First-principles study of transition metal impurities in Si

By using ab initio electronic structure calculations within density functional theory, we study the structural, electronic, and magnetic properties of Si doped with a transition metal impurity. We consider the transition metals of the 3d series V, Cr, Mn, Fe, Co, and Ni. To get insight into the level filling mechanism and the magnetization saturation, we first investigate the transition metal-Si alloys in the zinc-blende structure. Next, we investigate the doping of bulk Si with a transition metal atom, in which it occupies the substitutional site, the interstitial site with tetrahedral symmetry, and the interstitial site with hexagonal symmetry. It is found that all of these transition metal impurities prefer an interstitial position in Si. Furthermore, we show that it is possible to interpret the electronic and magnetic properties by using a simple level filling picture and a comparison is made to Ge doped with the same transition metal atoms. In order to get insight into the effect of a strained environment, we calculate the formation energy as a function of an applied homogeneous pressure and we show that an applied pressure can stabilize the substitutional position of transition metal impurities in Si. Finally, the energies of the ferromagnetic states are compared to those of the antiferromagnetic states. It is shown that the interstitial site of the Mn dopant helps us to stabilize the nearest neighbor substitutional site to realize the ferromagnetic state. For doping of Si with Cr, a ferrimagnetic behavior is predicted.

Single-photon source in strong photon-atom interaction regime in quasiperiodic photonic crystals

The antibunching properties of the fluorescence from a two-level ideal system in a 12-fold quasiperiodic photonic crystal are investigated based on the calculated local density of states. We found that the antibunching phenomenon of the fluorescence from two-level ideal systems could be significantly changed by varying their positions, i.e., perfect antibunching and antibunching with damped Rabi oscillation phenomenon occurred in different positions and at different frequencies in photonic crystals as a result of the large differences in the local density of states. This study revealed that the multi-level coherence of fluorescence from a two-level ideal system could be manipulated by controlling the position of the two-level ideal system in photonic crystals and the emission frequency in the photonic band structure. Copyright (C) EPLA, 2008

Investigation of oxygen vacancy and interstitial oxygen defects in ZnO films by photoluminescence and x-ray photoelectron spectroscopy

ZnO films prepared at different temperatures and annealed at 900 degrees C in oxygen are studied by photoluminescence (PL) and x-ray photoelection spectroscopy (XPS). It is observed that in the PL of the as-grown films the green luminescence (GL) and the yellow luminescence (YL) are related, and after annealing the GL is restrained and the YL is enhanced. The O 1s XPS results also show the coexistence of oxygen vacancy (Vo) and interstitial oxygen (O-i) before annealing and the quenching of the V-o after annealing. By combining the two results it is deduced that the GL and YL are related to the V-o and O-i defects, respectively.

Effect of as interstitial diffusionon on the properties of undoped semi-insulating LECGaAs

Annealing was carried out at 950 and 1120 degreesC under various As pressure for undoped (ND) semi-insulating (SI) LECGaAs. The effects of annealing on native defects and electrical properties were investigated. Experimental results indicate that, after an annealing at 950 degreesC for 14 h under low As pressure, the Hall mobility decreases and the resistivity increases dramatically for the samples. These changes in electrical properties are due to the generation of intrinsic acceptor defects, and the generation of the intrinsic acceptor defects originates from the outdiffusion of As interstitial at high temperature. The generation of the intrinsic defects and these changes in electrical properties can be suppressed by increasing the applied As pressure during annealing. The concentration of the main donor defect E12 (AsGaVGa) can be decreased by about one order of magnitude by an evacuated annealing at 1120 degreesC for 2-8 h followed by a fast cooling. The decrease in E12 concentration can also be suppressed by increasing the As pressure during annealing.

Hydrogen behavior in GaN epilayers grown by NH3-MBE

Hydrogen behavior in unintentionally doped GaN epilayers on sapphire substrates grown by NH3-MBE is investigated. Firstly, we find by using nuclear reaction analysis (NRA) that with increasing hydrogen concentration the background electron concentration increases, which suggests that there exists a hydrogen-related donor in undoped GaN, Secondly, Fourier transform infrared (FTIR) absorption and X-ray photoelectron spectroscopy (XPS) reveal Further that hydrogen atom is bound to nitrogen atom in GaN with a local vibrational mode at about 3211 cm(-1) Hence, it is presumed that the hydrogen-related complex Ga. . .H-N is a hydrogen-related donor candidate partly responsible for high n-type background commonly observed in GaN films. Finally, Raman spectroscopy results of the epilayers show that ill addition to the expected compressive biaxial strain, in some cases GaN films suffer from serious tensile biaxial strain. This anomalous behavior has been well interpreted in terms of interstitial hydrogen lattice dilation. (C) 2001 Elsevier Science B.V. All rights reserved.

