First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms

First-principles calculations; ZnO nanofilms; Electronic properties; Quantum effects； NANOBELTS; NANORINGS; WURTZITE; ENERGY Abstract: Using first-principles density-functional calculations, we have studied the structural and electronic properties Of Ultrathin ZnO {0001} nanofilms. The structural parameters, the charge densities, band structures and density of states have been investigated. The results show that there are remarkable charge transfers from Zn to O atoms in the ZOO nanofilms. All the ZOO nanofilms exhibit direct wide band gaps compared with bulk counterpart, and the gap decreases with increased thickness of the nanofilms. The decreased band gap is associated with the weaker ionic bonding within layers and the less localization of electrons in thicker films. A staircase-like density of states occurs at the bottom of conduction band, indicating the two-dimensional quantum effects in ZnO nanofilms.

Polymerization of ionic liquid-based microemulsions: A versatile method for the synthesis of polymer electrolytes

电子邮箱fyan@suda.edu.cn

Spin splitting of conduction subbands in Al0.3Ga0.7As/GaAs/AlxGa1-x As/Al0.3Ga0.7As step quantum wells

By means of the transfer matrix technique, interface-induced Rashba spin splitting of conduction subbands in Al0.3Ga0.7As/GaAs/AlxGa1-xAs/Al0.3Ga0.7As step quantum wells which contain internal structure inversion asymmetry introduced by the insertion of AlxGa1-xAs step potential is investigated theoretically in the absence of electric field and magnetic field. The dependence of spin splitting on the well width, step width and Al concentration is investigated in detail. We find that the sign of the first excited subband spin splitting changes with well width and step width, and is opposite to that of the ground subband under certain conditions. The sign and strength of the spin splitting are shown to be sensitive to the components of the envelope function at three interfaces. Copyright (C) EPLA, 2009

Kinetic study for hopping conduction through deoxyribonucleic acid molecules

Recent experiments indicated that disorder effect in deoxyribonucleic acid (DNA) may lead to a transition of the electronic hole transport mechanism from band resonant tunneling to thermally activated hopping. In this letter, based on Mott's variable-range hopping theory, we present a kinetic study for the hole transport properties of DNA molecules. Beyond the conventional argument in large-scale systems, our numerical study for finite-size DNA molecules reveals a number of unique features for: (i) the current-voltage characteristics, (ii) the temperature and length dependence, and (iii) the transition from conducting to insulating behaviors. (c) 2005 American Institute of Physics.

Comparative study for colloidal quantum dot conduction band state calculations

By comparing the results of some well-controlled calculation methods, we analyze the relative importance of bulk band structure, multi-bulk-band coupling, and boundary conditions in determining colloidal quantum dot conduction band eigenenergies. We find that while the bulk band structure and correct boundary conditions are important, the effects of multi-bulk-band coupling are small.

Conduction band offset and electron effective mass in GaInNAs/GaAs quantum-well structures with low nitrogen concentration

We have investigated the optical transitions in Ga1-yInyNxAs1-x/GaAs single and multiple quantum wells using photovoltaic measurements at room temperature. From a theoretical fit to the experimental data, the conduction band offset Q(c), electron effective mass m(e)*, and band gap energy E-g were estimated. It was found that the Q(c) is dependent on the indium concentration, but independent on the nitrogen concentration over the range x=(0-1)%. The m(e)* of GaInNAs is much greater than that of InGaAs with the same concentration of indium, and increases as the nitrogen concentration increases up to 1%. Our experimental results for the m(e)* and E-g of GaInNAs are quantitatively explained by the two-band model based on the strong interaction of the conduction band minimum with the localized N states. (C) 2001 American Institute of Physics.

Tuning of conduction intersublevel absorption wavelengths in (In, Ga)As/GaAs quantum-dot nanostructures

We demonstrate that by increasing the amount of (In, Ga)As deposit in a quantum dot layer, the intersublevel absorption wavelength for (In, Ga)As/GaAs quantum-dot infrared photodetectors can be blue-shifted from 15 to 10 mu m while the photoluminescence peak is red-shifted. We directly compare the measured energy spacing between intersublevels obtained from infrared absorption spectroscopy with those obtained from photoluminescence spectroscopy. We find that the intersublevel energy spacing determined from absorption measurements is much larger than that obtained from the photoluminescence measurements. (C) 2000 American Institute of Physics. [S0003-6951(00)04524-1].

Conduction-band offset in a pseudomorphic GaAs/In0.2Ga0.8As quantum well determined by capacitance-voltage profiling and deep-level transient spectroscopy techniques

The conduction-band offset Delta E-C has been determined for a molecular beam epitaxy grown GaAs/In0.2Ga0.8As single quantum-well structure, by measuring the capacitance-voltage (C - V) profiling, taking into account a correction for the interface charge density, and the capacitance transient resulting from thermal emission of carriers from the quantum well, respectively. We found that Delta E-C = 0.227 eV, corresponding to about 89% Delta E-g, from the C - V profiling; and Delta E-C = 0.229eV, corresponding to about 89.9% Delta E-g, from the deep-level transient spectroscopy (DLTS) technique. The results suggest that the conduction-band discontinuity Delta E-C obtained from the C-V profiling is in good agreement with that obtained from the DLTS technique. (C) 1998 American Institute of Physics.

DETERMINATION OF THE CONDUCTION-BAND OFFSET OF A SINGLE ALGAAS BARRIER LAYER USING DEEP-LEVEL TRANSIENT SPECTROSCOPY

The tunneling from an AlGaAs confined thin layer to a GaAs layer in the GaAs/Al0.33Ga0.67As/GaAs structure during the trapped electron emission from deep level in the AlGaAs to its conduction band has been observed by deep level transient spectroscopy. With the aid of the tunneling effect, the conduction-band offset DELTAE(c) was determined to be 0.260 eV, corresponding to 63% of DELTAE(g). A calculation was also carried out based on this tunneling model by using the experimental value of DELTAE(c) = E2 - E1 = 0. 260 eV, and good agreement between the experimental and calculated curves is obtained.

TEMPERATURE-DEPENDENCE OF THE LOW-FIELD MOBILITY OF MINIBAND CONDUCTION IN SUPERLATTICES

The existing interpretation of the T-1 temperature dependence of the low-field miniband conduction is derived from certain concepts of conventional band theory for band structures resulting from spatial periodicities commensurable with the dimensionalities of the system. It is pointed out that such concepts do not apply to the case of miniband conduction, where we are dealing with band structures resulting from a one-dimensional periodicity in a three-dimensional system. It is shown that in the case of miniband conduction, the current carriers are distributed continuously over all energies in a sub-band, but only those with energies within the width of the miniband contribute to the current. The T-1 temperature dependence of the low-field mobility is due to the depletion of these current-carrying carriers with the rise of temperature.

SHEAR-DEFORMATION-POTENTIAL CONSTANT OF THE CONDUCTION-BAND MINIMA OF SI - EXPERIMENTAL-DETERMINATION BY THE DEEP-LEVEL CAPACITANCE TRANSIENT METHOD

The shear-deformation-potential constant XI-u of the conduction-band minima of Si has been measured by a method which we called deep-level capacitance transient under uniaxial stress. The uniaxial-stress (F) dependence of the electron emission rate e(n) from deep levels to the split conduction-band minima of Si has been analyzed. Theoretical curves are in good agreement with experimental data for the S0 and S+ deep levels in Si. The values of XI-u obtained by the method are 11.1 +/- 0.3 eV at 148.9 K and 11.3 +/- 0.3 eV at 223.6 K. The analysis and the XI-u values obtained are also valuable for symmetry determination of deep electron traps in Si.