The bipolar doping of ZnS via native defects and external dopants

By employing first-principle total-energy calculations, a systematic study of the dopability of ZnS to be both n- and p-types compared with that of ZnO is carried out. We find that all the attempted acceptor dopants, group V substituting on the S lattice site and group I and IB on the Zn sites in ZnS, have lower ionization energies than the corresponding ones in ZnO. This can be accounted for by the fact that ZnS has relative higher valence band maximum than ZnO. Native ZnS is weak p-type under S-rich condition, as the abundant acceptor V-Zn has rather large ionization energy. Self-compensations by the formation of interstitial donors in group I and IB-doped p-type ZnS can be avoided when sample is prepared under S-rich condition. In terms of ionization energies, Li-Zn and N-S are the preferred acceptors in ZnS. Native n- type doping of ZnS is limited by the spontaneous formation of intrinsic V-Zn(2-); high efficient n-type doping with dopants is harder to achieve than in ZnO because of the readiness of forming native compensating centers and higher ionization energy of donors in ZnS. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3103585]

First principle study of Mg, Si and Mn co-doped GaN

Calculations of electronic structures and optical properties of Mg (or Si) and Mn co-doped GaN were carried out by means of first-principle plane-wave pesudopotential (PWP) based on density functional theory - The spin polarized impurity bands of deep energy levels were found for both systems. They are half metallic and suitable for spin injectors. Compared with GaN Mn, GaN Mn-Mg exhibits a significant increase in T-C 1 while the 1.3 eV absorption peak in GaN Mn disappears due to addition of Mg. In addition, a strong absorption peak due to T-4(1) (F) -> T-4(2) (F) transition of Mn4+ were observed near 1.1 eV. Nevertheless, GaN Mn-Si failed to show increase of T-C, and the absorption peak was not observed at the low energy side.

Design of Narrow-Gap TiO2: A Passivated Codoping Approach for Enhanced Photoelectrochemical Activity

To improve the photoelectrochemical activity of TiO2 for hydrogen production through water splitting, the band edges of TiO2 should be tailored to match with visible light absorption and the hydrogen or oxygen production levels. By analyzing the band structure of TiO2 and the chemical potentials of the dopants, we propose that the band edges of TiO2 can be modified by passivated codopants such as (Mo+C) to shift the valence band edge up significantly, while leaving the conduction band edge almost unchanged, thus satisfying the stringent requirements. The design principle for the band-edge modification should be applicable to other wide-band-gap semiconductors.

Electronic structure and optical property of semiconductor nanocrystallites

Semiconductor nanostructures show many special physical properties associated with quantum confinement effects, and have many applications in the opto-electronic and microelectronic fields. However, it is difficult to calculate their electronic states by the ordinary plane wave or linear combination of atomic orbital methods. In this paper, we review some of our works in this field, including semiconductor clusters, self-assembled quantum dots, and diluted magnetic semiconductor quantum dots. In semiconductor clusters we introduce energy bands and effective-mass Hamiltonian of wurtzite structure semiconductors, electronic structures and optical properties of spherical clusters, ellipsoidal clusters, and nanowires. In self-assembled quantum dots we introduce electronic structures and transport properties of quantum rings and quantum dots, and resonant tunneling of 3-dimensional quantum dots. In diluted magnetic semiconductor quantum dots we introduce magnetic-optical properties, and magnetic field tuning of the effective g factor in a diluted magnetic semiconductor quantum dot. (C) 2004 Elsevier B.V. All rights reserved.

A photonic crystal waveguide with silicon on insulator in the near-infrared band

A two-dimensional (2D) photonic crystal waveguide in the Gamma-K direction with triangular lattice on a silicon-on insulator (SOI) substrate in the near-infrared band is fabricated by the combination of electron beam lithography and inductively coupled plasma etching. Its transmission characteristics are analysed from the stimulated band diagram by the effective index and the 2D plane wave expansion (PWE) methods. In the experiment, the transmission band edge in a longer wavelength of the photonic crystal waveguide is about 1590 nm, which is in good qualitative agreement with the simulated value. However, there is a disagreement between the experimental and the simulated results when the wavelength ranges from 1607 to 1630 nm, which can be considered as due to the unpolarized source used in the transmission measurement.

