Related papers: Interface hole-doping in cuprate-titanate superlat…
Recent work suggested that head-to-head and tail-to-tail domain walls could be induced to form in ferroelectric superlattices by introducing compensating "delta doping" layers via chemical substitution in specified atomic planes [Phys. Rev.…
In the cuprate superconductor $YBa_2Cu_3O_{6+x}$, hole doping in the $CuO_2$ layers is controlled by both oxygen content and the degree of oxygen-ordering. At the composition $\rm YBa_2Cu_3O_{6.35}$, the ordering can occur at room…
We investigate the superconductivity in two-dimensional electron systems formed in SrTiO3 nanostructures. Our the- oretical analysis is based on the three-orbital model, which takes into account t2g orbitals of Ti ions. Because of the…
Band calculations for the hole doped La$_2$CuO$_4$ system show that artificial periodicities of Ba dopants can give the material different properties than from a uniform distribution of dopants. A periodicity within the planes make static…
Starting with a minimal model for the CuO$_2$ planes with the on-site Hilbert space reduced to a charge triplet of the three effective valence centers [CuO$_4$]$^{7-,6-,5-}$ (nominally Cu$^{1+,2+,3+}$) with different conventional spin,…
Oxide interfaces feature unique two-dimensional (2D) electronic systems with diverse electronic properties such as tunable spin-orbit interaction and superconductivity. Conductivity emerges in these interfaces when the thickness of an…
Using advanced first-principles calculations we predict that the non-polar SrTiO$_3$/SrZrO$_3$ (001) interface, designed as either thin SrZrO$_3$ film deposited on SrTiO$_3$ or short-period (SrTiO$_3$)$_m$/(SrZrO$_3$)$_n$ superlattice, host…
The interface electronic structure of correlated LaTiO$_3$/SrTiO$_3$ superlattices is investigated by means of the charge self-consistent combination of the local density approximation (LDA) to density functional theory (DFT) with dynamical…
We propose a model for high-T$_{c}$ superconductors, valid for $0\leq\delta\leq\delta_{SC}$, that includes both the spin fluctuations of the Cu$^{++}$ magnetic ions and of the O$^{--}$ doped holes. Spin-charge separation is taken into…
The physics of oxide superlattices is considered for pristine (001) multilayers of the band insulators LaAlO3 and SrTiO3 with alternating p and n interfaces. First principles results and a model of capacitor plates offer a simple paradigm…
A material which is an insulator entirely because of interaction effects is called a correlated insulator. Examples are trans-polyacetylene and the cuprate high temperature superconductors. Whereas doping of a band insulator results in a…
LaCrO$_3$ (LCO) / SrTiO$_3$ (STO) heterojunctions are intriguing due to a polar discontinuity along (001), two distinct and controllable interface structures [(LaO)$^+$/(TiO$_2$)$^0$ and (SrO)$^0$/(CrO$_2$)$^-$], and interface-induced…
Recent experimental discoveries have brought a diverse set of broken symmetry states to the center stage of research on cuprate superconductors. Here, we focus on a thematic understanding of the diverse phenomenology by exploring a…
We investigate the nature of the electronic ground state and electron-lattice couplings for doped chains of CuO_4 plaquettes or CuO_6 octahedra. The undoped configuration implies here Cu 3d^9 and O 2p^6 formal valence states. The results of…
The theoretical approach proposed recently for description of redistribution of electronic charge in multilayered selectively doped systems is modified for a system with finite number of layers. A special attention is payed to the case of a…
A mechanism of d_{x^2-y^2}-wave superconductivity is proposed for the high-T_c cuprates based on a spin texture with non-zero topological density induced by doped holes through Zhang-Rice singlet formation. The pairing interaction arises…
In pursuit of creating cuprate-like electronic and orbital structures, artificial heterostructures based on LaNiO$_3$ have inspired a wealth of exciting experimental and theoretical results. However, to date there is a very limited…
In-plane, inter-carrier correlations in hole doped cuprates are investigated by ab initio multiconfiguration calculations. The dressed carriers display features that are reminiscent of both Zhang-Rice (ZR) CuO4 singlet states and…
Superconductivity in cuprates is achieved by doping holes into a correlated charge-transfer insulator. While the correlated character of the parent insulator is now understood, there is no accepted theory for the "normal" state of the doped…
In the hole-doped cuprate superconductors, the superconducting transition temperature $T_c$ exhibits a dome-like feature against the doping rate. By contrast, recent experiments reveal that $T_c$ in the electron-doped systems monotonically…