Concentration-Dependence of Self-Interstitial and Boron Diffusion in Silicon

2008 ◽  
Vol 1070 ◽  
Author(s):  
Wolfgang Windl

ABSTRACTIn this paper, we discuss the accuracy of ab-initio calculations for self-interstitial and boron dif-fusion in silicon in light of recent experimental data by de Salvador et al. and Bracht et al. Map-ping the experimental data onto the activation energy vs. Fermi level representation commonly used to display ab-initio results, we show that the experimental results are consistent with each other. While the theoretical LDA value for the boron activation energy as a function of the Fermi level agrees well with experiment, we find for the self-interstitial in line with other calculations an underestimation of the experimental values, despite using total-energy corrections.

2002 ◽  
Vol 57 (6-7) ◽  
pp. 333-336
Author(s):  
Evgenii A. Romanenko ◽  
Alexander M. Nesterenko

IThe 35Cl nuclear quadrupole resonances (77 K) and ab initio calculations of trichloromethyldichlorophosphine () show that it exists in the chess conformation form. The barrier to internal rotation about the P-C bond in I at the RHF/6-31++ G(d,p) level equals to 38.1 kJ mol-1. In chloromethyldichlorophosphine (II) the extension of the basis set up to the RHF/6-311++G(df, pd) level does not improve the description of the most preferable gauche-conformation; only if electron correlation (at the MP2 level) is taken into account the results are in a good agreement with experimental data.


1997 ◽  
Vol 11 (13) ◽  
pp. 585-592
Author(s):  
S. P. Kruchinin ◽  
A. M. Yaremko ◽  
E. V. Mozdor

The new theoretical approach is proposed for study the states responsible for superconductivity of crystals. Within the frameworks of worked out approach it is shown that in electron–phonon system a class of new so-called coupled states arises. Postulated in BCS method electron-pair states k1 + k2 = 0, s + s′ = 0 are in natural manner included in this class. The model numerical calculations have shown that SC gap depends on number of bands crossing the Fermi level on the momenta k1+k2 = K≠ 0 of interacting electrons and that the temperature dependence of SC gap for HTSC is more complicated (in agreement with the recent experimental data) then predicted in BCS approach.


1988 ◽  
Vol 100 ◽  
Author(s):  
L. E. Mosley ◽  
M. A. Paesler ◽  
P. D. Richard

ABSTRACTIt has been observed that doping produces an enhancement in the recrystallization growth rate of silicon made amorphous by ionimplantation. This enhancement has been attributed to a shift of the Fermi level with doping. Evidence supporting this is based on the compensating effect of implantation of n- and p-type dopants together. We have previously proposed a model of the recrystallization growth process based on the diffusion of dangling bonds. We suggested that the rate enhancement is due to band bending at the amorphous-crystalline interface produced by doping. We have calculated the change in activation energy for the recrystallization growth velocity for a number of doping concentrations as a function of temperature. The major contribution to the apparent lowering of the activation energy with doping in an Arrhenius plot of the growth velocity versus I/kT is due to the temperature dependence of the Fermi level. Experimental data are compared with the calculated results. In addition differences in the measured growth rates in thermal and laser annealed samples are discussed, with primary emphasis on the lack of a change in the activation energy with doping in the laser annealed case.


2020 ◽  
Vol 35 (27) ◽  
pp. 2050223
Author(s):  
V. V. Vien

In this work, we suggest a renormalizable [Formula: see text] extension of the Standard Model with [Formula: see text] symmetry in which the observed fermion mass and mixing pattern is consistent with the experimental values given in Ref. 1 at the tree-level. The neutrino mass ordering and the tiny neutrino masses are induced by the type-I seesaw mechanism. The effective neutrino mass parameters are predicted to be [Formula: see text], [Formula: see text] for NO and [Formula: see text], [Formula: see text] for IO which are well consistent with the recent experimental data. The quark masses are in good agreement while the quark mixing matrix has a little difference with the experimental data taken from Ref. 1 and the Cabibbo angle [Formula: see text] is related to the model parameter [Formula: see text] by the formula [Formula: see text].


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