Related papers: High-Entropy Rare Earth Tetraborides
Rare-earth (Yb/Gd) complexes with neutral organophosphorus ligands are briefly discussed for their application in liquid scintillation technique. To evaluate the principle feasibility of a high rare-earth loaded scintillator, the ytterbium…
Functionalities of solid-state materials are usually considered to be dependent on their crystal structures. The limited structural types observed in the emerged high-entropy oxides put constraints on exploration of their physical…
Rare earth superhydrides exhibit high temperature superconductivity but are difficult to characterize and use in applications due to their high formation and stability pressures, which are typically in excess of 100 GPa. We studied how…
The abundant chemical compositions in ternary hydrides bring much more possibility to explore high temperature superconductors under lower pressure. Here we constructed 115 ternary hydrides on the basis of the elements substitution using 16…
Bottom-up design of high-entropy ceramics is a promising approach for realizing materials with unique combination of high hardness and fracture-resistance at elevated temperature. This work offers a simple yet fundamental design criterion -…
A single-sample synthesis concept based on multi-element ceramic samples can produce a variety of local products. When applied to cuprate superconductors (SC), statistical modelling predicts the occurrence of possible compounds in a…
The flourishing rare earth superhydrides are a class of recently discovered materials that possess near-room-temperature superconductivity at high pressures, opening a new era of superconductivity research at high pressures. Among these…
High-entropy nanomaterials have been arousing considerable interest in recent years due to their huge composition space, unique microstructure, and adjustable properties. Previous studies focused mainly on high-entropy nanoparticles, while…
The pressure-induced transformation of diatomic nitrogen into non-molecular polymeric phases may produce potentially useful high-energy-density materials. We combine first-principles calculations with structure searching to predict a new…
Electrides are exotic compounds in which excess electrons occupy interstitial regions of the crystal lattice and serve as anions, exhibiting exceptional properties such as low work function, high electron mobility, and strong catalytic…
Theoretical predictions of pressure-induced phase transformations often become long-standing enigmas because of limitations of contemporary available experimental possibilities. Hitherto the existence of a non-icosahedral boron allotrope…
The complex crystal chemistry of elemental boron has led to numerous proposed structures with distinctive motifs as well as contradictory findings. Herein, evolutionary structure searches performed at 100 GPa have uncovered a series of…
Rare-earth hydrides can exhibit high-temperature superconductivity under high pressure. Here, we apply a crystal structure prediction method to the current record-holding $T_c$ material, LaH$_{10}$, and a candidate for even higher $T_c$,…
While hydrogen-rich materials have been demonstrated to exhibit high T$_c$ superconductivity at high pressures, there is an ongoing search for ternary and quaternary hydrides that achieve such high critical temperatures at much lower…
We report the synthesis and systematic studies of a new layered ternary telluride TaPdTe5 with quasi-one-dimensional PdTe2 chains. This compound crystalizes in a layered orthorhombic structure with space group Cmcm. Analysis of its curved…
Here, we designed two promising schemes to realize the high-entropy structure in a series of quasi-two-dimensional compounds, transition metal dichalcogenides (TMDCs). In the intra-layer high-entropy plan, (HEM)X2 compounds with…
Ultra-high temperature ceramics (UHTCs) represent a class of crystalline materials for extreme environments. They can withstand extremely high temperatures but are mechanically difficult to work with due to their inherent brittleness.…
Binary hydrides formed by the pnictogens of phosphorus, arsenic and antimony are studied at high pressures using first principles methods. Stable structures are predicted and their electronic, vibrational and superconducting properties are…
We report crystal structure, electronic structure, and magnetism of manganese tetraboride, MnB4, synthesized under high-pressure high-temperature conditions. In contrast to superconducting FeB4 and metallic CrB4, which are both…
Hexagonal boron nitride (h-BN) is a brittle ceramic with a layered structure, however, recent experiments have suggested that inter-layer structural engineering could be key to new structural and functional properties. Here we report the…