Electronic doping of transition metal oxide perovskites

Antonio Cammarata, James M. Rondinelli

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

CaFeO3 is a prototypical negative charge transfer oxide that undergoes electronic metal-insulator transition concomitant with a dilation and contraction of nearly rigid octahedra. Altering the charge neutrality of the bulk system destroys the electronic transition, while the structure is significantly modified at high charge content. Using density functional theory simulations, we predict an alternative avenue to modulate the structure and the electronic transition in CaFeO3. Charge distribution can be modulated using strain-rotation coupling and thin film engineering strategies, proposing themselves as a promising avenue for fine tuning electronic features in transition metal-oxide perovskites.

Original languageEnglish (US)
Article number213109
JournalApplied Physics Letters
Volume108
Issue number21
DOIs
StatePublished - May 23 2016

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

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