Friday, May 3, 2013

1305.0322 (Chuck-Hou Yee et al.)

Tuning the charge-transfer energy in hole-doped cuprates    [PDF]

Chuck-Hou Yee, Gabriel Kotliar
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.
View original: http://arxiv.org/abs/1305.0322

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