相关论文: Electronic structure induced reconstruction and ma…

Electronic structure of NdNiO3 and YNiO3 are calculated by using LSDA+U method with rotational invariance. No orbital order on Ni sites is observed in both systems but different charge orderings. In a small distorting system NdNiO3, all Ni…

The ability to tune magnetic orders, such as magnetic anisotropy and topological spin texture, is desired in order to achieve high-performance spintronic devices. A recent strategy has been to employ interfacial engineering techniques, such…

The magnetic exchange energies in charge ordered La_(1/3)Sr_(2/3)FeO_(3-d) (LSFO) and its parent compound LaFeO_(3) (LFO) have been determined by inelastic neutron scattering. In LSFO, the measured ratio of ferromagnetic exchange between…

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…

We report on surface effects on the electronic properties of interfaces in epitaxial LaAlO$_3$/SrTiO$_3$ heterostructures. Our results are based on first-principles electronic structure calculations for well-relaxed multilayer…

Thin film synthesis methods developed over the past decades have unlocked emergent interface properties ranging from conductivity to ferroelectricity. However, our attempts to exercise precise control over interfaces are constrained by a…

Using first-principles calculations based on the density functional theory, we show a strong strain dependence of magnetic order in (LaMnO$_{3}$)$_n$/(SrMnO$_{3}$)$_{2n}$ (001) superlattices with $n=1,2$. The epitaxial strain lifts the…

The interface between the polar LaAlO$_3$ and nonpolar SrTiO$_3$ layers has been shown to exhibit various electronic and magnetic phases such as two dimensional electron gas, superconductivity, magnetism and electronic phase separation.…

The electronic transport properties of a series of LaAlO_3 / SrTiO_3 interfaces were investigated, and a systematic thickness dependence of the sheet resistance and magnetoresistance was found for constant growth conditions. This trend…

Density functional band calculations have been performed to study LaNiO$_3$/LaAlO$_3$ superlattices. Motivated by recent experiments reporting the magnetic and metal-insulator phase transition as a function of LaNiO$_3$ layer thickness, we…

Ultrathin two-dimensional (2D) electronic systems at the interfaces of layered materials are highly desirable platforms for exploring of novel quantum phenomena and developing advanced device applications. Here, we investigate ultrathin…

The quest to understand, design, and synthesize new forms of quantum matter guides much of contemporary research in condensed matter physics. One-dimensional (1D) electronic systems form the basis for some of the most interesting and exotic…

Depositing disordered Al on top of SrTiO$_3$ is a cheap and easy way to create a two-dimensional electron system in the SrTiO$_3$ surface layers. To facilitate future device applications we passivate the heterostructure by a disordered…

In this contribution we derive and discuss energy levels of the strongly-correlated d2 configuration of the V3+ ion (LaVO3) and of d4 configuration of the Mn3+ ion (LaMnO3) in the octahedral surroundings in the presence of the spin-orbit…

To form a conducting layer at the interface between the oxide insulators LaAlO3 and SrTiO3, the LaAlO3 layer on the SrTiO3 substrate must be at least four unit-cells-thick. The LaAlO3 SrTiO3 heterointerface thus formed exhibits various…

The confinement of the two dimensional electron gas (2DEG), preferential occupancy of the Ti 3d orbital and strong spin-orbit coupling at the LaAlO$_3$/SrTiO$_3$ interface play a significant role in its emerging properties. Here we report a…

The electronic structure of the doped manganites Pr$_{1-x}$Ca$_x$MnO$_3$ was calculated by the LSDA+U method which takes into account the local Coulomb interaction between d-electrons of transition metal ions. In contrast to the standard…

The perovskite SrTiO$_3$-LaAlO$_3$ structure has advanced to a model system to investigate the rich electronic phenomena arising at polar interfaces. Using first principles calculations and transport measurements we demonstrate that an…

The metallic interface between two oxide insulators, such as LaAlO3/SrTiO3 (LAO/STO), provides new opportunities for electronics and spintronics. However, due to the presence of multiple orbital populations, tailoring the interfacial…

The recently-discovered ``ladder'' compound LaCuO$_{2.5}$ has been found to admit hole doping without altering its structure of coupled copper oxide ladders. While susceptibility measurements on the parent compound suggest a spin gap and a…