Direct theoretical evidence for weaker correlations in electron-doped and Hg-based hole-doped cuprates.

ABSTRACT: Many important questions for high-Tc cuprates are closely related to the insulating nature of parent compounds. While there has been intensive discussion on this issue, all arguments rely strongly on, or are closely related to, the correlation strength of the materials. Clear understanding has been seriously hampered by the absence of a direct measure of this interaction, traditionally denoted by U. Here, we report a first-principles estimation of U for several different types of cuprates. The U values clearly increase as a function of the inverse bond distance between apical oxygen and copper. Our results show that the electron-doped cuprates are less correlated than their hole-doped counterparts, which supports the Slater picture rather than the Mott picture. Further, the U values signif

SUBMITTER: Jang SW 

PROVIDER: S-EPMC5025755 | biostudies-literature | 2016 Sep

REPOSITORIES: biostudies-literature