相关论文: Orbital Polarization in Strained LaNiO$_{3}$: Stru…

We use density functional plus $U$ methods to study the effects of a tensile or compressive substrate strain on the charge-ordered insulating phase of LuNiO$_3$. The numerical results are analyzed in terms of a Landau energy function, with…

$Ab$ $initio$ calculations show the presence of a strong magnetoelectric interfacial coupling in CaMnO$_3$ ultra-thin film grown on a strained BaTiO$_3$ ferroelectric film. This heterostructure presents a polarization driven magnetic…

The electronic structure of epitaxial films on LaCoO3(LCO) has been studied within first principle electronic structure calculations. A spin state transition is found to take place as a function of lattice strain which freezes in the…

Deformations in piezoelectric materials lead to conduction effects, which are due to two contributions: the relative displacements of the ionic cores, and the so-called orbital polarization. This work is devoted to the rigorous derivation…

Ultrathin epitaxial films of EuNiO3 were grown on a series of substrates traversing highly compressive (- 2.4%) to highly tensile (2.5%) lattice mismatch. X-ray diffraction measurements showed the expected c-lattice parameter shift for…

We systematically investigate the effect of strain and doping on the polar metal phase in lithium osmate, LiOsO$_3$, using first-principles calculations. We demonstrate that the polar metal phase in LiOsO$_3$ can be controlled by biaxial…

Following the recent report of superconductivity in the bilayer nickelate La$_{3}$Ni$_{2}$O$_{7}$ under pressure, we present an analysis of the electronic and magnetic properties of La$_{3}$Ni$_{2}$O$_{7}$ as a function of pressure using…

We study how strain affects orbital ordering and magnetism at the interface between SrMnO$_3$ and LaMnO$_3$ from density-functional calculations and interpret the basic results in terms of a three-site Mn-O-Mn model. Magnetic interaction…

Micrometric domains of precise ferroelectric polarization have been written into a 20 nm thick epitaxial thin film of BaTiO3(001) (BTO) on a Nb doped SrTiO3 (STO) substrate using PiezoForce Microscopy (PFM). The domain dependent electronic…

Recent years have seen tremendous progress in experimental techniques to create uniaxial strain. Motivated by these advances we investigate the effect of uniaxial strain on LaMnO$_3$ employing ab-initio dynamical mean-field theory, and put…

Epitaxial strain offers an effective route to tune the physical parameters in transition metal oxides. So far, most studies have focused on the effects of strain on the bandwidths and crystal field splitting, but recent experimental and…

Weakly coupled ferroelectric/dielectric superlattice thin film heterostructures exhibit complex nanoscale polarization configurations that arise from a balance of competing electrostatic, elastic, and domain-wall contributions to the free…

Using density functional theory within the local spin density approximation, structural, electronic and magnetic properties of SRO are investigated. We examine the magnitude of the orthorhombic distortion in the ground state and also the…

The influence of correlation effects on the orbital moments for transition metals and their alloys is studied by first-principle relativistic Density Functional Theory in combination with the Dynamical Mean-Field Theory. In contrast to the…

Metal-to-insulator phase transitions in complex oxide thin films are exciting phenomena which may be useful for device applications, but in many cases the physical mechanism responsible for the transition is not fully understood. Here we…

The recent observation of a ferroelectric-like structural transition in metallic LiOsO$_3$ has generated a flurry of interest in the properties of polar metals. Such materials are thought to be rare because free electrons screen out the…

The effect of high tensile strain and low dimensionality on the magnetic and electronic properties of CaMnO$_3$ ultrathin films, epitaxially grown on SrTiO$_3$ substrates, are experimentally studied and theoretically analyzed. By means of…

We investigate the effect of epitaxial strain on [001]-oriented LaAlO3 using first-principles density functional calculations. We find a series of structural phase transitions between states characterized by distinct patterns of tilting of…

The optical properties of LaNiO$_3$ thin films are investigated over a wide energy and temperature range. Thin films of varying thickness were epitaxially grown by pulsed laser deposition on LaAlO$_3$ and SrTiO$_3$ substrates. The optical…

Oxides with $4d$/$5d$ transition metal ions are physically interesting for their particular crystalline structures as well as the spin-orbit coupled electronic structures. Recent experiments revealed a series of $4d$/$5d$ transition metal…