Ab initio study of intrinsic point defects in PbTe: An insight into phase stability

Keyphrases

• Phase Diagram 100%
• Density Functional Theory 100%
• PbTe 100%
• Phase Stability 100%
• Ab Initio Study 100%
• Intrinsic Point Defects 100%
• Calculation of Phase Diagrams (CALPHAD) 66%
• Thermoelectric Materials 33%
• Formation Energy 33%
• P-type 33%
• Thermodynamic Model 33%
• Charged Defects 33%
• Compound Semiconductors 33%
• Non-stoichiometric 33%
• Gibbs Free Energy 33%
• Nonstoichiometry 33%
• Defect Formation Energy 33%
• Conductivity Type 33%

Chemistry

• Density Functional Theory 100%
• Phase Stability 100%
• Crystal Point Defect 100%
• Phase Diagrams 100%
• formation 66%
• Reaction Stoichiometry 33%
• Gibbs Free Energy 33%
• Nonstoichiometric Compound 33%
• Thermoelectric Materials 33%
• stability 33%

Material Science

• Density 100%
• Point Defect 100%
• Compound Semiconductor 33%
• Thermoelectric Materials 33%