Related papers: Antiferromagnetic Stabilization in Ti8O12
Altermagnets are a recently discovered class of magnetic materials that combine a collinear, zero-magnetization spin structure, characteristic of antiferromagnets, with spin-split electronic bands, a hallmark of ferromagnets. This unique…
The polar magnets A$_2$Mo$_3$O$_8$ (A=Fe, Mn, Co, and Ni) feature a bipartite structure, where the magnetic A$^{2+}$ ions occupy two different sites with octahedral and tetrahedral oxygen coordinations. This bipartite structure provides a…
The structure and thermodynamic properties of Ti$_x$(HfNbTaZr)$_{(1-x)/4}$ from Refractory High Entropy multicomponent Alloys to pure titanium are investigated employing comprehensive MCSQS realizations of the disordered atomic structure…
Single crystals of a new twinned hexagonal perovskite compound Sr8Os6.3O24 have been synthesized, and structural and magnetic properties have been determined. The compound crystallizes in a hexagonal cell with lattice parameters a =…
High-quality single crystals of EuAuAs were studied by means of powder x-ray diffraction, magnetization, magnetic susceptibility, heat capacity, electrical resistivity and magnetoresistance measurements. The compound crystallizes with a…
First-principles calculations have been performed to study the formation of defect complexes in Ti doped alpha-Al2O3 crystals. The formation energies of isolated Ti3+ and Ti4+ defects, pairs, triples and quadruples of Ti ions and Al…
We discuss an algebraic treatment of four-body clusters which includes both continuous and discrete symmetries. In particular, tetrahedral configurations with T(d) symmetry are analyzed with respect to the energy spectrum, transition form…
Single-atom catalysts have attracted significant attention due to their exceptional atomic utilization and high efficiency in a range of catalytic reactions. However, these systems often face thermodynamic instability, leading to…
Despite the composition close to glassy forming alloys, face centered cubic (FCC) Co81.8Si9.1B9.1, designed based on Co9B atomic cluster (polyhedral), are synthesized as singlephase ribbons successfully. These ribbons, with grain sizes of…
We synthesize a new titanium-oxide compound AlTi2O5 with pseudobrookite-type structure. The formal valence of Ti is 3.5+ that is the same as the Magneli compound Ti4O7 and the spinel compound LiTi2O4. AlTi2O5 exhibits insulating behavior in…
Single crystal of the binary equi-atomic compound GdBi crystallizing in the rock salt type cubic crystal structure with the space group $Fm\bar{3}m$ has been grown by flux method. The electrical and magnetic measurements have been performed…
High-resolution laser-based angle-resolved photoemission measurements have been carried out on Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ (Bi2212) and Bi$_2$Sr$_{2-x}$La$_x$CuO$_{6+\delta}$ (Bi2201) superconductors. Unexpected hybridization between…
First-principles calculations were performed to investigate the ferroelectric properties of barium titanate and bismuth ferrite, as well as phonon dispersion of BaTiO3, using density functional theory and density functional perturbation…
The emergent phenomena such as superconductivity and topological phase transitions can be observed in strict two-dimensional crystalline matters. Artificial interfaces and one atomic thickness layers are typical 2D materials of this kind.…
Most theoretical investigations about titanium oxide clusters focus on (TiO$_2$)$_n$. However, many Ti$_n$O$_m$ clusters with $m\neq 2n$ are produced experimentally. In this work, first-principles calculations are performed to probe the…
Bi-based cuprate superconductors are important materials for both fundamental research and applications. As in other cuprates, the superconducting phase in the Bi compounds lies close to an antiferromagnetic phase. Our density functional…
We report angle-resolved photoemission spectroscopy and first-principles numerical calculations for the band structure evolution of the 3d heavy-fermion compound CaCu3Ru4O12. Below 200 K, we observed an emergent hybridization gap between…
Oxygen-scavenging at oxide heterointerfaces has emerged as a powerful route for stabilizing metastable phases that exhibit interesting phenomena, including high-mobility two-dimensional electron gases and high T$_{c}$ superconductivity. We…
Predicting phase stabilities of crystal polymorphs is central to computational materials science and chemistry. Such predictions are challenging because they first require searching for potential energy minima and then performing arduous…
In order to control and tailor the properties of nanodots, it is essential to separate the effects of quantum confinement from those due to the surface, and to gain insight into the influence of preparation conditions on the dot physical…