相关论文: High-Entropy Rare Earth Tetraborides
YbOCl is a representative member of the van der Waals layered honeycomb rare-earth chalcohalide REChX (RE = rare earth, Ch = O, S, Se, and Te, and X = F, Cl, Br, and I) family reported recently. Its spin ground state remains to be explored…
The family of group IV-VI monochalcogenides has an atomically puckered layered structure, and their atomic bond configuration suggests the possibility for the realization of various polymorphs. Here, we report the synthesis of the first…
Clathrates are a class of inclusion compounds that offer various useful and surprising phenomena, including superconductivity, thermoelectricity, and the potential for high-density ion storage. Stability conditions within the…
Advancements in the synthesis of faceted nanoparticles and colloids have spurred interest in the phase behavior of polyhedral shapes. Regular tetrahedra have attracted particular attention because they prefer local symmetries that are…
The electronic structure of the rare earth nitrides is studied systematically using the {\it ab-initio} self-interaction corrected local-spin-density approximation (SIC-LSD). This approach allows both a localised description of the rare…
Synthesis and crystal structures are described for the compounds Ln2(Ti2-xLnx)O7-x/2, where Ln = Tb, Dy, Ho, Er, Tm, Yb, Lu, and x ranges from 0 to 0.67. Rietveld refinements on X-ray powder diffraction data indicate that in Tb and Dy…
A model for crystal field triplet ground states on rare earth or actinide ions with dipolar and quadrupolar couplings to conduction electrons is studied for the first time with renormalization group methods. The quadrupolar coupling leads…
We present a systematic search for low-energy metastable superhard carbon allotropes by using the recently developed evolutionary metadynamics technique. It is known that cold compression of graphite produces an allotrope at 15-20 GPa. Here…
We present the crystal structures and magnetic properties of RE3Sb3Mg2O14 (La3Sb3Mg2O14, Pr3Sb3Mg2O14, Sm3Sb3Mg2O14, Eu3Sb3Mg2O14, Tb3Sb3Mg2O14, and Ho3Sb3Mg2O14), a family of novel materials based on a perfect geometry 2D rare earth Kagome…
The advent of novel high-entropy oxides has sparked substantial research interest due to their exceptional functional properties, which often surpass the mere sum of their constituent elements' characteristics. This study introduces a…
A unique co-existence of extremely large magnetoresistance (XMR) and topological characteristics in non-magnetic rare-earth monopnictides stimulating intensive research on these materials. Yttrium monobismuthide (YBi) has been reported to…
Structural hierarchy is found in myriad biological systems and has improved man-made structures ranging from the Eiffel tower to optical cavities. Hierarchical metamaterials utilize structure at multiple size scales to realize new and…
The tetraboride HoB4 crystallizes in a tetragonal structure (space group P4/mbm), with the Ho atoms realizing a Shastry-Sutherland lattice. It orders antiferromagnetically at TN1 = 7.1 K and undergoes further magnetic transition at TN2 =…
SmB6 has recently been predicted to be a Topological Kondo Insulator, the first strongly correlated heavy fermion material to exhibit topological surface states. High quality crystals are necessary to investigate the topological properties…
Transition metal nitrides have been suggested to have both high hardness and good thermal stability with large potential application value, but so far stable superhard transition metal nitrides have not been synthesized. Here, with our…
Despite high interest in compact and safe storage of hydrogen in the solid-state hydride form, the design of alloys that can reversibly and quickly store hydrogen at room temperature under pressures close to atmospheric pressure is a…
Compositionally complex materials have demonstrated extraordinary promise for structural robustness in extreme environments. Of these, the most commonly thought of are high entropy alloys, where chemical complexity grants uncommon…
Rare-earth tetraborides ($R$B$_{4}$) have attracted a lot of recent attention due to their intriguing electronic, magnetic, and topological properties. We have theoretically investigated topological properties of PrB$_{4}$, which is unique…
Search of materials with C-N composition hold a great promise in creating materials which would rival diamond in hardness due to the very strong and relatively low-ionic C-N bond. Early experimental and theoretical works on C-N compounds…
We report on the crystal structure and electronic properties of the heavy fermion superconductor UTe2 at high pressure up to 11 GPa, as investigated by X-ray diffraction and electrical resistivity experiments. The X-ray diffraction…