Modeling of Schottky Barrier Height and Volt-Amper Characteristics for Transition Metal-solid Solution (SіC)1 – x(AlN)x

Proposed nonlinear defect concentration model of metal-semiconductor contact. It is shown that taking into account nonlinear dependence of the Fermi energy EF defect concentration leads to higher barrier Schottky in 15-25 %. Calculated Volt-Amper characteristics of the diodes are consistent with experiment

Manifestations of fine features of the density of states in the transport properties of KOs2O6

We performed high-pressure transport measurements on high-quality single crystals of KOs2O6, a beta-pyrochlore superconductor. While the resistivity at high temperatures might approach saturation, there is no sign of saturation at low temperatures, down to the superconducting phase. The anomalous resistivity is accompanied by a nonmetallic behavior in the thermoelectric power (TEP) up to temperatures of at least 700 K, which also exhibits a broad hump with a maximum at 60 K. The pressure influences mostly the low-energy electronic excitations. A simple band model based on enhanced density of states in a narrow window around the Fermi energy (EF) explains the main features of this unconventional behavior in the transport coefficients and its evolution under pressure

The Magnetized Electron Gas in terms of Hurwitz Zeta Functions

We obtain explicit expressions for thermodynamic quantities of a relativistic degenerate free electron gas in a magnetic field in terms of Hurwitz Zeta functions. The formulation allows for systematic expansion in all regimes. Three energy scales appear naturally in the degenerate relativistic gas: the Fermi energy Ef, the temperature T and an energy related to the magnetic field or Landau level spacing, eB/Ef. We study the cold and warm scenarios, T << eB/Ef and eB/Ef << T, respectively. We reproduce the oscillations of the magnetization as a function of the field in the cold regime and the dilution of them in the warm regime.Comment: 33 pages, 6 figures, LaTeX 2e, uses epsf. v2: References added, minor additions to content

Role of Boron p-Electrons and Holes in Superconducting MgB2, and other Diborides: A Fully-Relaxed, Full-Potential Electronic Structure Study

We present the results of fully-relaxed, full-potential electronic structure calculations for the new superconductor MgB2, and BeB2, NaB2, and AlB2, using density-functional-based methods. Our results described in terms of (i) density of states (DOS), (ii) band-structure, and (iii) the DOS and the charge density around the Fermi energy EF, clearly show the importance of B p-band for superconductivity. In particular, we show that around EF, the charge density in MgB2, BeB2 and NaB2 is planar and is associated with the B plane. For BeB2 and NaB2, our results indicate qualitative similarities but significant quantitative differences in their electronic structure due to different lattice constants a and c.Comment: 4 pages, 4 figures, Submitted to Phys Rev. Lett. on March 6, 2001; resubmission on April 2

Structural and electronic properties of the metal-metal intramolecular junctions of single-walled carbon nanotubes

Several intramolecular junctions (IMJs) connecting two metallic (11, 8) and (9, 6) carbon nanotubes along their common axis have been realized by using a layer-divided technique to the nanotubes and introducing the topological defects. Atomic structure of each IMJ configuration is optimized with a combination of density-functional theory (DFT) and the universal force field (UFF) method, based upon which a four-orbital tight-binding calculation is made on its electronic properties. Different topological defect structures and their distributions on the IMJ interfaces have been found, showing decisive effects on the localized density of states, while the sigma-pi coupling effect is negligible near Fermi energy (EF). Finally, a new IMJ model has been proposed, which probably reflects a real atomic structure of the M-M IMJ observed in the experiment [Science 291, 97 (2001)].Comment: 11 pages and 3 figure

Octagonal defects at carbon nanotube junctions

We investigate knee-shaped junctions of semiconductor zigzag carbon nanotubes. Two dissimilar octagons appear at such junctions; one of them can reconstruct into a pair of pentagons. The junction with two octagons presents two degenerate localized states at Fermi energy (EF). The reconstructed junction has only one state near EF, indicating that these localized states are related to the octagonal defects. The inclusion of Coulomb interaction splits the localized states in the junction with two octagons, yielding an antiferromagnetic system

Ternary tetradymite compounds as topological insulators

Ternary tetradymites Bi2Te2S, Bi2Te2Se, and Bi2Se2Te are found to be stable, bulk topological insulators via theory, showing band inversion between group V and VI pz orbitals. We identify Bi2Se2Te as a good candidate to study massive Dirac fermions, with a (111) cleavage-surface-derived Dirac point (DP) isolated in the bulk-band gap at the Fermi energy (Ef)-like Bi2Se3 but with a spin texture alterable by layer chemistry. In contrast, Bi2Te2S and Bi2Te2Se (111) behave like Bi2Te3, with a DP below Ef buried in bulk bands. Bi2Te2S offers large bulk resistivity needed for devices