First-principles studies of kinetics in epitaxial growth of III–V semiconductors

We demonstrate how first-principles calculations using density-functional theory (DFT) can be applied to gain insight into the molecular processes that rule the physics of materials processing. Specifically, we study the molecular beam epitaxy (MBE) of arsenic compound semiconductors. For homoepitaxy of GaAs on GaAs (001), a growth model is presented that builds on results of DFT calculations for molecular processes on the β2-reconstructed GaAs (001) surface, including adsorption, desorption, surface diffusion, and nucleation. Kinetic Monte Carlo simulations on the basis of the calculated energetics enable us to model MBE growth of GaAs from beams of Ga and As₂ in atomistic detail. The simulations show that island nucleation is controlled by the reaction of As₂ molecules with Ga adatoms on the surface. The analysis reveals that the scaling laws of standard nucleation theory for the island density as a function of growth temperature are not applicable to GaAs epitaxy. We also discuss heteroepitaxy of InAs on GaAs (001), and report first-principles DFT calculations for In diffusion on the strained GaAs substrate. In particular, we address the effect of heteroepitaxial strain on the growth kinetics of coherently strained InAs islands. The strain field around an island is found to cause a slowing down of material transport from the substrate towards the island, and thus helps to achieve more homogeneous island sizes. Received: 2 May 2001 / Accepted: 23 July 2001 / Published online: 3 April 2002     

Gamma-ray spectroscopy of the neutron-rich Ni region through heavy-ion deep-inelastic collisions

Nuclei in the neutron-rich Ni region have been studied by γ-ray spectroscopy. Gamma-rays emitted from isomers, with T _1/2 > 1 ns, produced in heavy-ion deep-inelastic collisions were measured with an isomer-scope. The nuclear structure of the doubly magic ⁶⁸Ni and its neighbor ^69,71Cu is discussed on the basis of the shell model. Future experiments for more neutron-rich Ni nuclei are also viewed. Received: 1 May 2001 / Accepted: 4 December 2001     

Picosecond control of coherent magnetisation dynamics in permalloy thin films by picosecond magnetic field pulse shaping

We have measured the response of a 20×10 μm, 8 nm thin NiFe (80:20) permalloy film due to excitation by short in-plane magnetic field pulses. We will show that using a two-pulse-technique a complete control of the precessional motion of the magnetisation can be achieved on picosecond timescales. Furthermore, we will present numerical calculations which show that a complete suppression of magnetisation ringing after switching can only be realised by a cascade of short field pulses.     

Shell model interaction between proton holes and between proton holes and neutron particles around 208Pb

An effective residual interaction between particles and holes for shell model calculations around ²⁰⁸Pb, derived from the interaction between free nucleons, is compared with the measured properties of proton-hole neutron states in ²⁰⁸Tl and the interaction between proton holes is adjusted to newly measured level energies in ²⁰⁶Hg. These interaction elements are particularly relevant for neutron-rich nuclei. The adjustment of two mixing elements reproduces the known γ-decay data in ²⁰⁸Tl. Received: 2 April 2002 / Accepted: 2 May 2002     

Crystal structure and magnetic ordering of RNi Si compounds

The element distributions and the magnetic ordering behaviour of compounds RNi₁₀Si₂ (R = Tb, Dy, Ho, Er, Tm) have been studied by neutron powder diffraction down to temperatures of 1.6 K. The compounds crystallize in an ordered variant of the ThMn₁₂ structure type in the tetragonal space group P4/nmm. An ordered 1:1 distribution of Ni and Si on sites 4d and 4e, respectively, corresponds to a modulation vector [0, 0, 1] with respect to the space group I4/mmm of the ThMn₁₂ structure. TbNi₁₀Si₂ orders antiferromagnetically below T _N = 4.5 K with a magnetic propagation vector of [0, 0, 1/2]. The magnetic Tb moments, 8.97(2) /Tb atom at 1.6 K, are aligned along the c-axis. The Ni sites in TbNi₁₀Si₂ do not carry any ordered magnetic moments. The compounds with R = Dy, Ho, Er, and Tm are paramagnetic down to 1.6 K and 3.0 K, respectively. Received 10 July 2002 / Received in final form 12 September 2002 Published online 29 October 2002     

Prospects for new physics observations in diffractive processes at the LHC and Tevatron

We study the double-diffractive production of various heavy systems (e.g. Higgs, dijet, and SUSY particles) at LHC and Tevatron collider energies. In each case we compute the probability that the rapidity gaps, which occur on either side of the produced system, survive the effects of soft rescattering and QCD bremsstrahlung effects. We calculate both the luminosity for different production mechanisms, and a wide variety of subprocess cross sections. The results allow numerical predictions to be readily made for the cross sections of all these processes at the LHC and the Tevatron collider. For example, we predict that the cross section for the exclusive double-diffractive production of a 120 GeV Higgs boson at the LHC is about 3 fb, and that the QCD background in the decay mode is about 4 times smaller than the Higgs signal if the experimental missing-mass resolution is 1 GeV. For completeness we also discuss production via or WW fusion. Received: 7 November 2001 / Revised version: 11 December 2001 / Published online: 25 January 2002     

The standard model on non-commutative space-time

We consider the standard model on a non-commutative space and expand the action in the non-commutativity parameter . No new particles are introduced; the structure group is . We derive the leading order action. At zeroth order the action coincides with the ordinary standard model. At leading order in we find new vertices which are absent in the standard model on commutative space-time. The most striking features are couplings between quarks, gluons and electroweak bosons and many new vertices in the charged and neutral currents. We find that parity is violated in non-commutative QCD. The Higgs mechanism can be applied. QED is not deformed in the minimal version of the NCSM to the order considered. Received: 29 November 2001 / Published online: 25 January 2002     

Effect of amorphization on the electronic and lattice specific heat of an Ni2B alloy

The specific heats of the Ni₂B amorphous system and of its crystal analog were studied in the temperature range 3–270 K. The data obtained permitted us to isolate the contribution due to atomic vibrations from the experimentally measured specific heat, determine the electronic density of states at the Fermi level and the temperature dependence of the characteristic Debye parameter Θ, and to calculate some average frequencies (moments) of the vibrational spectrum. The electronic density of states at the Fermi level increases under amorphization. An analysis of the temperature dependence of the lattice specific heat showed that amorphization brings about a substantial growth in the density of vibrational states at low frequencies, whereas the spectrum-averaged and rms frequencies change very little, which is in good agreement with neutron diffraction measurements.     

The simulation of dendrite growth and partial discharges in epoxy resin

A self-consistent model of the development of dendrites and partial discharges in a dielectric solid under a variable voltage is suggested. Dendrites originate at sites with the enhanced local field strength and also where the dielectric is broken down under the action of partial discharges. The numerical simulation is used to quantitatively describe the space-time dynamics of the dendrites and partial discharges in epoxy resin for the tip-plane electrode configuration. The simulated data are compared with electrical measurements of partial discharges and with optical images of dendrite growth under the same conditions.