The alternate combinational approach of genetic algorithm and neural network (AGANN) has been presented to correct the systematic error of the density functional theory (DFT) calculation. It treats the DFT as a black box and models the error through external statistical information. As a demonstration, the AGANN method has been applied in the corre...
InN films with electron concentration ranging from n similar to 10(17) to 10(20) cm(-3) grown by metal-organic chemical vapor deposition (MOCVD) and molecular beam epitaxy (MBE) were investigated by variable-temperature photoluminescence and absorption measurements. The energy positions of absorption edge as well as photoluminescence peak of these ...
The effect of the Coulomb interaction on the energy spectrum and anisotropic distribution of two electron states in a quantum ring in the presence of Rashba spin-orbit interaction (RSOI) and Dresselhaus SOI (DSOI) is investigated in the presence of a perpendicular magnetic field. We find that the interplay between the RSOI and DSOI makes the single...
Atomic and electronic properties of N-N split interstitial in GaN nanowires have been investigated using first principles calculations. The formation energy calculations show that the N-N interstitial favors substituting an N atom at the surface of the nanowires. The interstitial induces localized states in the band gap of GaN nanowires.
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 an...
InGaN p-i-n homojunction structures were grown by metal-organic chemical vapor deposition, and solar cells with different p-contact schemes were fabricated. X-ray diffraction measurements demonstrated that the epitaxial layers have a high crystalline quality. Solar cells with semitransparent p-contact exhibited a fill factor (FF) of 69.4%, an open-...
The origin of ferromagnetism in d(0) semiconductors is studied using first-principles methods with ZnO as a prototype material. We show that the presence of spontaneous magnetization in nitrides and oxides with sufficient holes is an intrinsic property of these first-row d(0) semiconductors and can be attributed to the localized nature of the 2p st...
Polarization-resolved edge-emitting electroluminescence (EL) studies of InGaN/GaN MQWs of wavelengths from near-UV (390 nm) to blue (468 nm) light-emitting diodes (LEDs) are performed. Although the TE mode is dominant in all the samples of InGaN/GaN MQW LEDs, an obvious difference of light polarization properties is found in the InGaN/GaN MQW LEDs ...
We measured the carrier concentration distribution of gradient-doped GaAs/GqAlAs epilayers grown by molecular beam epitaxy before and after annealing at 600 degrees C, using electrochemical capacitance voltage profiling, to investigate the internal variation of transmission-mode GaAs photocathodes arising from the annealing process. The results sho...
The depolarization effect (DE) in the intersubband transitions (ISBTs) of triangular cross-section quantum wires has been calculated in the framework of the effective-mass envelope-function theory and the self-consistent field approximation (Hartree approximation). Similar to quantum wells, the DE can bring an upward shift in ISBT. The shift quanti...
