Related papers: From High-Entropy Ceramics (HECs) to Compositional…

Since their discovery around a century ago, the structure and chemistry of the multi-functional half-Heusler semiconductors have been studied extensively as three component systems. The elemental groups constituting these ternary compounds…

A series of new Cr$_{5+x}$Mo$_{35-x}$W$_{12}$Re$_{35}$Ru$_{13}$C$_{20}$ high-entropy alloys (HEAs) have been synthesized and characterized by x-ray diffraction, scanning electron microscopy, electrical resistivity, magnetic susceptibility…

We investigate the formation of Bose-Einstein condensation and population imbalance in a three-component Fermi superfluid by increasing the U(3) invariant attractive interaction. We consider the system at zero temperature in three…

This study aimed to explore and develop a new material with high cost-effectiveness, excellent strength, light weight, high hardness, great wear resistance, corrosion resistance, and favorable oxidation resistance. Structural analysis…

This paper introduces the HEX (High-pressure Elemental Xstals) database, a complete database of the ground-state crystal structures of the first 57 elements of the periodic table, from H to La, at 0, 100, 200 and 300 GPa. HEX aims to…

The AlCrTiV high entropy alloy undergoes an order-disorder transition from body centered cubic (Strukturbericht A2) at high temperatures to the CsCl structure (B2) at intermediate temperatures. We model this transition using first…

The realization of BCS-BEC crossover in superconductors, which smoothly connects Bardeen-Cooper-Schrieffer (BCS) theory with Bose-Einstein Condensation (BEC) in fermion systems, is an intriguing recent topic in strongly correlated electron…

High-entropy alloys (HEAs) are potential candidates for applications as refractory materials. While dual-phase refractory HEAs containing an ordered phase exhibit high hardness, there is high interest in developing intermetallic-free and…

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…

A generic method to estimate the relative feasibility of formation of high entropy compounds in a single phase, directly from first principles, is developed. As a first step, the relative formation abilities of 56 multi-component, AO,…

Since the discovery of superconductivity in a high-entropy alloy (HEA) Ti-Zr-Nb-Hf-Ta in 2014, the community of superconductor science has explored new HEA superconductors to find the merit of the HEA states on superconducting properties.…

High-entropy materials shift the traditional materials discovery paradigm to one that leverages disorder, enabling access to unique chemistries unreachable through enthalpy alone. We present a self-consistent approach integrating…

Topological superconductors have drawn significant interest from the scientific community due to the accompanying Majorana fermions. Here, we report the discovery of electronic structure and superconductivity in high-entropy ceramics…

High Entropy Alloys (HEAs) are designed by mixing multiple metallic species in nearly the same amount to obtain crystalline or amorphous materials with exceptional mechanical properties. Here we use molecular dynamics simulations to…

Newly designed Li-ion battery cathode materials with high capacity and greater flexibility in chemical composition will be critical for the growing electric vehicles market. Cathode structures with cation disorder were once considered…

To quickly screen for single-phased multi-principal-element materials, a so-called entropy forming ability (EFA) parameter is sometimes used as a descriptor. The higher the EFA, the higher is the propensity to form a single-phase structure,…

Circular dichroism (CD) and other chiroptical responses are a key probe of both chirality and momentum-space geometry in solids, but first-principles calculations are still challenging in periodic systems with strong exciton effects. Here,…

The second class of high-temperature superconductors (HTSCs), iron-based pnictides and chalcogenides, necessarily contain Fe$_2$$X_2$ ("$X$" refers to a pnictogen or a chalcogen element) layers, just like the first class of HTSCs which…

Most elemental metals under ambient conditions adopt simple structures such as BCC, FCC and HCP in specific groupings across the Periodic Table, and on compression, many of these elements undergo transitions to surprisingly complex…

Magnetic susceptibility, electrical resistivity and heat capacity data for single crystals of Ce(Rh,Ir)1-x(Co,Ir)xIn5 (0 < x < 1) have allowed us to construct a detailed phase diagram for this new family of heavy-fermion…