Workshop on thermodynamic modelling of solutions and alloys

A thermodynamic modeling of GaN was carried out to describe the thermodynamic behavior of native defects, dopants, and carriers (free electrons and holes) in GaN semiconductors. The compound energy model (CEM) was used. An unintentionally doped GaN was taken as an example. Oxygen was introduced into the model as the unintentionally doped impurity, according to the practical experimental phenomena. The energies of component compounds in the model were defined based on the results of the ab initio calculations and adjusted to fit experimental data. The thermodynamic properties of the defects and the oxygen doped were calculated to show the facility of the model.

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Phase equilibria, defect chemistry and semiconducting properties of CdTe(s)—Thermodynamic modeling

Chen

Hillert

Sundman

et al. 1998

Journal of Elec Materi

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A thermodynamic analysis of the phase equilibria, defect chemistry, and semiconducting properties for CdTe(s) has been established on the basis of the compound energy model. Reported defect density data from a first-principles calculation have been used together with the experimentally measured phase diagram and carrier concentration data in the evaluation of thermodynamic model parameters. The excellent agreement between the various calculated and most of the experimental data indicates that a consistent thermodynamic description for the CdTe(s) phase has been obtained. This is a good illustration of how phase diagram calculations can be used in the refinement of firstprinciples calculations of defect formation energies.

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Workshop on thermodynamic modelling of solutions and alloys

Cited by 8 publications

References 35 publications

Quantitative Analysis of (La _0.8 Sr _0.2 ) _0.98 MnO _3±δ Electronic Conductivity Using Calphad Approach

Quantitative Analysis of (La _0.8 Sr _0.2 ) _0.98 MnO _3±δ Electronic Conductivity Using Calphad Approach

Thermodynamic modeling of native point defects and dopants of GaN semiconductors

Phase equilibria, defect chemistry and semiconducting properties of CdTe(s)—Thermodynamic modeling

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Workshop on thermodynamic modelling of solutions and alloys

Cited by 8 publications

References 35 publications

Quantitative Analysis of (La 0.8 Sr 0.2 ) 0.98 MnO 3±δ Electronic Conductivity Using Calphad Approach

Quantitative Analysis of (La 0.8 Sr 0.2 ) 0.98 MnO 3±δ Electronic Conductivity Using Calphad Approach

Thermodynamic modeling of native point defects and dopants of GaN semiconductors

Phase equilibria, defect chemistry and semiconducting properties of CdTe(s)—Thermodynamic modeling

Contact Info

Product

Resources

About

Quantitative Analysis of (La _0.8 Sr _0.2 ) _0.98 MnO _3±δ Electronic Conductivity Using Calphad Approach

Quantitative Analysis of (La _0.8 Sr _0.2 ) _0.98 MnO _3±δ Electronic Conductivity Using Calphad Approach