Related papers: Electronic structure induced reconstruction and ma…
The observation of magnetic interaction at the interface between nonmagnetic oxides has attracted much attention in recent years. In this report, we show that the Kondo-like scattering at the SrTiO3-based conducting interface is enhanced by…
We present a comprehensive first-principles study of the electronic charge redistribution in atomically sharp LaAlO$_3$/SrTiO$_3$(001) heterointerfaces of both n- and p-types allowing for non-stoichiometric composition. Using two different…
The emergence of magnetic reconstructions at the interfaces of oxide heterostructures are often explained via subtle modifications in the electronic densities, exchange couplings, or strain. Here an additional possible route for induced…
We report strong localization of 2D electron gas in LaAlO3 / SrTiO3 epitaxial thin-film heterostructures grown on (LaAlO3)0.3-(Sr2AlTaO3)0.7 substrates by using pulsed laser deposition with in-situ reflection high-energy electron…
Here we investigate LaAlO_3-SrTiO_3 heterostructure with\delta-doping of the interface by LaMnO_3 at less than one monolayer. This doping strongly inhibits the formation of mobile electron layer at the interface. This results in giant…
In this paper we study the possible relation between the electronic and magnetic structure of the TiO2/LaAlO3 interface and the unexpected magnetism found in undoped TiO2 films grown on LaAlO$_3$. We concentrate on the role played by…
The electronic structure of the monoclinic structure of Fe$_3$O$_4$ is studied using both the local density approximation (LDA) and the LDA+$U$. The LDA gives only a small charge disproportionation, thus excluding that the structural…
The 3d electronic structure and phase transition in pure and Cr doped V2O3 are theoretically investigated in relation to the 3d spin-orbit interaction and lattice distortion. A model consisting of the nearest-neighbor V ion pair with full…
At interfaces between oxide materials, lattice and electronic reconstructions always play important roles in exotic phenomena. In this study, the density functional theory and maximally localized Wannier functions are employed to…
Motivated by the recent observation of ambient-pressure superconductivity with $T_c \sim 40$ K in La3Ni2O7 on SrLaAlO4(001) (SLAO), we explore the structural and electronic properties as well as the spin-spin correlation function of this…
We report on first principles Self-Interaction Corrected LSD (SIC-LSD) calculations of electronic structure of LaMnO$_{3}$ in the cubic phase. We found a strong tendency to localisation of the Mn $e_{g}$ electron and to orbital ordering. We…
Recent experimental observations of exchange bias in the La$_{0.67}$Sr$_{0.33}$MnO$_{3}$/LaAlO$_{3}$/SrTiO$_{3}$ heterostructure, which lacks an intrinsic antiferromagnetic layer, have sparked theoretical investigations into the underlying…
We report on the discovery and transport study of the superconducting ground state present at the (111)LaAlO$_3$/SrTiO$_3$ interface. The superconducting transition is consistent with a Berezinskii-Kosterlitz-Thouless transition and its 2D…
The two-dimensional electron gas occurring between the band insulators SrTiO$_3$ and LaAlO$_3$ continues to attract considerable interest, due to the possibility of dynamic control over the carrier density, and the ensuing phenomena such as…
A bottom-up process has been used to engineer the LaAlO3/SrTiO3 interface atomic composition and locally confine the two-dimensional electron gas to lateral sizes in the order of 100 nm. This is achieved by using SrTiO3(001) substrate…
The unconventional magnetotransport at the interface between transition-metal oxides $LaAlO_3$ (LAO) and $SrTiO_3$ (STO) is frequently related to mobile electrons interacting with localized magnetic moments. However nature and properties of…
A combined experimental and theoretical investigation of the electronic structure of the archetypal oxide heterointerface system LaAlO3 on SrTiO3 is presented. High-resolution, hard x-ray photoemission is used to uncover the occupation of…
We investigate the electronic properties of the LaAlO3/SrTiO3 interface using density functional theory. In contrast to previous studies, which relied on (semi-)local functionals and the GGA+U method, we here use a recently developed hybrid…
We report a gradual suppression of the two-dimensional electron gas (2DEG) at the LaAlO3/SrTiO3 interface on substitution of chromium at the Al sites. The sheet carrier density at the interface (ns) drops monotonically from 2.2x10(14) cm-2…
We report on a comprehensive study of the electronic and magnetic structure of the striped nickelate La5/3Sr1/3NiO4. The investigation is carried out using band structure calculations based on density functional theory. A magnetic structure…