First-principles studies of defect behaviour in bismuth germanate

HIGHLIGHTS

  • who: Salawu Omotayo Akande from the and have published the research work: First-principles studies of defect behaviour in bismuth germanate, in the Journal: Scientific Reports Scientific Reports
  • what: The analysis of the electronic structure was carried out on the most favourable defect types. The investigation shows that all of the considered dopant systems are less stable in the presence of O vacancy than the pristine BGO system with the Ce-doped system being the most stable of all the considered REE dopants. The investigation examined different rare earth dopants and their formation energies.
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