, impurities, and surface states in semiconductors: Virtual gap states in CdO
2009
In contrast to conventional semiconductors, native defects, hydrogen impurities, and surface states are all found to be donors in $n$-type CdO. Using this as a model system, the electrical behaviors of defects, dopants, and surface states in semiconductors are unified by a single energy level, the charge neutrality level, giving much insight into current materials and allowing a band-structure engineering scheme for obtaining desired custom electronic properties in new compound semiconductors.
Self-assembled three-dimensional inverted photonic crystals on a photonic chip
2017
Three dimensional photonic crystals (PhCs) exhibiting a full photonic band gap have high potential in optical signal processing and detector applications. However, the challenges in the integration of the 3D PhCs into photonic circuits have so far hindered their exploitation in real devices. This article demonstrates the fabrication of 3D PhCs exploiting the capillary directed self-assembly (CDSA) of monodisperse colloidal silica spheres, their inversion to silicon shells, and integration with silicon waveguides. The measured transmission characteristics agree with numerical predictions and provide strong indication of a full photonic band gap in the inverted 3D photonic crystals at wavelen…
Metal−Metal Bonding and Metallic Behavior in Some ABO2 Delafossites
1998
We present results of ab initio band structure calculations on some ABO2 delafossite oxides that have both the A and B sites occupied by transition metals. This class of materials includes insulators as well as some of the most conducting oxides. The calculations have been performed in order to understand the nature of the metallic and insulating states and the extensive metal−metal bonding displayed by these materials. The effect of polytypism on the electronic structure is examined. Among the interesting aspects of the electronic structure of these materials are the contributions from both A and B atoms to states near the Fermi energy and the highly disperse nature of bands derived from t…
Scanning Probe Microscopy Study of the Metal-Rich Layered Chalcogenides TaM2Te2 (M = Co, Ni)
1998
The compounds TaNi2Te2 and TaCo2Te2 have been examined by scanning tunneling and atomic force microscopy. The title phases crystallize in layered structures with metal slabs sandwiched by tellurium atoms. Scanning probe microscope images of the surfaces of these materials arise from the surface tellurium atoms anddepending on the experimental conditionscan show very different features. The images have been simulated through surface charge densities calculated within the Extended Huckel and LMTO frameworks.
The electronic structure of zircon-type orthovanadates: Effects of high-pressure and cation substitution
2012
The electronic structure of four ternary-metal oxides containing isolated vanadate ions is studied. Zircon-type YVO4, YbVO4, LuVO4, and NdVO4 are investigated by high-pressure optical-absorption measurements up to 20 GPa. First-principles calculations based on density-functional theory were also performed to analyze the electronic band structure as a function of pressure. The electronic structure near the Fermi level originates largely from molecular orbitals of the vanadate ion, but cation substitution influence these electronic states. The studied ortovanadates, with the exception of NdVO4, undergo a zircon-scheelite structural phase transition that causes a collapse of the band-gap energ…