DETERMINATION OF THE SUBBAND ENERGY IN THE V-SHAPED POTENTIAL WELL OF DELTA-DOPED GAAS BY DEEP-LEVEL TRANSIENT SPECTROSCOPY

Using deep level transient spectroscopy (DLTS) the conduction-subband energy levels in a V-shaped potential well induced by Si-delta doping in GaAs were determined. Self-consistent calculation gives four subbands in the well below the Fermi level. Experimentally, two DLTS peaks due to electron emission from these subbands were observed. Another two subbands with low electron concentration are believed to be merged into the adjacent DLTS peak. A good agreement between self-consistent calculation and experiment was obtained. (C) 1994 American Institute of Physics.

ELECTRONIC-STRUCTURES OF THE ALKALI-CONTAINING BUCKMINSTERFULLERENES (A-DELTA-C60) (A=LI,NA,K,RB,CS) AND THE HALOGEN-CONTAINING BUCKMINSTERFULLERENES (H-DELTA-C60) (H=F,CL,BR,I)

The geometrical parameters and electronic structures of C60, (A partial derivative C60) (A = Li, Na, K, Rb, Cs) and (H partial derivative C60) (H = F, Cl, Br, I) have been calculated by the EHMO/ASED (atom superposition and electron delocalization) method. When putting a central atom into the C60 cage, the frontier and subfrontier orbitals of (A partial derivative C60) (A = Li, Na, K, Rb, Cs) and (H partial derivative C60) (H = F, Cl) relative to those of C60 undergo little change and thus, from the viewpoint of charge transfer, A (A = Li, Na, K, Rb, Cs) and H (H = F, Cl) are simply electron donors and acceptors for the C60 cage resPeCtively. Br is an electron acceptor but it does influence the frontier and subfrontier MOs for the C60 cage, and although there is no charge transfer between I and the C60 cage, the frontier and subfrontier MOs for the C60 cage are obviously influenced by I. The stabilities DELTAE(X) (DELTAE(X) = (E(X) + E(C60)) - E(x partial derivative C60)) follow the sequence I < Br < None < Cl < F < Li < Na < K < Rb < Cs while the cage radii r follow the inverse sequence. The stability order and the cage radii order have been explained by means of the (exp-6-1) potential.

2-DELTA-FUNCTION GENERALIZED PLASMA POLE MODEL FOR 1ST PRINCIPLE CALCULATIONS OF QUASI-PARTICLE ENERGIES IN MANY-ELECTRON SYSTEMS

To evaluate the dynamical effects of the screened interaction in the calculations of quasiparticle energies in many-electron systems a two-delta-function generalized plasma pole model (GPP) is introduced to simulate the dynamical dielectric function. The usual single delta-function GPP model has the drawback of over simplifications and for the crystals without the center of symmetry is inappropriate to describe the finite frequency behavior for dielectric function matrices. The discrete frequency summation method requires too much computation to achieve converged results since ab initio calculations of dielectric function matrices are to be carried out for many different frequencies. The two-delta GPP model is an optimization of the two approaches. We analyze the two-delta GPP model and propose a method to determine from the first principle calculations the amplitudes and effective frequencies of these delta-functions. Analytical solutions are found for the second order equations for the parameter matrices entering the model. This enables realistic applications of the method to the first principle quasiparticle calculations and makes the calculations truly adjustable parameter free.

Deviation from the stoichiometric composition of single-crystal 'Er2Co17'

The deviation from the stoichiometric composition of single-crystal 'Er2Co17' has been determined by theoretical analysis. It is found that the composition of this single-crystal 'Er2Co17' is rich in cobalt, and its real composition is suggested to be Er2-deltaCo17+2 delta (delta = 0.14) on the basis of a comparison of calculations based on the single-ion model with a series of experiments. The values of the Er-Co exchange field H-ex and the crystalline-electric-field (CEF) parameters A(n)(m) at the rare-earth (R) site in the 'Er2Co17' compound are also evaluated at the same time. The experiments provide the following data: the temperature dependence of the spontaneous magnetization of the compounds and the normalized magnetic moment of the Er ion, the magnetization curves dong the crystallographic axes at 4.2 K and 200 K, and the temperature dependence of the magnetization along the crystallographic axes in a field of 4 T.

Optical properties of delta-doped GaAs and GaAs/Al0.1Ga0.9As superlattices

Radiative transition in delta-doped GaAs superlattices with and without Al0.1Ga0.9As barriers is investigated by using photoluminescence at low temperatures. The experimental results show that the transition mechanism of delta-doped superlattices is very different from that of ordinary superlattices. Emission intensity of the transition from the electron first excited state to hole states is obviously stronger than that from the electron ground state to hole states due to larger overlap integral between wavefunctions of electrons in the first excited state and hole states. Based on the effective mass theory we have calculated the self-consistent potentials, optical transition matrix elements and photoluminescence spectra for two different samples. By using this model we can explain the main optical characteristics measured. Moreover, after taking into account the bandgap renormalization energy, good agreement between experiment and theory is obtained.