Effect of partial site occupation on the magnetic properties of Nd2Fe17-xSix by supercell calculation

The magnetic properties of the Nd2Fe17-xSix intermetallic compounds are studied by means of spin-polarized supercell calculations in which the selected sites of substitution are close to the situations in real samples. It is shown that the average Fe moment increases with x and saturates near x = 3. This correlates quite well with the experimental dependence of Te on x. The difference between supercell and unit cell calculations are pointed out and the influence of Si atoms on the density of states of the nearby Fe atoms is emphasized. (C) 1997 American Institute of Physics.

X-Band GaN Power HEMTs with Power Density of 2.23W/mm Grown on Sapphire by MOCVD

The growth,fabrication,and characterization of 0.2μm gate-length AlGaN/GaN HEMTs,with a high mobility GaN thin layer as a channel,grown on (0001) sapphire substrates by MOCVD,are described.The unintentionally doped 2.5μm thick GaN epilayers grown with the same conditions as the GaN channel have a room temperature electron mobility of 741cm2/(V·s) at an electron concentration of 1.52×1016 cm-3.The resistivity of the thick GaN buffer layer is greater than 108Ω·cm at room temperature.The 50mm HEMT wafers grown on sapphire substrates show an average sheet resistance of 440.9Ω/□ with uniformity better than 96%.Devices of 0.2μm×40μm gate periphery exhibit a maximum extrinsic transconductance of 250mS/mm and a current gain cutoff frequency of77GHz.The AlGaN/GaN HEMTs with 0.8mm gate width display a total output power of 1.78W (2.23W/mm) and a linear gain of 13.3dB at 8GHz.The power devices also show a saturated current density as high as 1.07A/mm at a gate bias of 0.5V.

Optical properties of AIInGaN quaternary alloys

Carrier recombination dynamics in AlInGaN alloy has been studied by photoluminescence (PL) and time-resolved photoluminescence (TRPL). The fast redshift of PL peak energy is observed and well fitted by a physical model considering the thermal activation and transfer processes. This result provides evidence for the exciton localization in the quantum dot (QD)-like potentials in our AlInGaN alloy. The TRPL signals are found to be described by a stretched exponential function of exp[(-t/tau)(beta)], indicating the presence of a significant disorder in the material. The disorder is attributed to a randomly distributed quantum dots or clusters caused by indium fluctuations. By studying the dependence of the dispersive exponent 8 on the temperature and emission energy, we suggest that the exciton hopping dominate the diffusion of carriers localized in the disordered quantum dots. Furthermore, the localized states are found to have OD density of states up to 250 K, since the radiative lifetime remains almost unchanged with increasing temperature.

Observation of the resonant Raman behavior of individual single-walled carbon nanotubes

The different resonant Raman scattering process of single-walled carbon nanotubes (SWNTs) has been found between the Stokes and anti-Stokes sides of the radial breathing modes (RBMs), and this provides strong evidence that Raman spectra of some special diametric SWNTs are in resonance with their electronic transitions between the singularities in the one-dimensional electronic density of states in the valence and conduction bands, and other SWNTs axe beyond the resonant condition. Because of the coexistence of resonant and non-resonant Raman scattering processes for different diametric SWNTs, the relative intensity of each RBM does not reflect the proportion of a particular SWNT.

High power continuous-wave operation of self-organized In(Ga)As/GaAs quantum dot lasers

Quantum dot (QD) lasers are expected to have superior properties over conventional quantum well lasers due to a delta-function like density of states resulting from three dimensional quantum confinements. QD lasers can only be realized till significant improvements in uniformity of QDs with free of defects and increasing QD density as well in recent years. In this paper, we first briefly give a review on the techniques for preparing QDs, and emphasis on strain induced self-organized quantum dot growth. Secondly, self-organized In(Ga)As/GaAs, InAlAs/GaAlAs and InAs/InAlAs Qds grown on both GaAs and InP substrates with different orientations by using MBE and the Stranski-Krastanow (SK) growth mode at our labs are presented. Under optimizing the growth conditions such as growth temperature, V/III ratio, the amount of InAs, InxGa1-xAs, InxAl1-xAs coverage, the composition x etc., controlling the thickness of the strained layers, for example, just slightly larger than the critical thickness and choosing the substrate orientation or patterned substrates as well, the sheet density of ODs can reach as high as 10(11) cm(-2), and the dot size distribution is controlled to be less than 10% (see Fig. 1). Those are very important to obtain the lower threshold current density (J(th)) of the QD Laser. How to improve the dot lateral ordering and the dot vertical alignment for realizing lasing from the ground states of the QDs and further reducing the Jth Of the QD lasers are also described in detail. Thirdly based on the optimization of the band engineering design for QD laser and the structure geometry and growth conditions of QDs, a 1W continuous-wave (cw) laser operation of a single composite sheet or vertically coupled In(Ga)As quantum dots in a GaAs matrix (see Fig. 2) and a larger than 10W semiconductor laser module consisted nineteen QD laser diodes are demonstrated. The lifetime of the QD laser with an emitting wavelength around 960nm and 0.613W cw operation at room temperature is over than 3000 hrs, at this point the output power was only reduced to 0.83db. This is the best result as we know at moment. Finally the future trends and perspectives of the QD laser are also discussed.

