Band-gap bowing and p-type doping of (Zn, Mg, Be)O wide-gap semiconductor alloys: a first-principles study

Using a first-principles band-structure method and a special quasirandom structure (SQS) approach, we systematically calculate the band gap bowing parameters and p-type doping properties of (Zn, Mg, Be)O related random ternary and quaternary alloys. We show that the bowing parameters for ZnBeO and MgBeO alloys are large and dependent on composition. This is due to the size difference and chemical mismatch between Be and Zn(Mg) atoms. We also demonstrate that adding a small amount of Be into MgO reduces the band gap indicating that the bowing parameter is larger than the band-gap difference. We select an ideal N atom with lower p atomic energy level as dopant to perform p-type doping of ZnBeO and ZnMgBeO alloys. For N doped in ZnBeO alloy, we show that the acceptor transition energies become shallower as the number of the nearest neighbor Be atoms increases. This is thought to be because of the reduction of p-d repulsion. The N-O acceptor transition energies are deep in the ZnMgBeO quaternary alloy lattice-matched to GaN substrate due to the lower valence band maximum. These decrease slightly as there are more nearest neighbor Mg atoms surrounding the N dopant. The important natural valence band alignment between ZnO, MgO, BeO, ZnBeO, and ZnMgBeO quaternary alloy is also investigated.

Nitrogen defects and ferromagnetism in Cr-doped dilute magnetic semiconductor AlN from first principles

High Curie temperature of 900 K has been reported in Cr-doped AlN diluted magnetic semiconductors prepared by various methods, which is exciting for spintronic applications. It is believed that N defects play important roles in achieving the high-temperature ferromagnetism in good samples. Motivated by these experimental advances, we use a full-potential density-functional-theory method and supercell approach to investigate N defects and their effects on ferromagnetism of (Al,Cr)N with N vacancies (V-N). We investigate the structural and electronic properties of V-N, single Cr atom, Cr-Cr atom pairs, Cr-V-N pairs, and so on. In each case, the most stable structure is obtained by comparing different atomic configurations optimized in terms of the total energy and the force on every atom, and then it is used to calculate the defect formation energy and study the electronic structures. Our total-energy calculations show that the nearest substitutional Cr-Cr pair with the two spins in parallel is the most favorable and the nearest Cr-V-N pair makes a stable complex. Our formation energies indicate that V-N regions can be formed spontaneously under N-poor condition because the minimal V-N formation energy equals -0.23 eV or Cr-doped regions with high enough concentrations can be formed under N-rich condition because the Cr formation energy equals 0.04 eV, and hence real Cr-doped AlN samples are formed by forming some Cr-doped regions and separated V-N regions and through subsequent atomic relaxation during annealing. Both of the single Cr atom and the N vacancy create filled electronic states in the semiconductor gap of AlN. N vacancies enhance the ferromagnetism by adding mu(B) to the Cr moment each but reduce the ferromagnetic exchange constants between the spins in the nearest Cr-Cr pairs. These calculated results are in agreement with experimental observations and facts of real Cr-doped AlN samples and their synthesis. Our first-principles results are useful to elucidate the mechanism for the ferromagnetism and to explore high-performance Cr-doped AlN diluted magnetic semiconductors.

Growth Parameter Dependence of Structural Characterizations of Diluted Magnetic Semiconductor (Ga, Cr)As

We report the influence of growth parameters and post-growth annealing on the structural characterizations and magnetic properties of (Ga, Cr)As films. The crystalline quality and magnetic properties are sensitive to the growth conditions. The single-phase (Ga, Cr)As film with the Curie temperature of 10 K is synthesized at growth temperature T-s = 250 degrees C and with nominal Cr content x = 0.016. However, for the films with x > 0.02, the aggregation of Cr atoms is strongly enhanced as both T. and x increase, which not only brings strong compressive strain in the epilayer, but also roughens the surface. The origin of room-temperature ferromagnetism in (Ga, Cr)As films with nanoclusters is also discussed.

