The compound energy model for compound semiconductors

1996 ◽  
Vol 245 (1-2) ◽  
pp. 125-131 ◽  
Author(s):  
Qing Chen ◽  
Mats Hillert
Calphad ◽  
1996 ◽  
Vol 20 (3) ◽  
pp. 333-341 ◽  
Author(s):  
Mats Hillert

1992 ◽  
Vol 13 (5) ◽  
pp. 459-475 ◽  
Author(s):  
T. I. Barry ◽  
A. T. Dinsdale ◽  
J. A. Gisby ◽  
B. Hallstedt ◽  
M. Hillert ◽  
...  

1986 ◽  
Vol 34 (3) ◽  
pp. 437-445 ◽  
Author(s):  
J.-O. Andersson ◽  
A.Fernandez Guillermet ◽  
M. Hillert ◽  
B. Jansson ◽  
B. Sundman

Author(s):  
D. R. Liu ◽  
S. S. Shinozaki ◽  
R. J. Baird

The epitaxially grown (GaAs)Ge thin film has been arousing much interest because it is one of metastable alloys of III-V compound semiconductors with germanium and a possible candidate in optoelectronic applications. It is important to be able to accurately determine the composition of the film, particularly whether or not the GaAs component is in stoichiometry, but x-ray energy dispersive analysis (EDS) cannot meet this need. The thickness of the film is usually about 0.5-1.5 μm. If Kα peaks are used for quantification, the accelerating voltage must be more than 10 kV in order for these peaks to be excited. Under this voltage, the generation depth of x-ray photons approaches 1 μm, as evidenced by a Monte Carlo simulation and actual x-ray intensity measurement as discussed below. If a lower voltage is used to reduce the generation depth, their L peaks have to be used. But these L peaks actually are merged as one big hump simply because the atomic numbers of these three elements are relatively small and close together, and the EDS energy resolution is limited.


Author(s):  
Dominic Di Toro ◽  
Kevin P. Hickey ◽  
Herbert E. Allen ◽  
Richard F. Carbonaro ◽  
Pei C. Chiu

<div>A linear free energy model is presented that predicts the second order rate constant for the abiotic reduction of nitroaromatic compounds (NACs). For this situation previously presented models use the one electron reduction potential of the NAC reaction. If such value is not available, it has been has been proposed that it could be computed directly or estimated from the electron affinity (EA). The model proposed herein uses the Gibbs free energy of the hydrogen atom transfer (HAT) as the parameter in the linear free energy model. Both models employ quantum chemical computations for the required thermodynamic parameters. The available and proposed models are compared using second order rate constants obtained from five investigations reported in the literature in which a variety of NACs were exposed to a variety of reductants. A comprehensive analysis utilizing all the NACs and reductants demonstrate that the computed hydrogen atom transfer model and the experimental one electron reduction potential model have similar root mean square errors and residual error probability distributions. In contrast, the model using the computed electron affinity has a more variable residual error distribution with a significant number of outliers. The results suggest that a linear free energy model utilizing computed hydrogen transfer reaction free energy produces a more reliable prediction of the NAC abiotic reduction second order rate constant than previously available methods. The advantages of the proposed hydrogen atom transfer model and its mechanistic implications are discussed as well.</div>


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