Metamorphosis of self-organized quantum dots into quantum wires

Spontaneous formation of InAs quantum wires in InAlAs on InP(001) via sequential chain-like coalescence of quantum dots along [1 (1) over bar 0] is realized. Theoretical calculations based on the energetics of interacting steps provide a qualitative explanation for the experimental results. Sequential coalescence of initially isolated dots reduces the total free energy strikingly. Thus the wire-like structure is energetically favorable. (C) 1998 Elsevier Science B.V.

Energy spectrum and persistent currents in finite-width mesoscopic ring with radial potential barrier threading a magnetic flux through its hole

The energy spectrum and the persistent currents are calculated for a finite-width mesoscopic annulus with radial potential barrier, threading a magnetic flux through the hole of the ring. Owing to the presence of tunneling barrier, the coupling effect leads to the splitting of each radial energy subband of individual concentrical rings into two one. Thus, total currents and currents carried by single high-lying eigenstate as a function of magnetic flux exhibit complicated patterns. However, periodicity and antisymmetry of current curves in the flux still preserve.

Electronic structure and magnetic coupling properties of Gd-doped AlN: first-principles calculations

In this work, the electronic structure and magnetic coupling properties of Gd doped AlN have been investigated using first-principles method. We found that in the AlN:Gd system, due to the s-f coupling allowed by the symmetry, the exchange splitting of the conduction band is much larger than that of the valence band, which makes the electron-mediated ferromagnetism possible in this material. This property is also confirmed by the energy differences between anti-ferromagnetic and ferromagnetic phase for Al14Gd2N16 with different concentrations of electrons (holes), as well as by the calculated exchange constants. The result indicates that Gd-doped AlN is a promising candidate for the applications in future spintronic devices.

Band crossing in isovalent semiconductor alloys with large size mismatch: First-principles calculations of the electronic structure of Bi and N incorporated GaAs

For large size- and chemical-mismatched isovalent semiconductor alloys, such as N and Bi substitution on As sites in GaAs, isovalent defect levels or defect bands are introduced. The evolution of the defect states as a function of the alloy concentration is usually described by the popular phenomenological band anticrossing (BAC) model. Using first-principles band-structure calculations we show that at the impurity limit the N-(Bi)-induced impurity level is above (below) the conduction- (valence-) band edge of GaAs. These trends reverse at high concentration, i.e., the conduction-band edge of GaAs1-xNx becomes an N-derived state and the valence-band edge of GaAs1-xBix becomes a Bi-derived state, as expected from their band characters. We show that this band crossing phenomenon cannot be described by the popular BAC model but can be naturally explained by a simple band broadening picture.

1ST PRINCIPLE CALCULATIONS OF QUASI-PARTICLE ENERGIES FOR BAND STRUCTURES OF SI AND GAAS

We have applied the Green function theory in GW approximation to calculate the quasiparticle energies for semiconductors Si and GaAs. Good agreements of the calculated excitation energies and fundamental energy gaps with the experimental band structures were achieved. We obtained the calculated fundamental gaps of Si and GaAs to be 1.22 and 1.42 eV in comparison to the experimental values of 1.17 and 1.52 eV, respectively. Ab initio pseudopotential method has been used to generate basis wavefunctions and charge densities for calculating dielectric matrix elements and electron self-energies.

1ST PRINCIPLE CALCULATIONS OF QUASI-PARTICLE ENERGIES FOR BAND STRUCTURES OF SEMICONDUCTORS

We successfully applied the Green function theory in GW approximation to calculate the quasiparticle energies for semiconductors Si and GaAs. Ab initio pseudopotential method was adopted to generate basis wavefunctions and charge densities for calculating dielectric matrix elements and electron self-energies. To evaluate dynamical effects of screened interaction, GPP model was utilized to extend dieletric matrix elements from static results to finite frequencies. We give a full account of the theoretical background and the technical details for the first principle pseudopotential calculations of quasiparticle energies in semiconductors and insulators. Careful analyses are given for the effective and accurate evaluations of dielectric matrix elements and quasiparticle self-energies by using the symmetry properties of basis wavefunctions and eigenenergies. Good agreements between the calculated excitation energies and fundamental energy gaps and the experimental band structures were achieved.

Structures of energy spectrum and persistent currents in mesoscopic rings with radial potential barrier in magnetic field

The energy spectrum and the persistent currents are calculated for finite-width mesoscopic annular structures with radial potential barrier in the presence of a magnetic field. The introduction of the tunneling barrier leads to the creation of extra edge states around the barrier and the occurrence of oscillatory structures superimposed on the bulk Landau level plateaus in the energy spectrum. We found that the Fermi energy E-F increases with the number of electrons N emerging many kinks. The single eigenstate persistent current exhibits complicated structures with vortex-like texture, ''bifurcation'', and multiple ''furcation'' patterns as N is increased. The total currents versus N display wild fluctuations.

Energy level analyses of even-parity J=1 and 2 Rydberg states of Sn I by multichannel quantum defect theory

This paper analyzes the energy levels along the even-parity J=1 and 2 Rydberg series of Sn I by multichannel quantum defect theory. A good agreement between theoretical and experimental energy levels was achieved. Below 59198 cm~(-1), a total of 85 and 23 new energy levels, respectively, in the J=1 and J=2 series, which cannot be measured previously by experiments, are predicted in this work. Based on the calculated admixture coefficients of each channel, interchannel interactions were discussed in detail. The results are helpful to understand the characteristics of configuration interaction among even-parity levels in Sn I.