Quantum Confinement and Electronic Properties of Rutile TiO2 Nanowires

The quantum confinement effect, electronic properties, and optical properties of TiO2 nanowires in rutile structure are investigated via first-principles calculations. We calculate the size- and shape-dependent band gap of the nanowires and fit the results with the function E-g = E-g(bulk) + beta/d(alpha). We find that the quantum confinement effect becomes significant for d < 25 angstrom, and a notable anisotropy exists that arises from the anisotropy of the effective masses. We also evaluate the imaginary part of the frequency-dependent dielectric function [epsilon(2)(omega)] within the electric-dipole approximation, for both the polarization parallel [epsilon(parallel to)(2)(omega)] and the perpendicular [epsilon 1/2(omega)] to the axial (c) direction. The band structure of the nanowires is calculated, with which the fine structure of epsilon(parallel to)(2)(omega) has been analyzed.

Whispering-gallery microcavity semiconductor lasers suitable for photonic integrated circuits and optical interconnects

The characteristics of whispering-gallery-like modes in the equilateral triangle and square microresonators are introduced, including directional emission triangle and square microlasers connected to an output waveguide. We propose a photonic interconnect scheme by connecting two directional emission microlasers with an optical waveguide on silicon integrated circuit chip. The measurement indicates that the triangle microlasers can work as a resonance enhanced photodetector for optical interconnect.

Symmetry and optical transition rule for low-dimensional semiconductor system with spin-orbit interaction and magnetic field

Starting from effective mass Hamiltonian, we systematically investigate the symmetry of low-dimensional structures with spin-orbit interaction and transverse magnetic field. The position-dependent potentials are assumed to be space symmetric, which is ever-present in theory and experiment research. By group theory, we analyze degeneracy in different cases. Spin-orbit interaction makes the transition between Zeeman sub-levels possible, which is originally forbidden within dipole approximation. However, a transition rule given in this paper for the first time shows that the transition between some levels is forbidden for space symmetric potentials. (C) 2009 Elsevier Ltd. All rights reserved.

Quantum mechanical simulation of nanosized metal-oxide-semiconductor field-effect transistor using empirical pseudopotentials: A comparison for charge density occupation methods

The atomistic pseudopotential quantum mechanical calculations are used to study the transport in million atom nanosized metal-oxide-semiconductor field-effect transistors. In the charge self-consistent calculation, the quantum mechanical eigenstates of closed systems instead of scattering states of open systems are calculated. The question of how to use these eigenstates to simulate a nonequilibrium system, and how to calculate the electric currents, is addressed. Two methods to occupy the electron eigenstates to yield the charge density in a nonequilibrium condition are tested and compared. One is a partition method and another is a quasi-Fermi level method. Two methods are also used to evaluate the current: one uses the ballistic and tunneling current approximation, another uses the drift-diffusion method. (C) 2009 American Institute of Physics. [doi:10.1063/1.3248262]

Overall optimization of high-speed semiconductor laser modules

Based on the high frequency techniques such as frequency response measurement, equivalent circuit modeling and packaging parasitics compensation, a comprehensive optimization method for packaging high-speed semiconductor laser module is presented in this paper. The experiments show that the small-signal magnitude frequency response of the TO packaged laser module is superior to that of laser diode in frequencies, and the in-band flatness and the phase-frequency linearity are also improved significantly.

4-ps passively mode-locked Nd : Gd0.5Y0.5VO4 laser with a semiconductor saturable-absorber mirror

We have demonstrated a passively mode-locked diode end-pumped all-solid-state laser, which is composed of a Nd:Gd0.5Y0.5VO4 crystal and a folded cavity with a semiconductor saturable-absorber mirror grown by metal-organic chemical-vapor deposition. Stable cw mode locking with a 3.8-ps pulse duration at a repetition rate of 112 MHz was obtained. At 13.6 W of the incident pump power, a clean mode-locked fundamental-mode average output power of 3.9 W was achieved with an overall optical-to-optical efficiency of 29.0%, and the slope efficiency was 38.1%. (C) 2004 Optical Society of America.

