Modeling the diffusion of Be in InGaAs/InGaAsP epitaxial heterostructures under non-equilibrium point defect conditions

Ketata, K.; Kétata, M.; Koumetz, S.; Marcon, J.; Valet, O.

doi:10.1016/s0921-4526(99)00513-x

Cited by 4 publications

(11 citation statements)

References 9 publications

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“…Here i Be r + and III I q+ are the beryllium atom and group III lattice atom in the interstitial site, respectively; r+ and q+ are the charge states of i Be r + and III I q+ , respectively. As follows from [11,12], a better agreement with the experimental data was achieved for the neutral i Be ¥ and singly positively charged interstitial III I + in comparison with the case of singly positively charged i Be + and doubly positively charged interstitial 2 III I + . However, the determination of the interstitial Be charge state in InGaAs is still an open question (see, for instance, the recent paper Marcon et al [14]).…”

Section: Isupporting

confidence: 57%

“…It was commonly agreed that a local thermodynamic equilibrium held between a substitutionally dissolved beryllium, self-interstitials III I q+ and interstitial beryllium atoms i Be r + [1,[7][8][9][11][12][13][14]. Yoshida et al [15] carried out a qualitative consideration of the kick-out mechanism and found that there was no essential difference between the macroscopic description of impurity diffusion by means of the kick-out mechanism and the mechanism of formation, migration, and dissociation of the pairs "impurity atomself-interstitial".…”

Section: Imentioning

confidence: 99%

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Simulation of p‐type diffusion in compound semiconductor: the case of beryllium implanted in InGaAs

Saad

Fedotov

Velichko

et al. 2006

Physica Status Solidi (b)

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A system of equations describing transient enhanced diffusion of beryllium in InGaAs due to kick‐out mechanism or due to formation, migration, and dissociation of the pairs “beryllium atom–group III self‐interstitial” is proposed and analyzed. Simulation of coupled diffusion of beryllium atoms and self‐interstitials in InGaAs during rapid thermal annealing was done for the case of dual implantation. For the experiment under consideration the first ion implantation of phosphorus atoms produced the region of extended defects that led to “uphill” diffusion of implanted Be in the defect region and in the vicinity of the surface. The suggested reason of “uphill” diffusion could be related to the nonuniform distribution of group III self‐interstitials that was formed due to the absorption of point defects on the extended defects and on the surface of a semiconductor. The calculated dopant profile agreed well with the experimental one and a comparison with the experimental data resulted in obtaining the values of beryllium diffusivity and other parameters describing Be diffusion in InGaAs. Further improvements of the model are also discussed. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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Section: Isupporting

confidence: 57%

Section: Imentioning

confidence: 99%

Simulation of p‐type diffusion in compound semiconductor: the case of beryllium implanted in InGaAs

Saad

Fedotov

Velichko

et al. 2006

Physica Status Solidi (b)

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“…The effective coefficients D() and v(x, ) of Equation (24) are the same as in Equation (18), i.e. they represent smooth and monotone functions of .…”

Section: Equation Of Impurity Diffusion Due To Kick-out Mechanismmentioning

confidence: 99%

“…For simulation of such a two-stream Au diffusion the system of Equations (24) and (13) may be used. To take into account the conversion of non-equilibrium Au interstitials to substitutional sites and generation of gold interstitials due to reaction (25), the terms S AI and G AI were added to the right side of Equation (24). On the other hand, in this work it is supposed that the region of stresses is located behind the region of slow diffusion.…”

Section: Simulationmentioning

confidence: 99%

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Macroscopic description of the diffusion of interstitial impurity atoms considering the influence of elastic stress on the drift of interstitial species

Velichko

2008

Philosophical Magazine

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The diffusion equation for non-equilibrium interstitial impurity atoms taking into account their charge states and drift of all mobile interstitial species in the built-in electric field and in the field of elastic stress is obtained. The obtained generalized equation is equivalent to the set of diffusion equations written for the interstitial impurity atoms in each individual charge state. Due to a number of characteristic features the generalized equation is more convenient for numerical solution than the original system of separate diffusion equations. On this basis, the macroscopic description of stress-mediated impurity diffusion due to a kick-out mechanism is obtained. It is supposed that the interstitial impurity atom makes a number of jumps before conversion to the substitutional position. At the same time, local equilibrium prevails between substitutionally dissolved impurity atoms, non-equilibrium self-interstitials, and interstitial impurity atoms. Also, the derived equation for impurity diffusion due to the kick-out mechanism takes into account all charge states of interstitial impurity atoms as well as drift of interstitial species in the electric field and in the field of elastic stress. Moreover, this equation exactly matches the equation of stress-mediated impurity diffusion due to the generation, migration, and dissociation of the equilibrium 'impurity atom-self-interstitial' pairs.

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Grown-in beryllium diffusion in indium gallium arsenide: An ab initio, continuum theory and kinetic Monte Carlo study

Liu

Manzhos

et al. 2017

Acta Materialia

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A roadblock in utilizing InGaAs for scaled-down electronic devices is its anomalous dopant diffusion behavior; specifically, existing models are not able to explain available experimental data on beryllium diffusion consistently. In this paper, we propose a comprehensive model, taking selfinterstitial migration and Be interaction with Ga and In into account. Density functional theory (DFT) calculations are first used to calculate the energy parameters and charge states of possible diffusion mechanisms. Based on the DFT results, continuum modeling and kinetic Monte Carlo simulations are then performed. The model is able to reproduce experimental Be concentration profiles. Our results suggest that the Frank-Turnbull mechanism is not likely, instead, kick-out reactions are the dominant mechanism. Due to a large reaction energy difference, the Ga interstitial and the In interstitial play different roles in the kick-out reactions, contrary to what is usually assumed. The DFT calculations also suggest that the influence of As on Be diffusion may not be negligible.arXiv:1608.00779v2 [cond-mat.mtrl-sci]

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Modeling the diffusion of Be in InGaAs/InGaAsP epitaxial heterostructures under non-equilibrium point defect conditions

Cited by 4 publications

References 9 publications

Simulation of p‐type diffusion in compound semiconductor: the case of beryllium implanted in InGaAs

Simulation of p‐type diffusion in compound semiconductor: the case of beryllium implanted in InGaAs

Macroscopic description of the diffusion of interstitial impurity atoms considering the influence of elastic stress on the drift of interstitial species

Grown-in beryllium diffusion in indium gallium arsenide: An ab initio, continuum theory and kinetic Monte Carlo study

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