Browsing by Subject "Vacancy"

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    • Symmetry and thermodynamics of tellurium vacancies in cadmium telluride 
      Menéndez-Proupin, E.; Casanova-Páez, M.; Montero-Alejo, A. L.; Flores, M. A.; Orellana, W. (Elsevier B.V., 2019)
      The equilibrium geometries and thermodynamic properties of anion vacancies in cadmium telluride, as predicted by density functional theory, are revisited using semilocal and hybrid density functionals. We find that stable ...