Spontaneous 2D accumulation of charged Be dopants in GaAs p-n superlattices

In a classical view, abrupt dopant profiles in semiconductors tend to be smoothed out by diffusion due to concentration gradients and repulsive screened Coulomb interactions between the charged dopants. We demonstrate, however, using cross-sectional scanning tunneling microscopy and secondary ion mass spectroscopy, that charged Be dopant atoms in GaAs p-n superlattices spontaneously accumulate and form two-dimensional dopant layers. These are stabilized by reduced repulsive screened Coulomb interactions between the charged dopants arising from the two-dimensional quantum mechanical confinement of charge carriers.     

Interfacial roughness and angle dependence of giant magnetoresistance in magnetic superlattices

Using the two-point conductivity formula, we numerically evaluate the giant magnetoresistance (GMR) in magnetic superlattices with currents in the plane of the layers (CIP), from which the effect of the interfacial roughness and magnetization configuration on the GMR is studied. With increasing interfacial roughness, the maximal GMR ratio is found to first increase and then decrease, exhibiting a peak at an optimum strength of interfacial roughness. For systems composed of relatively thick layers, the GMR is approximately proportional to ,where is the angle between the magnetizations in two successive ferromagnetic layers, but noticeable departures from this dependence are found when the layers become sufficiently thin. Received 21 September 1998 and Received in final form 22 December 1998     

Origin of antimony segregation in GaInSb/InAs strained-layer superlattices

We show how cross-sectional scanning tunneling microscopy may be used to reconstruct the Sb segregation profiles in GaInSb /InAs strained-layer superlattices. These profiles are accurately described by a one-dimensional model parametrizing the spatial evolution of an Sb seed at the InAs-on-GaInSb interface in terms of two-anion-layer exchange. We argue that the segregation seed, which decreases from 2 / 3 to 1 / 2 monolayer when growth conditions are made less anion rich, has its origin in the Sb-bilayer reconstruction maintained during GaInSb epitaxy.     

Interfacial reactions: mixed order kinetics and segregation effects

We study A-B reaction kinetics at a fixed interface separating A and B bulks. Initially, the number of reactions R(t) approximately tn(infinity)(A)n(infinity)(B) is second order in the far-field densities n(infinity)(A), n(infinity)(B). First order kinetics, governed by diffusion from the dilute bulk, onset at long times: R(t) approximately x(t)n(infinity)(A), where x(t) approximately t(1/z) is the rms molecular displacement. Below a critical dimension, d0) leads to anomalous decay of interfacial densities. Numerical simulations for z = 2 support the theory.     

Dopant diffusion and segregation in semiconductor heterostructures: Part 1. Zn and Be in III-V compound superlattices

chemical effect on the neutral species; and (ii) a Fermi-level effect on the ionized species, because, in addition to the chemical effect, the solubility of the species also has a dependence on the semiconductor Fermi-level position. For Zn and Be in GaAs and related compounds, their diffusion process is governed by the doubly-positively-charged group III element self-interstitials (I²⁺ _III), whose thermal equilibrium concentration, and hence also the diffusivity of Zn and Be, exhibit also a Fermi-level dependence, i.e., in proportion to p². A heterojunction consists of a space-charge region with an electric field, in which the hole concentration is different from those in the bulk of either of the two layers forming the junction. This local hole concentration influences the local concentrations of I²⁺ _III and of Zn^- or Be^-, which in turn influence the distribution of these ionized acceptor atoms. The process involves diffusion and segregation of holes, I²⁺ _III, Zn^-, or Be^-, and an ionized interstitial acceptor species. The junction electric field also changes with time and position. Received: 20 August 1998/Accepted: 23 September 1998     

Interfacial segregation in Ag-Au,Au-Pd,and Cu-Ni alloys: I. (100) surfaces

Atomistic simulations of segregation to (100) free surface in Ag–Au, Au–Pd, and Cu–Ni alloy systems have been performed for a wide range of temperatures and compositions within the solid solution region of these alloy phase diagrams. In addition to the surface segregation profiles, surface free energies, enthalpies, and entropies were determined. These simulations were performed within the framework of the free energy simulation method, in which an approximate free energy functional is minimized with respect to atomic coordinates and atomic site occupation. The effects of the relaxation with respect to either the atomic positions or the atomic concentrations are discussed. For all alloy bulk compositions (0.05 C 0.95) and temperatures (400 T(K) 1,100) examined, Ag, Au, and Cu segregates to the surface in the Ag–Au, Au–Pd, and Cu–Ni alloy systems, respectively. The present results are compared with several theories for segregation. The resultant segregation profiles in Au–Pd and Ag–Au alloys are shown to be in good agreement with an empirical segregation theory, while in Cu–Ni alloys the disagreement in Ni-rich alloys is substantial. The width of the segregation profile is limited to approximately three to four atomic planes. The surface thermodynamic properties depend sensitively on the magnitude of the surface segregation, and some of them are shown to vary linearly with the magnitude of the surface segregation.     

