相关论文: Competition of defect ordering and site disproport…

Using density-functional-theory (DFT) calculations with the HSE06 hybrid functional, we accurately evaluate the critical thickness of LaAlO3 film for the intrinsic doping in LaAlO3/SrTiO3 (LAO/STO) heterstructures. The calculated critical…

We explore the structural and electronic properties of the bilayer nickelate La3Ni2O7 on LaAlO3(001) and SrTiO3(001) by using density functional theory including a Coulomb repulsion term. For La$_3$Ni$_2$O$_{7}$/LaAlO$_3$(001), we find that…

We have investigated electronic structures of antiferromagnetic YBaCo_2O_5 using the local spin-density approximation (LSDA) + U method. The charge and orbital ordered insulating ground state is correctly obtained with the strong on-site…

High-temperature superconductivity in bilayer nickelate La$_3$Ni$_2$O$_7$ under pressure has attracted significant interest in condensed matter physics. While early samples exhibited limited superconducting volume fractions, Pr substitution…

Strontium titanate (SrTiO3) is widely used as a promising photocatalyst due to its unique band edge alignment with respect to the oxidation and reduction potential corresponding to oxygen evolution reaction (OER) and hydrogen evolution…

Using real-time spectroscopic ellipsometry, we directly observed a reversible lattice and electronic structure evolution in SrCoOx (x = 2.5 - 3) epitaxial thin films. Drastically different electronic ground states, which are extremely…

Identification of kinetic and thermodynamic factors that control crystal nucleation and growth represents a central challenge in materials synthesis. Here we report that apparently defect-free growth of La$_2$MnNiO$_6$ (LMNO) thin films…

This book chapter reviews the experimental evidence for magnetic phenomena at the LaAlO3/SrTiO3 interface. We argue that essentially all of the signatures of magnetism can be sorted into two distinct categories: (1) magnetic phases (e.g.,…

The weak ferromagnetism of La_{1.99}Sr_{0.01}CuO_4 epitaxial thin films is investigated using magnetoresistance measurement. While a steplike negative magnetoresistance associated with the weak ferromagnetic transition is clearly observed…

We studied the charge-orbital ordering in the superlattice of charge-ordered insulating Pr$_{0.5}$Ca$_{0.5}$MnO$_3$ and ferromagnetic metallic La$_{0.5}$Sr$_{0.5}$MnO$_3$ by resonant soft x-ray diffraction. A temperature-dependent…

By means of ab initio calculations, we study the effect of charge transfer and symmetry mismatch on the magnetic and electronic properties of CaMnO$_3$ ultrathin films, epitaxially grown on SrTiO$_3$ (001). We find that the interplay of…

Using local density approximation (LDA) calculations we predict GdFeO$_3$-like rotation of TiO$_6$ octahedra at the $n$-type interface between LaAlO$_3$ and SrTiO$_3$. The narrowing of the Ti $d$ bandwidth which results means that for very…

The novel electronic properties emerging at interfaces between transition metal oxides, and in particular the discovery of conductivity in heterostructures composed of LaAlO$_3$ (LAO) and SrTiO$_3$ (STO) band insulators, have generated new…

By using DFT+U, we explore the formation of oxygen vacancies and their impact on the electronic and magnetic structure in strained bulk LaNiO3 and (LaNiO3)$_1$/(LaAlO3)$_1$(001) superlattices. For bulk LaNiO3, we find that epitaxial strain…

We study the competition between $\sqrt{3} \times \sqrt{3}$ (RT3) and $q=0$ (Q0) magnetic orders in spin-one and spin-$3/2$ Kagome-lattice XXZ antiferromagnets with varying XY anisotropy parameter $\Delta$, using series expansion methods.…

Motivated by the nickel valence controversy in the perovskite nickelate RNiO_3, we consider a one-dimensional underscreened Kondo chain consisting of alternating spin-1 ("nickel") and electron ("oxygen") sites, which in addition to the…

The two-carrier transport model as proposed for the two-dimensional electron gas formed at the interfaces of oxide heterostructures is investigated by means of a combined perturbation of near ultra-violet radiation and electrostatic field,…

The crystallographic orientation of SrIrO3 surfaces is decisive for the occurrence of topological surface states. We show from DFT computations that (001) and (110) free surfaces have comparable energies, and, correspondingly, we…

Structural phase transition studies employing low-temperature transmission electron microscopy, and low-temperature x-ray diffraction have been carried out on nearly stoichiometric ({\delta}=0.01) and off-stoichiometric ({\delta}=0.12)…

The origin of strain-induced ferromagnetism, which is robust regardless of the type and degree of strain in LaCoO3 (LCO) thin films, is enigmatic despite intensive research efforts over the past decade. Here, by combining scanning…