Related papers: Dynamical structural instability and its implicati…
Characterizing the dimensionality of the superconducting state in infinite-layer (IL) nickelates is essential for understanding its nature. Most studies have addressed this by examining the anisotropy of the upper critical fields. However,…
NiO6 octahedral tilts in the LaNiO3/SrTiO3 superlattices are quantified using position averaged convergent beam electron diffraction in scanning transmission electron microscopy. It is shown that maintaining oxygen octahedra connectivity…
The discovery of superconductivity in square-planar nickelates has offered a rich materials platform to explore the origins of cuprate-like superconductivity. Experimental investigations however have largely been limited to the…
X-ray absorption spectroscopy and resonant soft x-ray reflectivity show a non-uniform distribution of oxygen holes in a La2NiO4 - La2CuO4 (LNO-LCO) superlattice, with excess holes concentrated in the LNO layers. Weak ferromagnetism with Tc…
In the intricate phase diagram of unconventional superconductors characterized by intertwined electronic orders and superconductivity, a key step in understanding the superconducting mechanism is to investigate the parent compounds from…
Rare-earth nickelates exhibit a metal-insulator transition accompanied by a structural distortion that breaks the symmetry between formerly equivalent Ni sites. The quantitative theoretical description of this coupled electronic-structural…
We report a determinant quantum Monte Carlo study of a two-band model, inspired by infinite-layer nickelates, focusing on the influence of interlayer hybridization between $3d_{x^2-y^2}$ orbitals derived from Ni (or Ni and O) in one layer…
We explore the layered palladium oxides La$_2$PdO$_4$, LaPdO$_2$ and La$_4$Pd$_3$O$_8$ via ab initio calculations. La$_2$PdO$_4$, being low spin $d^8$, is quite different from its high spin nickel analog. Hypothetical LaPdO$_2$, despite its…
Fundamental understanding and control of the electronic structure evolution in rare-earth nickelates is a fascinating and meaningful issue, as well as being helpful to understand the mechanism of recently discovered superconductivity. Here…
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 deploy linear stability analysis to find the threshold wavelength ($\lambda$) and surface tension ($\gamma$) of Rayleigh-Plateau type "peristaltic" instabilities in incompressible neo-Hookean solids in a range of cylindrical geometries…
We investigate the low temperature structural and physical properties of the trilayer nickelates R4Ni3O10 (R = La, Pr and Nd) using resistivity, thermopower, thermal conductivity, specific heat, high-resolution synchrotron powder X-ray…
Inelastic x-ray scattering (IXS) was used to study the Cu-O bond-stretching vibrations in the static stripe phase compound La1.48Nd0.4Sr0.12CuO4. It was found that the intrinsic width in Q-space of the previously reported huge anomalous…
A high temperature electrochemical oxidation process has been used to produce large single crystals of $La_2CuO_{4 + \delta}$ suitable for neutron scattering experiments. Below room temperature the oxygen-rich phases have structural…
We report investigation of structural phase transitions in technologically important material sodium niobate as a function of temperature on heating over 300-1075 K. Our high resolution powder neutron diffraction data show variety of…
The infinite-layer structure nickelate Ba$_2$NiO$_2$(AgSe)$_2$ (BNOAS) with $d^8$ Ni ions and a peculiar susceptibility $\chi(T)$ is studied with correlated density functional methods. The overriding feature of the calculations is violation…
The semiconductor-insulator phase transition of the single-layer manganite La0.5Sr1.5MnO4 has been studied by means of high resolution synchrotron x-ray powder diffraction and resonant x-ray scattering at the Mn K edge. We conclude that a…
The atomically thin MnBi2Te4 crystal is a novel magnetic topological insulator, exhibiting exotic quantum physics. Here we report a systematic investigation of ultrafast carrier dynamics and coherent interlayer phonons in few-layer MnBi2Te4…
We report a $^{139}$La-NMR study of polycrystalline samples of multi($n$)-layered nickelates, La$_3$Ni$_2$O$_{7-\delta}$ ($n=2$) and La$_4$Ni$_3$O$_{10-\delta}$ ($n=3$), at ambient pressure. Measurements of the nuclear magnetic resonance…
The negative thermal expansion (NTE) mechanism in Cu2O has been characterised via mapping of different Cu2O structural flexibility models onto phonons obtained using ab-initio lattice dynamics. Low frequency acoustic modes that are…