Thermodynamic modeling of the PbX (X=S,Te) phase diagram using a five sub-lattice and two sub-lattice model

Five-sublattice and two-sublattice models have been built to describe the PbX (X=S,Te) semiconductors using the CALPHAD method. The five-sublattice model has three additional sublattices to explicitly model interstitials, electrons, and holes. The experimental literature has been critically reviewed...

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Veröffentlicht in:	Calphad 2017-09, Vol.58, p.17-24
Hauptverfasser:	Peters, M.C., Doak, Jeff.W., Zhang, W.-W., Saal, J.E., Olson, G.B., Voorhees, P.W.
Format:	Artikel
Sprache:	eng
Schlagworte:	Assessments CALPHAD Carrier density Computer simulation DFT Electrons Intermetallic compounds Interstitials Ionization Lead tellurides Pb-S Pb-Te Phase diagrams Phase transitions Semiconductors Sulfur Thermodynamic models Thermoelectric
Online-Zugang:	Volltext
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