The Kiloparsec-scale structure of 3C 286

We present radio images of the compact steep spectrum (CSS) quasar 3C 286 acquired with the Very Large Array (VLA) at 8.4 and 22.5 GHz. The source exhibits a two-sided core-jet structure with a bright central component and two extended components one to the east (P.A. 100degrees) and another to the southwest (P.A. -116degrees). From the compact core, an extension runs towards the southwest component up to similar to 0.7 arcsecond. The emission between the primary central component and the southwest component exhibits a knotty structure. A gradual change of the jet position angles from -135degrees to -120degrees in the inner southwest jet suggests a local bend. The position angle changes of the major eastern components E2 and E1 suggest that the eastern jet likely follows a curved trace. The bends in the jet trace may be associated with a relativistic precession or some interaction between the jet and the ambient matter. A mean spectral index of alpha(8.4)(22.5) similar to -0.76 (S-nu proportional to nu(alpha)) is estimated for the core component. Steep spectra are also obtained for the extended southwest component (2.6", P.A. -116degrees) and eastern component (0.8", P.A. 100degrees), with alpha(8.4)(22.5) similar to -0.88 and alpha(8.4)(22.5) similar to -1.79, respectively. The radio morphologies and spectral index distributions suggest that the core seen in our images is likely to be the beamed inner jet while the real nucleus is dimmed by it beaming away from us.

Band crossing in isovalent semiconductor alloys with large size mismatch: First-principles calculations of the electronic structure of Bi and N incorporated GaAs

For large size- and chemical-mismatched isovalent semiconductor alloys, such as N and Bi substitution on As sites in GaAs, isovalent defect levels or defect bands are introduced. The evolution of the defect states as a function of the alloy concentration is usually described by the popular phenomenological band anticrossing (BAC) model. Using first-principles band-structure calculations we show that at the impurity limit the N-(Bi)-induced impurity level is above (below) the conduction- (valence-) band edge of GaAs. These trends reverse at high concentration, i.e., the conduction-band edge of GaAs1-xNx becomes an N-derived state and the valence-band edge of GaAs1-xBix becomes a Bi-derived state, as expected from their band characters. We show that this band crossing phenomenon cannot be described by the popular BAC model but can be naturally explained by a simple band broadening picture.

BAND-STRUCTURE OF MG1-XZNXSYSE1-Y

The empirical pseudopotential method within the virtual crystal approximation is used to calculate the band structure of Mg1-xZnySySe1-y, which has recently been proved to be a potential semiconductor material for optoelectronic device applications in the blue spectral region. It is shown that MgZnSSe can be a direct or an indirect semiconductor depending on the alloy composition. Electron and hole effective masses are calculated for different compositions. Polynomial approximations are obtained for both the energy gap and the effective mass as functions of alloy composition at the GAMMA valley. This information will be useful for the future design of blue wavelength optoelectronic devices as well as for assessment of their properties.

THEORY OF THE ELECTRONIC-STRUCTURE OF POROUS SI

A theoretical model for the electronic structure of porous Si is presented. Three geometries of porous Si (wire with square cross section, pore with square cross section, and pore with circular cross section) along both the [001] and [110] directions are considered. It is found that the confinement geometry affects decisively the ordering of conduction-band states. Due to the quantum confinement effect, there is a mixing between the bulk X and GAMMA states, resulting in finite optical transition matrix elements, but smaller than the usual direct transition matrix elements by a factor of 10(-3). We found that the strengths of optical transitions are sensitive to the geometry of the structure. For (001) porous Si the structure with circular pores has much stronger optical transitions compared to the other two structures and it may play an important role in the observed luminescence. For this structure the energy difference between the direct and the indirect conduction-band minima is very small. Thus it is possible to observe photoluminescence from the indirect minimum at room temperature. For (110) porous Si of similar size of cross section the energy gap is smaller than that of (001) porous Si. The optical transitions for all three structures of (110) porous Si tend to be much stronger along the axis than perpendicular to the axis.

ELECTRONIC-STRUCTURE OF ND2FE17N

The electronic structures of ternary compound Nd2Fe17N with N atoms on 9e, 3b, and 18g sites are calculated and compared. The local moments on different Fe sites are in good agreement with experiments. The mechanism of increasing Curie temperature by N doping is checked by additional calculations with lattice expansion. The results show that the change in interatomic interaction is more important than the lattice expansion effect.

ELECTRONIC AND MAGNETIC-STRUCTURE OF THE TERNARY COMPOUND ND2FE17N

The electronic and the magnetic structure of the Nd2Fe17N1 phase in the family of Nd-Fe-N ternary compounds have been calculated using the first-principles, spin-polarized orthogonalized linear-combination-of-atomic-orbitals method. Results are presented in the form of site-decomposed and spin-projected partial density of states. The occupation sites of the three N atoms are determined by an average radial distribution of all possible N site configurations. Both cases of N occupying the 3b and the 18g sites are studied. The results indicate that the 6c Fe sites have the maximum and the 18h Fe sites have the minimum local moments. This is in good agreement with experiment. It is concluded that the influence on the local moment due to lattice expansion is less important compared to that due to interatomic interaction between the N atom and its neighbors. The results also show the important role of N atoms in raising the Curie temperature of this compound.