Optical anisotropy of InAs submonolayer quantum wells in a (311) GaAs matrix

The steplike density of states obtained from reflectance-difference spectroscopy demonstrates that ultrathin InAs layers should be regarded as two-dimensional quantum wells rather than isolated clusters, even for the sample with only 1/3 monolayer InAs in (311)-oriented GaAs. The degree of anisotropy is within the intrinsic anisotropy of (311)-oriented ultrathin quantum wells, indicating that there is little structural or strain anisotropy in the InAs islands. (C) 1998 Elsevier Science B.V.

Fermi-Level Pinning at Metal/High-k Interface Influenced by Electron State Density of Metal Gate

The Fermi-level pinning (FLP) at the metal/high-k interface and its dependence on the electron state density of the metal gate are investigated. It is found that the FLP is largely determined by the distortion of the vacuum level of the metal which is quantitatively ruled by the electron state density of the metal. The physical origin of the vacuum level distortion of the metal is attributed to an image charge of the interface charge in the metal. Such results indicate that the effective work function of the metal/high-k stack is also governed by the electron state density of the metal.

Theoretical study of p-d hybridization in Co perovskite

The real-space recursion method and unrestricted Hartree-Fock approximation have been applied to calculate the density of states of various Co perovskite, CeCoO3, SrCoO3 and Sr1-xCexCoO3. We have studied the magnetically ordered states of these Co perovskites in an enlarged double cell, and find its various magnetic structures due to the occupancy of 3d band and its interaction with neighboring Co ions. In this study, we have studied the p-d hybridization of the three Co perovskites, we find t(2g) electrons are localized and the flat e(g) band is responsible for the itinerant behavior, and although the rare earth elements itself contribute little to the DOS at the Fermi energy, the DOS at Fermi energy and the magnetic moment changed consequently because of different valence of Co ions in these compounds and p-d hybridization effect is very important. (C) 2009 Elsevier B.V. All rights reserved.

Exploring the Origin of Power Law Distribution in Single-Molecule Conformation Dynamics: Energy Landscape Perspectives

We explored the origin of power law distribution observed in single-molecule conformational dynamics experiments. By establishing a kinetic master equation approach to study statistically the microscopic state dynamics, we show that the underlying landscape with exponentially distributed density of states leads to power law distribution of kinetics. The exponential density of states emerges when the system becomes glassy and landscape becomes rough with significant trapping.

Ab initio study on the electronic, magnetic, and mechanical properties of CaCu3V4O12

The electronic, magnetic, and mechanical properties of CaCu3V4O12 are investigated by use of the density functional theory method. The calculated results indicate that CaCu3V4O12 is a half-metallic and ferrimagnetic compound. The magnetic coupling for Cu-V is antiferromagnetic, while those for Cu-Cu and V-V are ferromagnetic. The obtained elastic constants suggest that the compound is mechanically stable. The calculated oxidation states and density of states reveal the existence of a mixed valence for Cu and V. This supports the experimental observation of the mixed valence in Ca2+Cu2+Cu2+(V25+V24+)O-12.

Pressure Effects on the Structural, Electronic, and Optical Properties of Si-n@SWCNTs

Well-ordered single, double/four parallel, three/four-strands helical chains, and five-strand helical chain with a single atom chain at the center of Si nanowires (NWs) inside single-walled carbon nanotubes (Si-n@SWCNTs) are obtained by means of molecular dynamics. On the basis of these optimized structures, the structural evolution of Si-n@SWCNTs subjected to axial stress at low temperature is also investigated. Interestingly, the double parallel chains depart at the center and transform into two perpendicular parts, the helical shell transformed into chain, and the strand number of Si NWs increases during the stress load. Through analyzis of pair correlation function (PCF), the density of states (DOS), and the z-axis polarized absorption spectra of Si-n@SWCNTs, we find that the behavior of Si-n@SWCNTs under stress strongly depends on SWCNTs' symmetry, diameter, as well as the shape of Nws, which provide valuable information for potential application in high pressure cases such as seabed cable.

Orbital ordering in Cs2AgF4 from first principles

First-principles calculations using the augmented plane wave plus local orbital method, as implemented in the WIEN2K code, have been used to investigate the structural, electronic, and magnetic properties of the layered perovskite Cs2AgF4. Our calculations indicate that an orthorhombic ground state for Cs2AgF4 is energetically favored over tetragonal. We also find that Cs2AgF4 should be a strong two-dimensional ferromagnet, with very weak antiferromagnetic coupling between the layers, in agreement with the experiment. More importantly, an antiferrodistortive ordering of z(2)-x(2) and z(2)-y(2) orbitals is inferred from the density of states and from a spin density isosurface analysis.

Synthesis, crystal structure, and density of (W1-xAlx)C

A new solid solution system of Al in WC, with the stoichiometry of (W1-xAlx)C (x = 0.10, 0.25, 0.50, 0.75, 0.86), has been synthesized by a solid-state reaction between W1-xAlx alloys and carbon at around 1673 K in vacuum. Environment scanning electron microscope, energy- dispersive analysis of X-ray, X-ray photoelectron spectroscopy, and inductively coupled plasma analyses are used to certify the formation of the products. The mechanism of the solid-state reaction is also discussed. (W1-xAlx)C is identified to crystallize in the hexagonal space group P6m2 (No. 187) and belongs to the WC structure type. The atoms of W and Al occupy the same lattice site (la site) in the cell of (W1-xAlx)C. The cell parameters for each specimen in the phase of W-AI-C are quite close to that of WC, while their densities are far lower than that of WC.