Related papers: High-Entropy Rare Earth Tetraborides
Reaching pressures in the 100 GPa range enables the synthesis of hydrogen-rich compounds, with nontraditional H stoichiometries and H sublattices, called superhydrides. Record-breaking superconductivity temperature in some superhydrides…
Strong electron correlations in rare earth hexaborides can give rise to a variety of interesting phenomena like ferromagnetism, Kondo hybridization, mixed valence, superconductivity and possibly topological characteristics. The theoretical…
A novel carbon allotrope, hexagonal C12, is proposed from crystal chemistry and quantum density functional theory DFT calculations of ground state and physical properties. The structure exhibits corner sharing distorted tetrahedra with the…
Single crystal growth of several rare earth hexaborides has been carried out by the floating zone technique. A high power Xenon arc lamp image furnace was used for the crystal growth. Large high quality crystals of LaB$_{6}$, CeB$_{6}$,…
High-entropy alloys and ceramics containing at least five principal elements have recently received high attention for various mechanical and functional applications. The application of severe plastic deformation (SPD), particularly the…
The theoretical exploration of the phase diagrams of binary hydrides under pressure using \emph{ab initio} crystal structure prediction techniques coupled with first-principles calculations has led to the \emph{in silico} discovery of…
We report on the discovery of a high-entropy alloy with a hexagonal crystal structure. Equiatomic samples in the alloy system Ho-Dy-Y-Gd-Tb were found to solidify as homogeneous single-phase high-entropy alloys. The results of our electron…
Recent discovery of superconductive rare earth/actinide superhydrides has ushered in a new era of superconductivity research at high pressures. This distinct type of clathrate metal hydrides was first proposed for alkaline-earth-metal…
Two new high-entropy ceramics (HECs) in the weberite and fergusonite structures, along with unexpected formation of ordered pyrochlore phases with ultrahigh-entropy compositions and an abrupt pyrochlore-weberite transition, are discovered…
In this work, we have explored via first principles study of mechanical properties including Vickers hardness and mechanical anisotropy, electronic charge density distribution, Fermi surface, thermodynamic and optical properties of the…
New approaches for the design of alloy systems with multiprincipal elements is recently researched in refractory materials field. However, most research aimed at arc melting process with weakness of coarsening of grains and inhomogeneous…
The discovery and control of intergrowth structures represent an important avenue for the targeted synthesis of new, more complex structure types. When including magnetic framework metal atoms, this enhanced complexity can transfer to rich…
Rare-earth chalcohalide REChX (RE = rare earth; Ch = O, S, Se, Te; X = F, Cl, Br, I) is a newly reported family of Kitaev spin liquid candidates. The family offers a platform where a strong spin-orbit coupling meets a van der Waals layered…
A trapped field of over 1 T at 5 K and 0.5 T at 20 K has been measured between a stack of magnetized cylinders of bulk polycrystalline Ba0.6K0.4Fe2As2 superconductors 10 mm in diameter and 18 mm in combined thickness. The trapped field…
Uranium borides are promising candidate fuel forms for use in advanced nuclear reactors due to their high thermal conductivity and potential for dual use as both fuel and burnable absorber materials. In this work, uranium tetraboride…
Both the basic electronic structure of tetraborides, and the changes across the lanthanide series in $R$B$_4$ ($R$ = rare earth) compounds, are studied using the correlated band theory LDA+U method in the all-electron Full Potential Local…
Kitaev spin liquid (KSL) system has attracted tremendous attention in past years because of its fundamental significance in condensed matter physics and promising applications in fault-tolerant topological quantum computation. Material…
While most of the rare earth metals readily form trihydrides, due to increased stability of the filled 4f electronic shell for Yb(II), only YbH$_{2.67}$, formally corresponding to Yb$^{\rm II}$(Yb$^{\rm III}$H$_4$)$_2$ or Yb$_3$H$_8$,…
By electron and X-ray diffraction we establish that the CrB$_4$ compound discovered over 40 years ago crystallizes in the $oP10$ (\emph{Pnnm}) structure, in disagreement with previous experiments but in agreement with a recent…
A new class of three-dimensional topological insulator, ternary rare earth chalcogenides, is theoretically investigated with ab initio calculations. Based on both bulk band structure analysis and the direct calculation of topological…