Electronic structure of microporous titanosilicate ETS-10

The electronic structure of a microporous titanosilicate framework, ETS-10 is calculated by means of a first-principles self-consistent method. It is shown that without the inclusion of the alkali atoms whose positions in the framework are unknown, ETS-10 is an electron deficient system with 32 electrons per unit cell missing at the top of an otherwise semiconductor-like band structure. The calculated density of slates are resolved into partial components. It is shown that the states of the missing electrons primarily originate from the Ti-O bond. The local density of states of the Ti-3d orbitals in the ETS-10 framework is quite different from the perovskite BaTiO3. The possibilities of ETS-10 crystal being ferroelectric or having other interesting properties are discussed.

Pressure dependence of the electronic subband structure of strained In0.2Ga0.8As/GaAs MQWs

We have measured low-temperature photoluminescence (PL) and optical absorption spectra of an In0.2Ga0.8As/GaAs multiple quantum well (MQW) structure at pressures up to 8 GPa. Below 4.9 GPa, PL shows only the emission of the n = 1 heavy-hole (HH) exciton. Three new X-related PL bands appear at higher pressures. They are assigned to spatially indirect (type-II) and direct (type-I) transitions from X(Z) states in GaAs and X(XY) valleys of InGaAs, respectively, to the HH subband of the wells. From the PL data we obtain a valence band offset of 80 meV for the strained In0.2Ga0.8As/GaAs MQW system. Absorption spectra show three features corresponding to direct exciton transitions in the quantum wells. In the pressure range of 4.5 to 5.5 GPa an additional pronounced feature is apparent in absorption, which is attributed to the pseudo-direct transition between a HH subband and the folded X(Z) states of the wells. This gives the first clear evidence for an enhanced strength of indirect optical transitions due to the breakdown of translational invariance at the heterointerfaces in MQWs.

Calculation of the band structure of semiconductor quantum wells using scattering matrices

The transfer-matrix method widely used in the calculation of the band structure of semiconductor quantum wells is found to have limitations due to its intrinsic numerical instability. It is pointed out that the numerical instability arises from free-propagating transfer matrices. A new scattering-matrix method is developed for the multiple-band Kane model within the envelope-function approximation. Compared with the transfer-matrix method, the proposed algorithm is found to be more efficient and stable. A four-band Kane model is used to check the validity of the method and the results are found to be in good agreement with earlier calculations.

Electronic structure of quantum spheres and quantum wires

The electronic structures of quantum spheres and quantum wires are studied in the framework of the effective-mass theory. The spin-orbital coupling (SOC) effect is taken into account. On the basis of the zero SOC limit and strong SOC limit the hole quantum energy levels as functions of SOC parameter lambda are obtained. There is a fan region in which the ground and low-lying excited states approach those in the strong SOC limit as lambda increases. Besides, some theoretical results on the corrugated superlattices (CSL) are given.

A new structure of In-based ohmic contacts to n-type GaAs

Electrical, structural and reaction characteristics of In-based ohmic contacts to n-GaAs were studied. Attempts were made to form a low-band-gap interfacial phase of InGaAs to reduce the barrier height at the metal/semiconductor junction, thus yielding low-resistance, highly reliable contacts. The contacts were fabricated by e-beam sputtering Ni, NiIn and Ge targets on VPE-grown n(+)-GaAs film (approximate to 1 mu m, 2 x 10(18) cm(-3)) in ultrahigh vacuum as the structure of Ni(200 Angstrom)/NiIn(100 Angstrom)/Ge(40 Angstrom)/n(+)-GaAs/SI-GaAs, followed by rapid thermal annealing at various temperatures (500-900 degrees C). In this structure, a very thin layer of Ge was employed to play the role of heavily doping donors and diffusion limiters between In and the GaAs substrate. Indium was deposited by sputtering NiIn alloy instead of pure In in order to ensure In atoms to be distributed uniformly in the substrate; nickel was chosen to consume the excess indium and form a high-temperature alloy of Ni3In. The lowest specific contact resistivity (rho(c)) of (1.5 +/- 0.5)x 10(-6) cm(2) measured by the Transmission Line Method (TLM) was obtained after annealing at 700 degrees C for 10 s. Auger sputtering depth profile and Transmission Electron Microscopy (TEM) were used to analyze the interfacial microstructure. By correlating the interfacial microstructure to the electronical properties, InxGa1-xAs phases with a large fractional area grown epitaxially on GaAs were found to be essential for reduction of the contact resistance.