Related papers: Understanding Interface Stability in RENi2/Ni thro…
The realization of ambient-pressure superconductivity in La$_3$Ni$_2$O$_7$ thin films raises a fundamental question: is the metallic ground state driven by lattice strain or interfacial charge reconstruction? Using fully self-consistent…
Complex morphologies and microstructures that emerge during materials growth and solidification are often determined by both equilibrium and kinetic properties of the interface and their crystalline anisotropies. However limited knowledge…
We investigate departures from local thermodynamic equilibrium (NLTE) in the line formation of neutral and singly ionised iron lines and their impact on spectroscopic stellar parameters. The calculations are performed for an extensive grid…
Density functional theory (DFT) based first-principles investigations of structural, elastic, electronic band structure, and optical properties of superconducting ternary phosphides (BaM2P2; M = Ni, Rh) have been carried out in this study.…
LiNiO2 has high energy density but easily reacts with moisture in the atmosphere and deteriorates. We performed qualitative and quantitative evaluations of the degraded phase of LiNiO2 and the influence of the structural change on the…
The results of first-principles electronic structure calculations for the nitrogen-rich nickel nitrides $ {\rm NiN} $ and $ {\rm Ni_2N} $ are presented. The calculations are based on density functional theory and used the generalized…
A new \textit{D0$_{23}$} metastable phase of Cu$_3$Au is found to grow at the interfaces of Au/Cu multilayers deposited by magnetron sputtering. The extent of formation of this novel alloy phase depends upon an optimal range of interfacial…
BaNi$_2$As$_2$, a non-magnetic superconductor counterpart to BaFe$_2$As$_2$, has been shown to develop nematic order, multiple charge orders, and a dramatic six-fold enhancement of superconductivity via isovalent chemical substitution of Sr…
Direct observations using scanning transmission electron microscopy unveil an intriguing interfacial bi-layer that enables epitaxial growth of a strain-free, monoclinic, bronze-phase VO2(B) thin film on a perovskite SrTiO3 (STO) substrate.…
We employ first-principles density functional theory (DFT) calculations to investigate the structural, electronic, and catalytic properties of biphenylene supported on various metal substrates. The substrates considered are the (111)…
We investigate one-dimensional harmonically trapped two-component systems for repulsive interaction strengths ranging from the non-interacting to the strongly interacting regime for Fermi-Fermi mixtures. A new and powerful mapping between…
When a soft glassy colloidal suspension is displaced by a Newtonian fluid in a radial Hele-Shaw geometry, the pattern morphology that develops at the interface is determined by the complex rheology of the former. We had reported in an…
The magnetic anisotropy and magnetic interactions at the interface between Fe and NiO(001) were investigated. Depending on the growth conditions of the NiO(001) layers and the post-annealing temperature, the preferential magnetization…
Rare-earth nickelates RNiO$_2$ adopting an infinite-layer phase show superconductivity once La, Pr or Nd are substituted by a divalent cation. Either in the pristine or doped form, these materials are reported to adopt a high symmetry,…
The interaction of atomic orbitals at the interface of perovskite oxide heterostructures has been investigated for its profound impact on the band structures and electronic properties, giving rise to unique electronic states and a variety…
Superconductivity has recently been observed in Sr-doped NdNiO2 films grown on SrTiO3. Whether it is caused by or related to the interface remains an open question. To address this issue, we use density functional theory calculation and…
We present a continuum model for symmetry-breaking phase transformations in intercalation compounds, based on Ericksen's multi-well energy formulation. The model predicts the nucleation and growth of crystallographic microstructures in…
We investigate the ground state of a one-dimensional lattice system that hosts two different kinds of excitations (species) which interact with a power-law potential. Interactions are only present between excitations of the same kind and…
The elastic energy of a bending-resistant interface depends both on its geometry and its material composition. We consider such a heterogeneous interface in the plane, modeled by a curve equipped with an additional density function. The…
We employ accurate density functional theory calculations to examine the electronic structure of three Ni/SrO$_2$ nanostructures containing single-layer, bilayer and four-layer Ni nanosheets. The single Ni layer interacts strongly with the…