Tuning the charge-transfer energy in hole-doped cuprates

ORAL

Abstract

Chemical substitution, combined with strain, allows the charge-transfer energy in hole-doped cuprates to be broadly tuned. We theoretically characterize the structural and electronic properties of the family of compounds R$_2$CuO$_2$S$_2$, constructed by sulfur replacement of the apical oxygens and rare earth substitutions in the parent cuprate La$_2$CuO$_4$. Additionally, the enthalpies of formation for possible synthesis pathways are determined.

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Authors

  • Chuck-Hou Yee

    Kavli Institute of Theoretical Physics, UCSB

  • Gabriel Kotliar

    Department of Physics \& Astronomy, Rutgers University, Piscataway, NJ 08854-8019, USA, Department of Physics, Rutgers University, Dept. of Physics \& Astronomy, Rutgers University, Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA