A thermodynamic approach to self-diffusion in silicon: Evidence of a single diffusion mechanism?

Saltas, V.; Chroneos, Alexander; Vallianatos, Filippos

doi:10.1016/j.matchemphys.2016.06.050

Cited by 19 publications

(31 citation statements)

References 49 publications

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“…The isothermal bulk modulus B(T) of Si is derived from the relation [37,39] where B s stands for the adiabatic bulk modulus for which experimental data has been reported over the temperature range 293-1273 K [40], is the volumetric coefficient of thermal expansion ( = 3a l ) and γ (= 0.367) is the Grüneisen constant of Si [41]. The calculated isothermal bulk modulus of Si with respect to temperature is shown in Fig.…”

Section: Bulk Properties Of Simentioning

confidence: 99%

“…The cBΩ model by Varotsos and Alexopoulos [22][23][24][25][26] ( g i is proportional to the isothermal bulk modulus B and the mean volume per atom Ω ) is an efficient way to describe the defect processes in materials [20][21][22][23][24][25][26]. In particular, the cBΩ model has been employed to describe a range of systems (oxide fluorites, diamond, Si, AgI, Ge, ZnO, GaAs) for numerous applications (including for example electronic, nuclear, geophysical) [27][28][29][30][31][32][33][34][35][36][37].…”

Section: Introductionmentioning

confidence: 99%

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Mg diffusion in Si on a thermodynamic basis

Saltas

Chroneos

Vallianatos

2018

J Mater Sci: Mater Electron

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In the present work, magnesium diffusion in silicon studied recently in the temperature range 600-1200 °C (Astrov et al. in Phys Status Solidi A 214:1700192, 2017; Shuman et al. in Semiconductors 51:5, 2017) is investigated on the basis of the cBΩ thermodynamic model, which connects point defect parameters with the macroscopic elastic and expansion properties. The calculated activation Gibbs free energy, activation enthalpy, activation entropy, activation volume and activation specific heat of Mg diffusion exhibit non-linear temperature dependence, due to the anharmonic behavior of the isothermal bulk modulus of Si. The calculated activation enthalpy of diffusion (1.67-2.12 eV) is in agreement with the reported experimental value (1.83 ± 0.02 eV) of Mg diffusion in Si, whereas the calculated activation volume (60% of the mean atomic volume) is compatible with the reported interstitial diffusion of Mg impurities.

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Section: Bulk Properties Of Simentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Mg diffusion in Si on a thermodynamic basis

Saltas

Chroneos

Vallianatos

2018

J Mater Sci: Mater Electron

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“…In the cBΩ model, the defect Gibbs energy is assumed to be proportional to the isothermal bulk modulus (B) and the mean volume per atom (Ω). Recent advances in computational materials science and experimental techniques have regenerated the interest in its use to predict defect processes under extreme conditions [110][111][112][113][114][115][116][117][118][119].…”

Section: Summary and Future Outlookmentioning

confidence: 99%

Toward Defect Engineering Strategies to Optimize Energy and Electronic Materials

et al. 2017

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Abstract:The technological requirement to optimize materials for energy and electronic materials has led to the use of defect engineering strategies. These strategies take advantage of the impact of composition, disorder, structure, and mechanical strain on the material properties. In the present review, we highlight key strategies presently employed or considered to tune the properties of energy and electronic materials. We consider examples from electronic materials (silicon and germanium), photocatalysis (titanium oxide), solid oxide fuel cells (cerium oxide), and nuclear materials (nanocomposites).

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“…This model has been successfully applied to calculate point-defect processes as well as self-diffusion and hetero-diffusion parameters within a wide range of materials, [18][19][20][21][22][23][24][25][26] and in various minerals with geophysical applications. [27][28][29][30][31][32][33][34][35][36][37][38][39][40][41] When this relation is differentiated with respect to pressure…”

Section: Thermodynamic Modelmentioning

confidence: 99%

Thermodynamic estimation the compressibility of ferropericlase under high pressure

Zhang

2016

AIP Advances

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The elastic properties of (Mg1-xFex)O ferropericlase are essential to analyze seismic data and to constrain its chemical composition in the lower mantle. In this study, we suggest a simple thermodynamic model that enables the estimation of the bulk moduli of (Mg1−xFex)O ferropericlase as a function of component x in terms of the elastic data of the end members. Our calculated bulk moduli compare favorably with reported experimental data when uncertainties are considered.

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A thermodynamic approach to self-diffusion in silicon: Evidence of a single diffusion mechanism?

Cited by 19 publications

References 49 publications

Mg diffusion in Si on a thermodynamic basis

Mg diffusion in Si on a thermodynamic basis

Toward Defect Engineering Strategies to Optimize Energy and Electronic Materials

Thermodynamic estimation the compressibility of ferropericlase under high pressure

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