相关论文: Microscopic understanding of the orbital splitting…

We report on the structural and electronic properties of the interface between the multiferoic oxide YMnO$_3$ and wide band-gap semiconductor GaN studied with the Hubbard-corrected local spin density approximation (LSDA+U) to…

There is steadily increasing evidence that the two-dimensional electron gas (2DEG) formed at the interface of some insulating oxides like LaAlO3/SrTiO3 and LaTiO3/SrTiO3 is strongly inhomogeneous. The inhomogeneous distribution of electron…

Unlike charge and spin, the orbital degree of freedom of electrons in transition metal oxides is difficult to detect. We present the theoretical study of a new detection method in metallic orbitally active systems by analyzing the…

Obtaining an accurate theoretical description of the emergent phenomena in oxide heterostructures is a major challenge. Recently, intriguing paramagnetic spin and pinned orbital moments have been discovered by x-ray magnetic circular…

We consider a model for the two-dimensional electron gas formed at the interface of oxide heterostructures, which includes a Rashba spin-orbit coupling proportional to the electric field perpendicular to the interface. Based on the standard…

The epitaxial growth of crystalline oxides on semiconductors provides a pathway to introduce new functionalities to semiconductor devices. Key to electrically coupling crystalline oxides with semiconductors to realize functional behavior is…

2D electron gases (2DEGs) formed at oxide interfaces provide a rich testbed for fundamental physics and device applications. While the discussion of the physical origins of this phenomenon continues, the recent discovery of oxide 2DEGs at…

In solids, crystal field splitting refers to the lifting of atomic orbital degeneracy by the surrounding ions through the static electric field. Similarly, we show that the degenerated $d$ orbitals, which were derived in the harmonic…

In the two-dimensional electron gas (2DEG) emerging at the transition metal oxide surface and interface, it has been pointed out that the Rashba spin-orbit interaction, the momentum-dependent spin splitting due to broken inversion symmetry…

We show that the growth of the heterostructure LaGaO3/SrTiO3 yields the formation of a highly conductive interface. Our samples were carefully analyzed by high resolution electron microscopy, in order to assess their crystal perfection and…

We present a technique for partitioning the total energy from a semi-local density functional theory calculation into contributions from individual electronic states in a localized Wannier basis. We use our technique to reveal the key role…

Using $t_{2g}$ Wannier-functions, a low-energy Hamiltonian is derived for orthorhombic $3d^{1}$ transition-metal oxides. Electronic correlations are treated with a new implementation of dynamical mean-field theory for non-cubic systems.…

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…

The collective behavior of correlated electrons in the VO$_2-$interface layer of LaVO$_3$/SrTiO$_3$ heterostructure is studied within a quarter-filled $t_{2g}$-orbital Hubbard model on a square lattice. We argue that the ground state is…

The diverse functionality emerging at oxide interfaces calls for a fundamental understanding of the mechanisms and control parameters of electronic reconstructions. Here, we explore the evolution of electronic phases in…

The atomic configuration of phases and their interfaces is fundamental to materials design and engineering. Here, we unveil a transition metal oxide interface, whose formation is driven by energetic influences - epitaxial tensile strain…

Heterostructures made of transition metal oxides are new tailor-made materials which are attracting much attention. We have constructed a 6-band k.p Hamiltonian and used it within the envelope function method to calculate the subband…

We formulate the effective Hamiltonian of Rashba spin-orbit coupling (RSOC) in $\mathrm{LaAlO_3/SrTiO_3}$ (LAO/STO) heterostructures. We derive analytical expressions of properties, e.g., Rashba parameter, effective mass, band edge energy…

Manipulating spin-orbit coupling (SOC) is important for devices such as spin-orbit torque based memory and its understanding is neccessary to answer several fundamental open questions in triplet state superconductivity, topological…

Resonant inelastic x-ray scattering is used to investigate the electronic origin of orbital polarization in nickelate heterostructures taking $\mathrm{LaTiO_3-LaNiO_3-3x(LaAlO_3)}$, a system with exceptionally large polarization, as a model…