Tuning Hole Mobility, Concentration, and Repulsion in High-TcT_c Cuprates via Apical Atoms

Using a newly developed first-principles Wannier-states approach that takes into account large on-site Coulomb repulsion, we derive the effective low-energy interacting Hamiltonians for several prototypical high-$T_c$ superconducting cuprates. The material dependence is found to originate primarily from the different energy of the apical atom $p_z$ state. Specifically, the general properties of the low-energy hole state, namely the Zhang-Rice singlet, are significantly modified by a triplet state associated with this $p_z$ state, via additional intra-sublattice hoppings, nearest-neighbor "super-repulsion", and other microscopic many-body processes. Possible implications on modulation of $T_c$, local superconducting gaps, charge distribution, hole mobility, electron-phonon interaction, and multi-layer effects are discussed.Comment: 5 pages, 3 figures, 1 tabl

Regression tree models for designed experiments

Although regression trees were originally designed for large datasets, they can profitably be used on small datasets as well, including those from replicated or unreplicated complete factorial experiments. We show that in the latter situations, regression tree models can provide simpler and more intuitive interpretations of interaction effects as differences between conditional main effects. We present simulation results to verify that the models can yield lower prediction mean squared errors than the traditional techniques. The tree models span a wide range of sophistication, from piecewise constant to piecewise simple and multiple linear, and from least squares to Poisson and logistic regression.Comment: Published at http://dx.doi.org/10.1214/074921706000000464 in the IMS Lecture Notes--Monograph Series (http://www.imstat.org/publications/lecnotes.htm) by the Institute of Mathematical Statistics (http://www.imstat.org