Inductive crystal field control in layered metal oxides with correlated electrons

Abstract

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Orbital Engineering in Symmetry-Breaking Polar Heterostructures

“…Instead of relying on limited epitaxial constraints, we impose bond length and crystal field distortions by using polar fields, resulting from internal charge transfer, to drive ionic distortions. We note that this mechanism has conceptual similarities to a recently proposed "electrostatic strain" approach that uses cation ordering in Ruddlesden-Popper structures to influence the Ni-O bond distortions [34]; however, the magnitude of the effect in our LTNAO system, as measured by One aspect of the LTNAO that can be tuned is the insulator in the heterostructure. To illustrate this tunability, we theoretically consider a series of nickelate superlattices of the type [(LaTiO 3 ) 1 -(LaNiO 3 ) 1 -(insulator)] with different insulators [37].…”

“…The large orbital modification we achieve takes advantage of such heterostructuring and uses robust general physical mechanisms, in particular, the combination of inversion symmetry breaking, charge transfer, and polar structural distortions. The relative complexity of these structures, however, is a challenge for experimental realization [34,35]. We describe here the fabrication and properties of such three-component heterostructures, and we experimentally demonstrate that they exhibit large orbital polarizations (~50% change in orbital occupancy compared to the bulk) as a result of charge transfer and polar fields.…”

Massive band gap variation in layered oxides through cation ordering

“…As there are three different ways to order [LaO] 1 þ and [SrO] 0 planes without cell multiplication, we introduce two structural parameters, l and x, that provide a measure for classifying the orderings, which have both the same composition and number of formula units. This scheme can also describe longer period sequences not directly examined herein, and is also useful to describe the interlayer interactions across disconnected BO 6 units 25 . l and x capture the relative proximities of the positively…”

“…Note that for the Z ¼ 1/3 arrangement in (a), there are two ways to define x as described in ref. 25. Here we take x to be the minimum value, because the interactions from the nearest-neighbour monoxide layers are unscreened by an interleaved perovskite block.…”

Correlation of structural, magnetic, and electronic transitions of a novel charge-gradientYBa2Cu3O∇xfilm

“…Central to understanding the results presented here are the issues of the mechanism of oxygen diffusion within YBa 2 Cu 3 O x under normal conditions, 17 oxygen ordering in the Cu-O chain layer, [18][19][20] the impact of oxygen ordering effects within YBa 2 Cu 3 O x on charge redistribution 14,21-28 and/or changes in interatomic distances [29][30][31][32] within the lattice caused by applied strain, pressure, and/or electro-static bond strain [33][34][35] and, anisotropic strain sensitivity of T c . 14,[21][22][23]36 A large part of our analysis below centers on the correlation of the values of p to oxygen ordering, annealing conditions, and stabilization of predicted Cu-O chain states.…”