First-principles study of the segregation of boron dopants near the interface between crystalline Si and amorphous SiO2

We investigate the stability of boron dopants near the interface between crystalline Si and amorphous SiO₂ through first-principles density functional calculations. An interstitial B is found to be more stable in amorphous SiO₂ than in Si, so that B dopants tend to segregate to the interface. When defects exist in amorphous SiO₂, the stability of B is greatly enhanced, especially around Si floating bond defects, while it is not significantly affected near Si–Si dimers, which are formed by O-vacancy defects.     

Si molecular beam Epitaxy: A model for temperature dependent incorporation probabilities and depth distributions of dopants exhibiting strong surface segregation

A model describing the incorporation of thermal dopants into single crystal films grown by molecular beam epitaxy (MBE) is presented. The model is general, accounts for dopant surface segregation during deposition, and allows dopant incorporation probabilities and depth profiles to be calculated as a function of film growth conditions (e.g. deposition rate, dopant beam flux, and growth temperature T_s). Input data to the model include thermodynamic parameters such as the free energy of segregation and dopant-surface binding energies together with kinetic parameters such as incident fluxes and dopant diffusivities. The model is applied here to Si MBE in which common dopants are typically characterized by strong surface segregation and temperature-dependent incorporation probabilities σ. Calculated values of σ(T_s) and calculated depth profiles were found to agree very well with available experimental data for both group-III acceptors and group-V donors in Si. In addition, the model predicts, in agreement with limited experimental data, that a growth parameter range exists in which abrupt doping profiles can be obtained, even for dopants which exhibit strong surface segregation. Finally, transition temperatures from equilibrium to kinetically-limited segregation are determined for several dopants.     

Implanted light dopants in ZnSe

Spin polarized radioactive ¹²B, ¹²N, and ⁸Li probe nuclei are implanted in nominally undoped ZnSe at stationary concentrations ≤ 10¹⁰ cm^-3. These light dopants, one donor and two acceptors, are characterized by β-radiation detected nuclear magnetic resonance (β-NMR) measurements. The donor ¹²B and the acceptor ¹²N show quite similar and rather simple implantation behaviour, the situation is markedly different for the second acceptor ⁸Li, however. This contrast indicates that in semi-insulating ZnSe the structure of dilute impurities is controlled by individual, element-specific properties. This revised version was published online in August 2006 with corrections to the Cover Date.     

Cyclotron masses in InGaAs/GaAs superlattices and InGaAs/AlAs superlattices

Cyclotron resonance (CR) measurements have been carried out to evaluate the effective mass of electron in (InGaAs)_n/(GaAs)_nsuperlattices (SLs) and (InGaAs)_n/(AlAs)_nSLs. To clarify the dependence of cyclotron mass on the monolayer numbern , we measured CR signals using pulsed high-magnetic fields up to 150 T and a far-infrared laser. We found clear cyclotron resonances in the transmission of 10.6 μ m at 75 T at room temperature in (InGaAs)_n/(GaAs)_nSLs and little dependence on the monolayer number n in the SLs. However, for (InGaAs)_n/(AlAs)_nSLs, a large dependence of cyclotron mass on the monolayer number n was observed. We consider that these dependencies are related to the difference between the barrier height in the SLs and the influence of nonparabolicity on the conduction subbands in the SLs.     

Interfacial electronic structure and magnetoelectric effect in M/BaTiO3 (M=Ni,Fe) superlattices

Using first-principles density functional theory, we investigate the interfacial electronic structure and magnetoelectric effect in M/BaTiO₃ (M=Ni, Fe) superlattices, and find a novel type of interfacial magnetoelectric coupling mechanism in the Ni/BaTiO₃ interface. This magnetoelectric effect is determined by the change of magnetic moments on Ni atoms near the interface, instead of the induced moments on interfacial Ti atoms in Fe/BaTiO₃ system, which is also distinguished from the spin-polarized carriers screening mechanism. The underlying physics is the strong interface bonding and the pdσ-type magnetic interactions between Ni 3d and O 2p spins. Furthermore, there exists an extraordinary intralayer oscillation of magnetic moments within the Ni layers, which may be observed in experiments.