Diode-pumped self-starting mode-locked Nd : YVO4 laser with semiconductor saturable absorber output coupler

By using a semiconductor saturable-absorber output coupler as a mode-locking device, we experimentally realized the operation of a diode-pumped passively mode-locked Nd:YVO4 laser. Stable laser pulses with duration of 2.3 ps were generated at the output power of about 1 W. With increasing the pump power to 9 W, the maximum mode-locked power of 1.7 W was obtained, which corresponds to a slope conversion efficiency of 44% and optical-to-optical conversion efficiency of 19%.

Single-electron multiple-valued memory using ultra-small floating gate metal-oxide-semiconductor field effect transistor

This paper proposes a novel single-electron multiple-valued memory. It is a metal-oxide-semiconductor field effect transistor (MOS)-type memory with multiple separate control gates and floating gate layer, which consists of nano-crystal grains. The electron can tunnel among the grains (floating gates) and between the floating gate layer and the MOS channel. The memory can realize operations of 'write', 'store' and 'erase' of multiple-valued signals exceeding three values by controlling the single electron tunneling behavior. We use Monte Carlo method to simulate the operation of single-electron four-valued memory. The simulation results show that it can operate well at room temperature.

Broadband polarization-insensitive semiconductor optical amplifier gate with tensile InGaAs quasi-bulk and compressively strained InGaAs wells

A novel wideband polarization-insensitive semiconductor optical amplifier (SOA) gate containing compressively strained InGaAs quantum wells and tensile-strained InGaAs quasi-bulk layers is developed. The fabricated SOA gates have a wide 3-dB optical bandwidth of 102 nm, less than 0.8-dB polarization sensitivity, more than 50-dB extinction ratio, and less than 75-mA fiber-to-fiber lossless operating current. (C) 2004 Society of Photo-Optical Instrumentation Engineers.

Analysis of mode characteristics for equilateral triangle semiconductor microlasers with imperfect boundaries

The influence of imperfect boundaries on the mode quality factor is investigated for equilateral-triangle-resonator (ETR) semiconductor microlasers by the finite difference time domain technique and the Pade approximation with Baker's algorithm. For 2-D ETR with a refractive index of 3.2 and side length of 5 mum, the confined modes can still have a quality factor of about 1000 as small triangles with side length of 1 mum are cut from the vertices of the ETR. For a deformed 5 mum ETR with round vertices and curve sides, the simulated mode quality factors are comparable to the measured results.

Electron and hole states in diluted magnetic semiconductor quantum dots

The electronic structure of a diluted magnetic semiconductor (DMS) quantum dot (QD) is studied within the framework of the effective-mass theory. We find that the energies of the electron with different spin orientation exhibit different behavior as a function of magnetic field at small magnetic fields. The energies of the hole decreases rapidly at low magnetic fields and saturate at higher magnetic field due to the sp-d exchange interaction between the carriers and the magnetic ions. The mixing effect of the hole states in the DMS QD can be tuned by changing the external magnetic field. An interesting crossing behavior of the hole ground state between the heavy-hole state and the light-hole state is found with variation of the QD radius. The strength of the interband optical transition for different circular polarization exhibts quite different behavior with increasing magnetic field and QD radius.

A Bragg-mirror-based semiconductor saturable absorption mirror at 800 nm with low temperature and surface state hybrid absorber

We present a novel 800-nm Bragg-mirror-based semiconductor saturable absorption mirror with low temperature and surface state hybrid absorber, with which we can realize the passive soliton mode locking of a Ti:sapphire laser pumped by 532-nm green laser which produces pulses as short as 37 fs. The reflection bandwidth of the mirror is 30 nm and the pulse frequency is 107 MHz. The average output power is 1.1 W at the pump power of 7.6 W.