Binding energy of a hydrogenic donor impurity in a rectangular parallelepiped-shaped quantum dot: Quantum confinement and Stark effects

We calculate the binding energy of a hydrogenic donor impurity in a rectangular parallelepiped-shaped quantum dot (QD) in the framework of effective-mass envelope-function theory using the plane wave basis. The variation of the binding energy with edge length, position of the impurity, and external electric field is studied in detail. A finite potential model is adopted in our calculations. Compared with the infinite potential model [C. I. Mendoza , Phys. Rev. B 71, 075330 (2005)], the following results are found: (1) if the impurity is located in the interior of the QD, our results give a smaller binding energy than the infinite potential model; (2) the binding energies are more sensitively dependent on the applied electric field in the finite potential model; (3) the infinite potential model cannot give correct results for a small QD edge length for any location of the impurity in the QD; (4) some degeneracy is lifted when the dot is no longer cubic. (C) 2007 American Institute of Physics.

Electronic Properties of Nonstoichiometric PbSe Quantum Dots from First Principles

One-Hundred Talent Plan of the Chinese Academy of Sciences；National Science Fund for Distinguished Young Scholars 60925016；National High Technology Research and Development program of China 2009AA034101

Dipole mode photonic crystal point defect laser on InGaAsP/InP

In this paper, we focus on the dipole mode of the two-dimensional (2D) photonic crystal (PC) single point defect cavity (SPDC) lasers and we report the fabrication and characterization of 2D PC SPDC lasers with the structure of adjusted innermost air holes. The photonic band and cavity Q factors are simulated by means of plane wave expansion (PWE) and finite-difference time-domain (FDTD), respectively. In order to improve the optical confinement of the SPDC, the diameter of the innermost holes was adjusted. Different lasing performances are observed experimentally. The experimental results agree with the theoretical prediction very well. (c) 2006 Elsevier B.V. All rights reserved.

Rashba spin splitting in biased semiconductor quantum wells

Rashba spin splitting (RSS) in biased semiconductor quantum wells is investigated theoretically based on eight-band k center dot p theory. We find that at large wave vectors, RSS is both nonmonotonic and anisotropic as a function of in-plane wave vector, in contrast to the widely used isotropic linear model. We derive an analytical expression for RSS, which can qualitatively reproduce such nonmonotonic behavior at large wave vectors. We also investigate numerically the dependence of RSS on the various band parameters and find that RSS increases with decreasing band gap and subband index, increasing valence band offset, external electric field, and well width. All these dependences can be qualitatively described by our analytical model.

InxGa1-xAs/AlyGa1-yAs/AlzGa1-zAs asymmetric step quantum-well middle wavelength infrared detectors

InxGa1-xAs/AlyGa1-yAs/AlzGa1-zAs asymmetric step quantum-well middle wavelength (3-5 mum) infrared detectors are fabricated. The components display photovoltaic-type photocurrent response as well as the bias-controlled modulation of the peak wavelength of the main response, which is ascribed to the Stark shifts of the intersubband transitions from the local ground states to the extended first excited states in the quantum wells, at the 3-5.3 mum infrared atmospheric transmission window. The blackbody detectivity (D-bb*) of the detectors reaches to about 1.0x10(10) cm Hz(1/2)/W at 77 K under bias of +/-7 V. By expanding the electron wave function in terms of normalized plane wave basis within the framework of the effective-mass envelope-function theory, the linear Stark effects of the intersubband transitions between the ground and first excited states in the asymmetric step well are calculated. The obtained results agree well with the corresponding experimental measurements. (C) 2001 American Institute of Physics.