Quantum-well anisotropic forbidden transitions induced by a common-atom interface potential

A prominent effect of the interface potential (IP) [E. L. Ivchenko and A. Yu. Kaminski, Phys. Rev. B 54, 5852 (1996); O. Krebs and P. Voisin, Phys. Rev. Lett. 77, 1829 (1996)], the optical anisotropy of the forbidden transitions in quantum wells has been observed by reflectance-difference spectroscopy. Predictions by the heavy-light-hole coupling IP models are qualitatively consistent with all the observed features of the forbidden and the allowed transitions. The fact that the predicted value of the relative, transition strength, which depends on neither the IP strength nor the electric field, disagrees with the observed one indicates that coupling involving X and/or L bands may also be important. [S0163-1829(99)04227-7].

Neutron irradiation-infrared based measurement method for interstitial oxygen in heavily boron-doped silicon

A novel method, based on an infrared absorption and neutron irradiation technique, has been developed for the determination of interstitial oxygen in heavily boron-doped silicon. The new procedure utilizes fast neutron irradiated silicon wafer specimens. On fast neutron irradiation, the free carriers of high concentration in silicon can be trapped by the irradiated defects and the resistivity increased. The resulting calibration curve for the measurement of interstitial oxygen in boron-doped silicon has been established on the basis of the annealing behaviour of irradiated boron-doped CZ silicon.

Low-temperature (10 K) infrared measurement of interstitial oxygen in heavily antimony-doped silicon via wafer thinning

A new technique is reported for the rapid determination of interstitial oxygen in heavily Sb-doped silicon. This technique includes wafer thinning and low-temperature 10 K infrared measurement on highly thinned wafers. The fine structure of the interstitial oxygen absorption band around 1136 cm(-1) is obtained. Our results show that this method efficiently reduces free-carrier absorption interference, allowing a high reliability of measurement, and can be used at resistivities down to 1 x 10(-2) Omega cm for heavily Sb-doped silicon.

Determination of interstitial oxygen concentration in heavily doped silicon by combination of neutron irradiation and FTIR

于2010-11-23批量导入

Light induced rapid thermal diffusion of boron atom in silicon

国家自然科学基金

Hydrogen behavior in GaN epilayers grown by NH3-MBE

Hydrogen behavior in unintentionally doped GaN epilayers on sapphire substrates grown by NH3-MBE is investigated. Firstly, we find by using nuclear reaction analysis (NRA) that with increasing hydrogen concentration the background electron concentration increases, which suggests that there exists a hydrogen-related donor in undoped GaN, Secondly, Fourier transform infrared (FTIR) absorption and X-ray photoelectron spectroscopy (XPS) reveal Further that hydrogen atom is bound to nitrogen atom in GaN with a local vibrational mode at about 3211 cm(-1) Hence, it is presumed that the hydrogen-related complex Ga. . .H-N is a hydrogen-related donor candidate partly responsible for high n-type background commonly observed in GaN films. Finally, Raman spectroscopy results of the epilayers show that ill addition to the expected compressive biaxial strain, in some cases GaN films suffer from serious tensile biaxial strain. This anomalous behavior has been well interpreted in terms of interstitial hydrogen lattice dilation. (C) 2001 Elsevier Science B.V. All rights reserved.

Investigation of ion-atom collision dynamics through imaging techniques

The principle and technique details of recoil ion momentum imaging are discussed and summarized. The recoil ion momentum spectroscopy built at the Institute of Modern Physics (Lanzhou) is presented. The first results obtained at the setup are analyzed. For 30 keV He2+ on He collision, it is found that the capture of single electron occurs dominantly into the first excited states, and the related scattering angle results show that the ground state capture occurs at large impact parameters, while the capture into excited states occurs at small impact parameters. The results manifest the collision dynamics for the sub-femto-second process can be studied through the techniques uniquely. Finally, the future possibilities of applications of the recoil ion momentum spectroscopy in other fields are outlined.