Band gaps in diamond-graphite hybrids

The HOMO-LUMO gaps have been estimated in a graphite-like sp(2) carbon network with a progressive increase in the fraction of sp(3) carbons, taking into account several possible structural alternatives for each composition. The gap is shown to increase exponentially with the fraction of sp(3) carbons. Accordingly, the gap in a diamond-like sp(3) network decreases with the increase in the fraction of sp(2) carbons.

Electronic structure of early 3d-transition-metal oxides by analysis of the 2p core-level photoemission spectra

The electronic structures of a wide range of early transition-metal (TM) compounds, including Ti and V oxides with metal valences ranging from 2+ to 5+ and formal d-electron numbers ranging from 0 to 2, have been investigated by a configuration-interaction cluster model analysis of the core-level metal 2p x-ray photoemission spectra (XPS). Inelastic energy-loss backgrounds calculated from experimentally measured electron-energy-loss spectra (EELS) were subtracted from the XPS spectra to remove extrinsic loss features. Parameter values deduced for the charge-transfer energy Delta and the d-d Coulomb repulsion energy U are shown to continue the systematic trends established previously for the late TM compounds, giving support to a charge-transfer mechanism for the satellite structures. The early TM compounds are characterized by a large metal d-ligand p hybridization energy, resulting in strong covalency in these compounds. Values for Delta and U suggest that many early TM compounds should be reclassified as intermediate between the charge-transfer regime and the Mott-Hubbard regime.

Investigation of the L3-M45M45 Auger spectra of Cu, Cu2O and CuO

The authors report a comparative study of the L3-M45M45 Auger spectra of Cu, Cu2O and CuO. The large intensity of the uncorrelated two-hole band-like spectrum in the L3-M45M45 Auger spectra of Cu2O and CuO and the spectral shapes for these transitions indicate strong Cu 3d-O 2p hybridization in the oxides. The L2-L3M45 CK rates obtained for these compounds indicate the stability of the Cu 3d level with increasing oxidation state of Cu. They also provide a quantitative estimate of the contributions of the different processes that lead to the formation of the L3-M45M45 Auger satellite in Cu, Cu2O and CuO.

A Procedure for the 3D Reconstruction of Biological Organs from 2D Image Sequences

In this work, a procedure is presented for the reconstruction of biological organs from image sequences obtained through CT-scan. Although commercial software, which can accomplish this task, are readily available, the procedure presented here needs only free software. The procedure has been applied to reconstruct a liver from the scan data available in literature. 3D biological organs obtained this way can be used for the finite element analysis of biological organs and this has been demonstrated by carrying out an FE analysis on the reconstructed liver.

Photoemission study of pyrite-type transition-metal chalcogenides MS2-xSex (M=Fe, Co, Ni)

The electronic structures of pyrite-type transition-metal chalcogenides MS2-xSex (M = Fe, Co, Ni) has been investigated by photoemission and inverse-photoemission spectroscopy. The valence-band spectrum of ferromagnetic CoS2 does not show exchange splitting of the Co 3d peak, in disagreement with band-structure calculations. High-resolution photoemission spectra of NiS1.55Se0.45 shows spectral weight transfer from low (similar or equal to 50 meV) to high (0.2-0.5 eV) binding energies, in going from the metallic to the insulating phase.

Temperature-dependent valence-band photoemission spectra of La1-xSrxMnO3

We have studied the temperature dependence of the photoemission spectra of La1-xSrxMnO3 (x=0.0, 0.2, and 0.4) and found that the spectral line shape dramatically changes in the entire valence-band region, particularly for x=0.2 and 0.4. By contrast, the spectra of La0.6Sr0.4CoO3 show no significant temperature dependence. From comparison between the temperature-and composition-(x) dependent spectral changes and the temperature-composition phase diagram of La1-xSrxMnO3, we suggest that the changes are related to the degree of hole localization on oxygen p orbitals, which is influenced by electron-lattice coupling and magnetic correlations.

Vibronic model for band A emission in diamond

In this paper, recent results on band A emission in chemical vapor-deposited diamond films have been analyzed within a vibronic model. The blue-band A (2.8 eV) spectra from undoped diamond films grown by two different techniques have been simulated using the same phonon density distribution g(Omega) and Huang-Rhys factor (S). The same g(Omega) at higher S gives a good fit with the green band A (2.32 eV) as well. This model provides a reasonable alternative approach to the long standing donor-acceptor pair recombination model.

