Related papers: Maximizing solubility in rock salt high-entropy ox…
Phase diagrams of isoelectronic Eu$_{1-x}$Gd$_x$O and Eu$_{1-x}$Gd$_{x}$S quasi-binary alloy systems are constructed using first-principles calculations combined with the standard cluster expansion approach and Monte-Carlo simulations. The…
We study order transitions and defect formation in a model high-entropy alloy (CuNiCoFe) under ion irradiation by means of molecular dynamics simulations. Using a hybrid Monte-Carlo/molecular dynamics scheme a model alloy is generated which…
High-entropy materials have emerged as a promising class of catalysts, driven by their high configurational entropy originating from structural disorder in single-phase multicomponent systems. Despite their potential, the catalytic…
We propose an efficient computational methodology for predicting the synthesizability of high entropy oxides (HEOs) in a large space of possible candidate compounds. HEOs are a growing field with an enormous potential chemical composition…
Structure and lattice dynamics of the (001) surface of Sr$_2$CuO$_2$Cl$_2$ have been studied by helium atom scattering (HAS). Analysis of diffraction patterns obtained by elastic HAS revealed a surface periodicity consistent with bulk…
Structural phase transitions often couple to magnetic and electronic degrees of freedom, enabling emergent phenomena in solids. In high-entropy oxides (HEOs), which typically stabilize in highly symmetric cubic phases, such transitions are…
Because of the enormous number of possible compositions, comparable to the number of stars in the universe, high-entropy alloys (HEAs) constitute a virtually inexhaustible materials space with highly versatile properties. Among these…
Iron(II) monoxide (FeO) is thermodynamically stable in the halite (w\"ustite) structure only at elevated temperatures in a typically non-stoichiometric, Fe-deficient, Fe$_{1-z}$O form that tends to phase separate and/or transform into…
We investigate the phase diagram of the heterostructural solid solution (InxGa1-x)2O3 both computationally, by combining cluster expansion and density functional theory, and experimentally, by means of TEM measurements of pulsed laser…
Traditionally, increasing compositional complexity and chemical diversity of high entropy alloy ceramics whilst maintaining a stable single-phase solid solution has been a primary design strategy for the development of new ceramics.…
Solid solubility (SS) is one of the most important features of alloys, which is usually difficult to be largely tuned in the entire alloy concentrations by external approaches. Some alloys that were supposed to have promising physical…
We present optimization of [(15 $\unicode{x212B}$) Ni$_{80}$Fe$_{20}$/(5 $\unicode{xC5}$) M]$_{20}$ single crystal multilayers on (001) MgO, with M being Cu, Cu$_{50}$Pt$_{50}$ and Pt. These superlattices were characterized by…
Issues pertinent to the miscibility gap at 800K in a Fe73.7Cr26.3 alloy viz. the kinetics of the phase decomposition and borders of the latter were investigated by means of the M\"ossbauer-effect spectroscopy. The kinetics was revealed to…
Medium- and high-entropy alloys (M/HEAs) mix multiple principal elements with near-equiatomic composition and represent a paradigm-shift strategy for designing new materials for metallurgy, catalysis, and other fields. One of the core…
Among the 'beyond Li-ion' battery chemistries, nonaqueous Li-O$_2$ batteries have the highest theoretical specific energy and as a result have attracted significant research attention over the past decade. A critical scientific challenge…
Modern battery materials can contain many elements with substantial site disorder, and their configurational state has been shown to be critical for their performance. The intercalation voltage profile is a critical parameter to evaluate…
L12 precipitates are known to significantly enhance the strength and ductility of single-phase face-centered cubic (FCC) medium- or high-entropy alloys (M/HEAs). However, further improvements in mechanical properties remain untapped, as…
Transition metals (TMs) implanted in oxides with rock-salt crystal structures (for example MgO and BaO) are assumed to substitute cations (Mg in case of MgO) from the lattice sites. We show that not all implanted TMs substitute cations but…
High entropy oxides (HEOs) are a class of materials, containing equimolar portions of five or more transition metal and/or rare-earth elements. We report here about the layer-by-layer growth of HEO…
High-entropy oxides (HEOs) are a new class of materials that are promising for a wide range of applications. Designing HEOs needs to consider both geometric compatibility and electrical equilibrium. However, there is currently no available…