A thermodynamic approach of self- and hetero-diffusion in GaAs: Connecting point defect parameters with bulk properties

V. Saltas, Alexander Chroneos, F. Vallianatos

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Abstract

The self- and hetero-diffusion in GaAs is investigated in terms of the cBΩ thermodynamic model, which connects point defect parameters with the bulk elastic and expansion properties. Point defect thermodynamic properties such as, activation enthalpy, activation volume, activation Gibbs free energy, activation entropy and isobaric specific heat of activation are calculated as a function of temperature for Ga, H and various n- and p-type dopants (Si, Be, Cr, Fe and Zn) diffused in GaAs. The present calculations are in good agreement with the reported experimental results. The pressure dependence of Ga self-diffusion is also investigated and the diffusivities and activation volumes are predicted at different temperatures from ambient pressure up to 10 GPa, above which GaAs is transformed into the orthorhombic structure. The activation volumes of dopants are also estimated at high temperature (1124 K), as a function of pressure.
Original languageEnglish
Pages (from-to)53324-53330
Number of pages7
JournalRSC Advances
Volume58
Issue number6
DOIs
Publication statusPublished - 26 May 2016

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Point defects
Chemical activation
Thermodynamics
Doping (additives)
Gibbs free energy
gallium arsenide
Temperature
Specific heat
Enthalpy
Entropy
Thermodynamic properties

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A thermodynamic approach of self- and hetero-diffusion in GaAs : Connecting point defect parameters with bulk properties. / Saltas, V.; Chroneos, Alexander; Vallianatos, F.

In: RSC Advances, Vol. 58, No. 6, 26.05.2016, p. 53324-53330.

Research output: Contribution to journalArticle

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