Related papers: d0 Ferromagnetic Interface Between Non-magnetic Pe…
We use density functional theory methods to study the electronic structures of a series of $s-p$ cubic perovskites $ABX_{3}$: the experimentally available SrBiO$_{3}$, BaBiO$_{3}$, BaSbO$_3$, CsTlF$_{3}$, and CsTlCl$_{3}$, as well as the…
Heterointerfaces have been pivotal in unveiling extraordinary interfacial properties and enabling multifunctional material platforms. Despite extensive research on all-oxide interfaces, heterointerfaces between different material classes,…
With the example of LaInO$_{3}$/BaSnO$_3$, we demonstrate how both density and distribution of a two-dimensional electron gas (2DEG) formed at the interface between these perovskite oxides, can be efficiently controlled by a ferroelectric…
We carry out first-principles calculations for CaTiO$_3$/BaTiO$_3$ superlattices with epitaxial strain corresponding to growth on a SrTiO$_3$ substrate, and consider octahedral rotations as well as ferroelectric distortions. The…
At interfaces between conventional materials, band bending and alignment are classically controlled by differences in electrochemical potential. Applying this concept to oxides in which interfaces can be polar and cations may adopt a mixed…
Interface engineering in perovskite oxide superlattices has developed into a flourishing field, enabling not only further tuning of the exceptional properties, but also giving access to emergent physical phenomena. Here, we reveal a new…
Abundant chemical diversity and structural tunability make organic-inorganic hybrid perovskites (OIHPs) a rich ore for ferroelectrics. However, compared with their inorganic counterparts such as BaTiO$_3$, their ferroelectric key…
Two-dimensional election gases (2DEG), arising due to quantum confinement at interfaces between transparent conducting oxides, have received tremendous attention in view of electronic applications. The challenge is to find a material system…
Magnetoelectric effects are investigated ab-initio at the interface between half-metallic and ferroelectric prototypes: Heusler Co$_2$MnSi and perovskite BaTiO$_3$. For the Co-termination ferroelectricity develops in BaTiO$_3$ down to…
The wealth of complex polar topologies recently found in nanoscale ferroelectrics result from a delicate balance between the materials intrinsic tendency to develop a homogeneous polarization and the electric and mechanic boundary…
A major impediment towards realizing technologies based on the emerging principles of antiferromagnetic spintronics is the shortage of suitable materials. In this paper, we propose a design of polar|nonpolar heterostructures of perovskite…
Perovskite SrIrO3 has long been proposed as an exotic semimetal induced by the interplay between the spin-orbit coupling and electron correlations. However, its low-lying electronic structure is still lacking. We synthesize high-quality…
Perovskite BaSnO3 has an Sn s-orbital conduction band minimum, which makes it of interest as a transparent-conducting oxide parent compound but also contraindicates the ferroelectric instability characteristic of the related compound…
Room temperature ferromagnetic hysteresis is observed in commercial SrTiO$_3$ substrates purchased from a variety of suppliers. It is shown that the ferromagnetic signal comes from the unpolished surfaces. Surface impurity phases cannot be…
Many dipolar topological structures have been experimentally demonstrated in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices, such as flux-closure, vortice, and skyrmion. In this work, we employ deep potential molecular dynamics (MD) to…
In all archetypical reported (001)-oriented perovskite heterostructures, it has been deduced that the preferential occupation of two-dimensional electron gases is in-plane $d_\textrm{xy}$ state. In sharp contrast to this, the investigated…
Two-dimensional electron gas (2DEG) formed at the interface between two insulating oxides offers an opportunity for fundamental research and device applications. Binary alkaline earth metal oxides possess compatible lattice constants with…
By means of a model Hamiltonian approach we study the role of volume expansion, Hund's coupling and electron correlation in the standard hybridization mechanism for ferroelectricity in cubic CaMnO$_3$, a prototypical non-$d^0$ perovskite.…
The magnetic and electronic nature of the gamma-Al2O3/SrTiO3 spinel/perovskite interface is explored by means of x-ray absorption spectroscopy. Polarized x-ray techniques combined with atomic multiplet calculations reveal localized magnetic…
A hysteretic in-plane magnetoresistance develops below the superconducting transition of LaAlO$_3$/SrTiO$_3$ interfaces for $\left|H_{/\!/}\right|<$ 0.15 T, independently of the carrier density or oxygen annealing. We show that this…