Related papers: Boundary-induced phase in epitaxial iron layers
The ultrafast structural response of a thin iron film to sub-ps pulsed laser-induced heating has been investigated using time-resolved X-ray diffraction in the partial melting regime. A tetragonal distortion of the bcc-phase emerges at ~6…
A recent experiment has reported that body-centered cubic (bcc)-structured Ag is realized by bending face-centered cubic (fcc)-structured Ag nanowires [S. Sun {\it et al}., Phys. Rev. Lett. {\bf 128}, 015701 (2022)]. However, the bcc phase…
Paths of tetragonal states between two phases of a material, such as bcc and fcc, are called Bain paths. Two simple Bain paths can be defined in terms of special imposed stresses, one of which applies directly to strained epitaxial films.…
The crystallographic structure of iron under extreme conditions is a key benchmark for cutting-edge experimental and numerical methods. Moreover, it plays a crucial role in understanding planetary cores, as it significantly influences the…
Hybridization of semiconducting and magnetic materials into a single heterostructure is believed to be potentially applicable to the design of novel functional spintronic devices. In the present work we report epitaxial stabilization of…
We present a study of the synthesis of epitaxial V$_2$O$_3$ films on $c$-plane Al$_2$O$_3$ substrates by reactive dc-magnetron sputtering. The results reveal a temperature window, at substantially lower values than previously reported,…
We use density functional theory plus dynamical mean-field theory (DFT+DMFT) to study multiple control parameters for tuning the metal-insulator transition (MIT) in CaVO$_3$ thin films. We focus on separating the effects resulting from…
A morphotropic phase boundary driven by epitaxial strain has been observed in a lead-free multiferroic BiFeO3 thin films and the strain-driven phase transitions were widely reported to be iso-symmetric Cc-Cc ones by recent works. In this…
The structure and stability of iron near melting at multi-megabar pressures are of significant interest in high pressure physics and earth and planetary sciences. While the body-centered cubic (BCC) phase is generally recognized as unstable…
We have grown epitaxial films a few atomic layers thick of iron oxides on ruthenium. We characterize the growth by low energy electron microscopy. Using selected area diffraction and intensity vs. voltage spectroscopy, we detect two…
By means of density-functional calculations, we systematically investigated 24 transition metals for possible metastable phases in body-centered tetragonal structure (bct), including face-centered cubic (fcc) and body-centered cubic (bcc)…
We have investigated the out-of-plane lattice relaxation related to the ferroelectric transitions in epitaxial BaTiO$_3$ (BTO) films using synchrotron X-ray diffraction. Under either compressive strain or tensile strain, there is evidence…
Under high pressures, phase transition, as well as deformation twins, are constantly reported in many BCC metals, whose interactions are of fundamental importance to understand strengthen mechanism of these metals under extreme conditions.…
In metal-insulator transition materials, a small perturbation can shift the delicate balance between competing or coexisting electronic phases, leading to dramatic changes of the material's properties. Using La0.7Sr0.3MnO3, a prototypical…
In the present study we have demonstrated epitaxial stabilization of the metastable magnetically-hard $\varepsilon$-Fe$_2$O$_3$ phase on top of a thin MgO(111) buffer layer grown onto the GaN (0001) surface. The primary purpose to introduce…
Hydrogen uptake into body-centered cubic (bcc) iron as a root cause for subsequent hydrogen embrittlement, is initiated at the surface. In this paper, we quantify how readily H diffuses from the surface into the bulk. We consider a set of…
Using density functional theory, we carried out systematic calculations for a series of ultrathin iron layers with thicknesses ranging from one atomic monolayer to eleven monolayers (up to about 1.5 nm). We considered three cases: (1) iron…
Topological quantum materials that show strongly correlated electrons as well as topological order, for which spin-orbit coupling is a key ingredient, exhibit novel states of matter. One such example is the family of pyrochlore iridates,…
Phase transformations in metallic grain boundaries (GBs) present significant fundamental interest in the context of thermodynamics of low-dimensional physical systems. We report on atomistic computer simulations of the Cu-Ag system that…
The coexisting rhombohedral-like (R', MA) and tetragonal-like (T', MC) monoclinic phases in compressively strained bismuth ferrite thin films exhibit exceptional piezoelectric and magnetic properties. While previous studies have largely…