Comparison of cooling rates for hot carriers in GaAs AlAs quantum wells based on macroscopic and microscopic phonon models

By using three analytical phonon models in quantum wells-the slab model, the guided-mode model, and the improved version of the Huang-Zhu model [Phys. Rev. B 38, 13 377 (1998)], -and the phonon modes in bulk, the energy-loss rates of hot carriers due to the Frohlich potential scattering in GaAs/AlAs multiple quantum wells (MQW's) are calculated and compared to those obtained based on a microscopic dipole superlattice model. In the study, a special emphasis is put on the effects of the phonon models on the hot-carrier relaxation process when taking the hot-phonon effect into account. Our numerical results show that, the calculated energy-loss rates based on the slab model and on the improved Huang-Zhu model are almost the same when ignoring the hot-phonon effect; however, with the hot phonon effect considered, the calculated cooling rate as well as the hot phonon occupation number do depend upon the phonon models to be adopted. Out of the four analytical phonon models investigated, the improved Huang-Zhu model gives the results most close to the microscopic calculation, while the guided-mode model presents the poorest results. For hot electrons with a sheet density around 10(12)/cm(2), the slab model has been found to overestimate the hot-phonon effect by more than 40% compared to the Huang-Zhu model, and about 75% compared to the microscopic calculation in which the phonon dispersion is fully included. Our calculation also indicates that Nash's improved version [J. Lumin. 44, 315 (1989)] is necessary for evaluating the energy-loss rates in quantum wells of wider well width, because Huang-Zhu's original analytical formulas an only approximately orthogonal for optical phonons associated with small in-plane wave numbers. [S0163-1829(99)08919-5].

Experimental investigation of slow light phenomenon in photonic crystal waveguide line defect laser

The guide mode whose frequency locates in the band edge in photonic crystal single line defect waveguide has very low group velocity. So the confinement and gain of electromagnetic field in the band edge are strongly enhanced. Photonic crystal waveguide laser is fabricated and the slow light phenomenon is investigated. The laser is pumped by pulsed pumping light at 980nm whose duty ratio is 0.05%. The active layer in photonic crystal slab is InGaAsP multiple quantum well. Light is transimited by a photonic crystal chirp waveguide in one facet of the laser. Then the output light is coupled to a fiber and the character of laser is analysis by an optical spectrometer. It is found that single mode and multimode happens with different power of pumping light. Meanwhile the plane wave expansion and finite-difference time-domain methods are used to simulate the phenomenon of slow light. And the result of the experiment is compared with the theory which proves the slow light results in lasing oscillation.

Magnetic resonant cavity composing of a three layered plasmonic nanostructure

The magnetic-type plasmon resonant of a metal-dielectric-metal nanocavity working at the wavelength of 1.55 mu m is explored, in which the upper layer is periodically patterned with metallic nanostrip arrays. In the dielectric film layer, the magnetic energy intensity is enhanced about 1700 times when irradiated with a p-polarized plane wave. We numerically studied the dispersion of the modes and the Q-value of this periodic cavity arrays. Q value is estimated about 18 and still has room for further improvement. It provides a new type of nanocavity that exhibits a strong magnetic response.

Dipole mode photonic crystal point defect laser on InGaAsP/InP

In this paper, we focus on the dipole mode of the two-dimensional (2D) photonic crystal (PC) single point defect cavity (SPDC) lasers and we report the fabrication and characterization of 2D PC SPDC lasers with the structure of adjusted innermost air holes. The photonic band and cavity Q factors are simulated by means of plane wave expansion (PWE) and finite-difference time-domain (FDTD), respectively. In order to improve the optical confinement of the SPDC, the diameter of the innermost holes was adjusted. Different lasing performances are observed experimentally. The experimental results agree with the theoretical prediction very well. (c) 2006 Elsevier B.V. All rights reserved.

Anomalous optical and electronic properties of dense sodium

Based on the density functional theory, we systematically study the optical and electronic properties of the insulating dense sodium phase (Na-hp4) reported recently (Ma et al., 2009). The structure is found optically anisotropic. Through Bader analysis, we conclude that ionicity exists in the structure and becomes stronger with increasing pressure.