Electronic band structure

Electronic transport in ferromagnetic ballistic conductors is predicted to exhibit ballistic anisotropic magnetoresistance—a change in the ballistic conductance with the direction of magnetization. This phenomenon originates from the effect of the spin-orbit interaction on the electronic band structure which leads to a change in the number of bands crossing the Fermi energy when the magnetization direction changes. We illustrate the

The electronic band structure of the InAs-GaSb superlattice is studied within the localized-orbital framework by the renormalization method. The tight-binding Hamiltonian includes spin-orbit coupling and an accurate description of the composing crystals near relevant band edges. The tight-binding renormalization-group method is described in detail, and is shown to be conceptually simple and operatively efficient. The superlattice band structure is calculated

A term first coined by Mott back in 1968 a `pseudogap' is the depletion of the electronic density of states at the Fermi level, and pseudogaps have been observed in many systems. However, since the discovery of the high temperature superconductors (HTSC) in 1986, the central role attributed to the pseudogap in these systems has meant that by many researchers now associate the term pseudogap exclusively with the HTSC phenomenon. Recently, the problem has got a lot of new attention with the rediscovery of two distinct energy scales (`two-gap scenario') and charge density waves patterns in the cuprates. Despite many excellent reviews on the pseudogap phenomenon in HTSC, published from its very discovery up to now, the mechanism of the pseudogap and its relation to superconductivity are still open questions. The present review represents a contribution dealing with the pseudogap, focusing on results from angle resolved photoemission spectroscopy (ARPES) and ends up with the conclusion that the pseudogap in cuprates is a complex phenomenon which includes at least three different `intertwined' orders: spin and charge density waves and preformed pairs, which appears in different parts of the phase diagram. The density waves in cuprates are competing to superconductivity for the electronic states but, on the other hand, should drive the electronic structure to vicinity of Lifshitz transition, that could be a key similarity between the superconducting cuprates and iron based superconductors. One may also note that since the pseudogap in cuprates has multiple origins there is no need to recoin the term suggested by Mott.

Based on non-spin-polarized electronic band structure calculations, we examined why the electronic structure of a semi-Heusler compound ABX has the 18-electron band gap, why 17-and 19-electron ABX compounds can be weakly ferromagnetic based on the Stoner criterion, and how the ferromagnetism of the 22-electron ABX compounds differs from that of the 17- and 19-electron analogs. To a first approximation, the electronic structure of ABX with 18 or more valence electrons is described in terms of the d10 ion for B, the s2p6 ion for X, and the dn ion for A (n=0, 1 and 4 for the case of 18, 19 and 22 valence electrons, respectively). Even for a 17-electron ABX compound the d-electron count for the electronegative transition metal B is close to d10. The ferromagnetism of the 17- and 19-electron ABX compounds is explained in terms of the Stoner criterion, and that the 22-electron ABX compounds by the strong tendency for the d-electrons of the d4 ion to localize.

Ab-initio methods have been employed to investigate the electronic and elastic properties of beryllium chalcogenides (namely BeS, BeSe and BeTe). The electron momentum density, autocorrelation function and energy band gap have been computed using the linear combination of atomic orbitals method. Using the full potential linearized augmented plane-wave and projector-augmented wave methods, the energy bands and density of states (DOS) along with elastic properties are also calculated. The electronic band structure, total and partial DOS and elastic moduli obtained from the present calculations are found to be in good agreement with available earlier data. The calculated valence band width, equal valence electron density curve and bulk modulus confirm the trend of ionicity BeS>BeSe>BeTe.

The discovery of carbon nanotubes by Iijima in 1991 has created a torrent of new research activities. Research on carbon nanotubes ranges from studying their fundamental properties, such as their electron band structure and plasma frequencies, to developing new applications, such as self-assembled nano-circuits and field emission displays. Robust models are now needed to enable a better understanding of the electronic response of carbon nanotubes. We use timedependent density functional theory to derive a two-fluid two-dimensional (2D) hydrodynamic model describing the collective response of a multiwalled carbon nanotube with dielectric media embedded inside or surrounding the nanotube. We study plasmon hybridization of the nanotube system in the UV range, the stopping force for ion channelling, the dynamical image potential for fast ions, channelled diclusters and point dipoles, and the energy loss for ions with oblique trajectories. Comparisons are made of results obtained from th...

We present a theoretical study of the structure-property correlation in gallium ferrite, based on the first principles calculations followed by a subsequent comparison with the experiments. Local spin density approximation (LSDA+U) of the density functional theory has been used to calculate the ground state structure, electronic band structure, density of states and Born effective charges. Calculations reveal that the ground state structure is orthorhombic Pc21n having A-type antiferromagnetic spin configuration, with lattice parameters matching well with those obtained experimentally. Plots of partial density of states of constituent ions exhibit noticeable hybridization of Fe 3d, Ga 4s, Ga 4p and O 2p states. However, the calculated charge density and electron localization function show largely ionic character of the Ga/Fe-O bonds which is also supported by lack of any significant anomaly in the calculated Born effective charges with respect to the corresponding nominal ionic charges. The calculations show a spontaneous polarization of ~ 59 microC/cm^2 along b-axis which is largely due to asymmetrically placed Ga1, Fe1, O1, O2 and O6 ions.

This review examines the properties of graphene from an experimental perspective. The intent is to review the most important experimental results at a level of detail appropriate for new graduate students who are interested in a general overview of the fascinating properties of graphene. While some introductory theoretical concepts are provided, including a discussion of the electronic band structure and phonon dispersion, the main emphasis is on describing relevant experiments and important results as well as some of the novel applications of graphene. In particular, this review covers graphene synthesis and characterization, field-effect behavior, electronic transport properties, magneto-transport, integer and fractional quantum Hall effects, mechanical properties, transistors, optoelectronics, graphene-based sensors, and biosensors. This approach attempts to highlight both the means by which the current understanding of graphene has come about and some tools for future contributions.

A full-band Cellular Monte Carlo (CMC) approach is applied to the simulation of electron transport in AlGaN/GaN HEMTs with quantum corrections included via the effective potential method. The best fit Gaussian parameters of the effective potential method for different Al contents and gate biases are calculated from the equilibrium electron density. The extracted parameters are used for quantum corrections included in the full-band CMC device simulator. The charge set-back from the interface is clearly observed. However, the overall current of the device is close to the classical solution due to the dominance of polarization charge.