Related papers: Structural relaxation and metal-insulator transiti…
We use density functional theory calculations to show that the LaAlO3|SrTiO3 interface between insulating perovskite oxides is borderline in satisfying the Stoner criterion for itinerant ferromagnetism and explore other oxide combinations…
The two-dimensional electron system found between LaAlO3 and SrTiO3 hosts a variety of physical phenomena that can be tuned through external stimuli. This allows for electronic devices controlling magnetism, spin-orbit coupling, and…
The interface between the two band insulators SrTiO3 and LaAlO3 unexpectedly has the properties of a two dimensional electron gas. It is even superconducting with a transition temperature, Tc, that can be tuned using gate bias Vg, which…
Low dimensionality, broken symmetry and easily-modulated carrier concentrations provoke novel electronic phase emergence at oxide interfaces. However, the spatial extent of such reconstructions - i.e. the interfacial "depth" - remains…
Atomically sharp oxide heterostructures exhibit a range of novel physical phenomena that do not occur in the parent bulk compounds. The most prominent example is the appearance of highly conducting and superconducting states at the…
Quantum confinement at complex oxide interfaces establishes an intricate hierarchy of the strongly correlated $d$-orbitals which is widely recognized as a source of emergent physics. The most prominent example is the (001)…
Nanoscale channels realized at the conducting interface between LaAlO$_{3}$ and SrTiO$_{3}$ provide a perfect playground to explore the effect of dimensionality on the electronic properties of complex oxides. Here we compare the electric…
The metal-insulator transition (MIT) in rare-earth nickelates exemplifies the intricate interplay between electronic correlations and lattice dynamics in quantum materials. This work focuses on SmNiO$_3$ as a prototypical system, employing…
We investigated the role of oxygen vacancy in n-type interface of LaAlO3 (LAO) overlayer on SrTiO3 (STO) (001) by carrying out density-functional-theory calculations. Comparing the total energies of the configurations with one vacancy in…
We report on first principles calculations of the electronic structure of La$_{0.7}$Sr$_{0.3}$MnO$_{3}$/SrTiO$_{3}$ junction with two possible types of interface terminations. We find that the La$_{0.7}$Sr$_{0.3}$O/TiO$_{2}$ interface…
We report on our investigation of the electronic structure of Ti$_2$O$_3$ using (hard) x-ray photoelectron and soft x-ray absorption spectroscopy. From the distinct satellite structures in the spectra we have been able to establish…
A rather unique feature of the two-dimensional electron gas (2-DEG) formed at the interface between the two insulators LaAlO3 and SrTiO3 is to host both gate-tunable superconductivity and strong spin-orbit coupling. In the present work, we…
In this paper, the effect of Ar+ bombardment of SrTiO3:Nb surface layers is investigated on the macro- and nanoscale using surface-sensitive methods. After bombardment, the stoichiometry and electronic structure are changed distinctly…
The electronic structures of hexagonal beta-Al9Mn3Si and phi-Al10Mn3 are investigated through self-consistent calculations carried out using the LMTO method. This ab-initio approach is combined with an analysis of a simplified hamiltonian…
La$_3$Ni$_2$O$_7$, a bilayer nickelate with Ruddlesden-Popper structure, undergoes a pressure-induced structural transition from a tilted Amam phase to an untilted Fmmm (or I4/mmm) phase near 10-15 GPa, concomitant with the emergence of…
The effects of lattice relaxation in LaTiO$_3$/SrTiO$_3$ superlattices are investigated using a combination of LDA$+U$ density functional theory, and Hartree-Fock effective Hamiltonian calculations. We find noticeable ($\sim 0.1$--0.2 \AA)…
Epitaxial interfaces and superlattices comprised of polar and non-polar perovskite oxides have generated considerable interest because they possess a range of desirable properties for functional devices. In this work, emergent polarization…
Charge transfer is of particular importance in manipulating the interface physics in transition-metal oxide heterostructures. In this work, we have fabricated epitaxial bilayers composed of polar 3d LaMnO3 and nonpolar 5d SrIrO3. Systematic…
By employing first-principles electronic structure calculations we investigate nickelate superlattices [LaNiO$_3$]$_1$/[LaAlO$_3$]$_1$ and [LaNiO$_3$]$_1$/[SrTiO$_3$]$_1$ with (001) orientation under epitaxial tensile strain. Within density…
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…