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.     

Energetics of aluminum-lithium clusters

Energetics and structures of small aluminum-lithium clusters were investigated using structure-minimization and dynamic simulated annealing on the Born-Oppenheimer surface, calculated via local-spin-density functional method. A transition from atomic-based characteristics forn≤5 to a perturbed delocalized electronic cluster-shell behavior forn≥6, containing an AiLi₅ “core”, is suggested.     

Finite difference calculations of buoyant convection in an enclosure: verification of the nonlinear algorithm

Solutions are presented to nonlinear finite difference equations used to represent fire-driven buoyant convection in enclosures. The solutions depend upon the fact that these difference equations permit the decomposition of the discretized velocity field into solenoidal and irrotational components. The irrotational field is shown to satisfy a finite difference analog of Bernoulli's equation when the density is constant. This leads to a three-dimensional time-dependent solution to the difference equations. The solenoidal field is shown to possess steady-state two-dimensional solutions corresponding to a constant non-zero value of the discretized vorticity. The two solutions, together with results presented elsewhere describing finite difference approximations to linear internal waves in enclosures, have been used in the development and testing of the computer-based algorithms used to solve these equations. They have proved particularly useful in assessing the accuracy of finite difference approximations to the equations of inviscid fluid mechanics, as well as in debugging the computer codes implementing these algorithms.     

Continued-fraction expansions for ratios of generalized polynomials

Continued-fraction expansions of Stieltjes and second Cauer from are considered for a ratio of polynomials expressed relative to an arbitrary real orthogonal polynomials basis. Simple tabular arrays are developed for obtaining the coefficients in the expansions. Inverse procedures are also obtained. An application to a diophantine equation, and corresponding results for matrix continued fractions, are also given.     

Projectile coulomb excitation of Ne and Ne

The static quadrupole moments of the first excited J^π = 2⁺ states in ²⁰Ne and ²²Ne and the reduced electric quadrupole transition probabilities of these states to the ground states were measured via projectile Coulomb excitation. The quadrupole moments were deduced from the shapes of γ-ray angular distributions. The results are: Q(²⁰Ne, 2⁺) = −0.20±0.05 b and Q(²²Ne, 2⁺) = −0.11±0.05 b. The transition strengths were deduced from yield measurements and by comparison with the yields of target γ-rays. The results are: B(E2; 0⁺ → 2⁺, ²⁰Ne) = 0.037±0.003 e² · b² and B(E2; 0⁺ → 2⁺, ²²Ne) = 0.025±0.002 e²· b². The results for the transition strengths are consistent with the results of accurate timing methods and resolve discrepancies between previous experiments. The results for the quadrupole moments are consistent with earlier measurements, although the mean values we obtain are slightly lower. The experimental measurements are compared with theoretical predictions and a detailed discussion is given of corrections to this type of reorientation experiment.     

Synthesis and crystal structure of 1,1′-di(ethylpropionato)-2,2′-biimidazole, a macromolecular precursor

1,1,-Di(ethylpropionato)-2,2-biimidazole, C₁₆H₂₂N₄O₄, crystallizes from ice-cold ethanol in the space group P , with a = 4.6742(9), b = 9.1119(13), c = 10.175(2) Å, = 96.22(1), = 96.29(2), = 97.53(1)°, and Z = 1. The molecule crystallizes with coplanar rings and the substituents assume a trans conformation with a center of inversion between the bridging carbon atoms.