Zn incorporation and band gap shrinkage in p-type GaAs

Dimethylzine (DMZn) was used as a p-type dopant in GaAs grown by low pressure metalorganic vapor phase epitaxy using trimethylgallium and arsine (AsH3) as source materials, The hole carrier concentrations and zinc (Zn) incorporation efficiency are studied by using the Hall effect, electrochemical capacitance voltage profiler and photoluminescence (PL) spectroscopy, The influence of growth parameters such as DMZn mole fraction, growth temperature, and AsH, mole fraction on the Zn incorporation have been studied. The hole concentration increases with increasing DMZn and AsH3 mole fraction and decreases with increasing growth temperature. This can be explained by vacancy control model. The PL experiments were carried out as a function of hole concentration (10(17)-1.5 x 10(20) cm(-3)). The main peak shifted to lower energy and the full width at half maximum (FWHM) increases with increasing hole concentrations. We have obtained an empirical relation for FWHM of PL, Delta E(p)(eV) = 1.15 x 10(-8)p(1/3). We also obtained an empirical relation for the band gap shrinkage, Delta E-g in Zn doped GaAs as a function of hole concentration. The value of Delta E-g(eV) = -2.75 x 10(-8)p(1/3), indicates a significant band gap shrinkage at high doping levels, These relations are considered to provide a useful tool to determine the hole concentration in Zn doped GaAs by low temperature PL measurement. The hole concentration increases with increasing AsH3 mole fraction and the main peak is shifted to a lower energy side. This can be explained also by the vacancy control model. As the hole concentration is increased above 3.8 x 10(18) cm(-3), a shoulder peak separated from the main peak was observed in the PL spectra and disappears at higher concentrations. (C) 1997 American Institute of Physics.

Magnetism in MnPSe3: a layered 3d(5) antiferromagnet with unusually large XY anisotropy

The anisotropic magnetic susceptibilities of single crystals of the isostructural layered antiferromagnets, MnPS3 (T-N = 78 K) and MnPSe3 (T-N = 74 K), have been measured as functions of temperature. In both compounds, divalent manganese is present in the high-spin S = 5/2 state. The anisotropies in the susceptibilities of the two are, however, very different; while the susceptibility of MnPS3 is isotropic, that of MnPSe3 shows a large XY anisotropy, unusual for a manganese compound. The anisotropic susceptibilities are described by the zero-field spin Hamiltonian: H = DSiz2 - Sigma J(ij).(S) over right arrow (S) over right arrow(j) with the quadratic single-ion anisotropy term introducing anisotropy in an otherwise isotropic situation. The exchange J and the single-ion zero-field-splitting (ZFS) parameter D were evaluated using the correlated effective-field theory of Lines. For MnPSe3, J/k = -5.29 K and D/k = 26.6 K, while for isotropic MnPS3, J/k = -8.1 K. It is suggested that the large value of the ZFS parameter for MnPSe3 as compared to MnPS3 could be due to the large ligand spin-orbit contribution of the heavier selenium.

Nonlinear electrical conduction and broad band noise in the charge-ordered rare earth manganate Nd0.5Ca0.5MnO3

Measurements of the dc transport properties and the low-frequency conductivity noise in films of charge-ordered Nd0.5Ca0.5MnO3 grown on Si substrate reveal the existence of a threshold field in the charge-ordered regime beyond which strong nonlinear conduction sets in along with a large broad band conductivity noise. Threshold-dependent conduction disappears as T --> T-CO, the charge-ordering temperature. This observation suggests that the charge-ordered state gets depinned at the onset of the nonlinear conduction. (C) 1999 American Institute of Physics. [S0003-6951(99)05247-X].

Electronic structure of In1-xMnxAs studied by photoemission spectroscopy: Comparison with Ga1-xMnxAs

We have investigated the electronic structure of the p-type diluted magnetic semiconductor In1-xMnxAs by photoemission spectroscopy. The Mn 3d partial density of states is found to be basically similar to that of Ga1-xMnxAs. However, the impurity-band-like states near the top of the valence band have not been observed by angle-resolved photoemission spectroscopy unlike Ga1-xMnxAs. This difference would explain the difference in transport, magnetic and optical properties of In1-xMnxAs and Ga1-xMnxAs. The different electronic structures are attributed to the weaker Mn 3d-As 4p hybridization in In1-xMnxAs than in Ga1-xMnxAs.

Understanding the building-up process of three dimensional open-framework metal phosphates: Acid degradation of the 3D structures to lower dimensional structures

Acid degradation of 3D zinc phosphates primarily yields a one-dimensional ladder compound, an observation that is significant considering that the latter forms 3D structures on heating in water.

Band Structures of Bilayer Graphene Superlattices

We formulate a low energy effective Hamiltonian to study superlattices in bilayer graphene (BLG) using a minimal model which supports quadratic band touching points. We show that a one dimensional (1D) periodic modulation of the chemical potential or the electric field perpendicular to the layers leads to the generation of zero-energy anisotropic massless Dirac fermions and finite energy Dirac points with tunable velocities. The electric field superlattice maps onto a coupled chain model comprised of ``topological'' edge modes. 2D superlattice modulations are shown to lead to gaps on the mini-Brillouin zone boundary but do not, for certain symmetries, gap out the quadratic band touching point. Such potential variations, induced by impurities and rippling in biased BLG, could lead to subgap modes which are argued to be relevant to understanding transport measurements.

Wavelet Transform Codec for Fast Retrieval of Slices of 3D Objects

We propose a method to encode a 3D magnetic resonance image data and a decoder in such way that fast access to any 2D image is possible by decoding only the corresponding information from each subband image and thus provides minimum decoding time. This will be of immense use for medical community, because most of the PET and MRI data are volumetric data. Preprocessing is carried out at every level before wavelet transformation, to enable easier identification of coefficients from each subband image. Inclusion of special characters in the bit stream facilitates access to corresponding information from the encoded data. Results are taken by performing Daub4 along x (row), y (column) direction and Haar along z (slice) direction. Comparable results are achieved with the existing technique. In addition to that decoding time is reduced by 1.98 times. Arithmetic coding is used to encode corresponding information independently