Related papers: Finding merit in dividing neighbors
Ferroelectricity in atomically thin bilayer structures has been recently predicted1 and measured[2-4] in two-dimensional (2D) materials with hexagonal non-centrosymmetric unit-cells. Interestingly, the crystal symmetry translates lateral…
Outermost occupied electron shells of chemical elements can have symmetries resembling that of monopoles, dipoles, quadrupoles and octupoles corresponding to filled s-, p-, d- and forbitals. Theoretically, elements with hexadecapolar outer…
The efficiency of energy conversion in thermoelectric generators (TEGs) is directly proportional to electrical conductivity and Seebeck coefficient while inversely to thermal conductivity. The challenge is to optimize these interdependent…
The macroscopic behavior of polycrystalline materials is influenced by the local variation of properties caused by the presence of impurities and defects. The effect of these impurities at the atomic scale can either embrittle or strengthen…
The interplay of structural and electronic phases in iron-based superconductors is a central theme in the search for the superconducting pairing mechanism. While electronic nematicity, defined as the breaking of four-fold symmetry triggered…
The current status of research on the carrier-mediated ferromagnetism in tetrahedrally coordinated semiconductors is briefly reviewed. The experimental results for III-V semiconductors, where Mn atoms introduce both spins and holes, are…
Hexagonal Sr0.6Ba0.4MnO3 (SBMO) follows P63/mmc symmetry where MnO6 octahedra are both face-shared (Mn2O9 bi-octahedra) and corner-shared via oxygen anion. It undergoes ferroelectric (FE) and antiferromagnetic (AFM) orderings close to the…
We report the experimental and theoretical studies of a magnetic topological nodal line semimetal candidate HoSbTe. Single crystals of HoSbTe are grown from Sb flux, crystallizing in a tetragonal layered structure (space group: P4/nmm,…
Combined static and molecular dynamics first-principles calculations are used to identify a direct structural link between the metastable crystalline and amorphous phases of Ge2Sb2Te5. We find that the phase transition is driven by the…
Formation of the complex structure with 16 atoms in the orthorhombic cell, space group Cmca (Pearson symbol oC16) was experimentally found under high pressure in the alkali elements (K, Rb, Cs) and polyvalent elements of groups IV (Si, Ge)…
Spinel compounds AB$_{2}$X$_{4}$ consist of both tetrahedral (AX$_{4}$) and octahedral (BX$_{6}$) environments with the former forming a diamond lattice and the latter a geometrically frustrated pyrochlore lattice. Exploring the fascinating…
Since the cuprate materials behave many curious properties, the mechanism that causes high-temperature superconductivity in copper oxide materials (cuprates) has been a controversial topic. To explain these curious properties, we must look…
An archetypical layered topological insulator Bi$_2$Se$_3$ becomes superconductive upon doping with Sr, Nb or Cu. Superconducting properties of these materials in the presence of in-plane magnetic field demonstrate spontaneous symmetry…
Reliable and robust methods of predicting the crystal structure of a compound, based only on its chemical composition, is crucial to the study of materials and their applications. Despite considerable ongoing research efforts, crystal…
Reversible intercalation of hydrogen into samarium nickelate, SmNiO$_3$ (SNO), has been of recent interest. Upon entering SNO, the hydrogen dissociates: the H$^+$ binds to an oxygen and the valence electron localizes on a nearby NiO$_6$…
Perovskite structure is one of the five symmetry families suitable for exhibiting topological insulator phase. However, none of the halides and oxides stabilizing in this structure exhibit the same. Through density functional calculations…
In this paper, we investigate zero-divisor, nilpotent, idempotent, unit, small, and irreducible elements in semiring extensions such as amount, content, and monoid semialgebras. We also introduce new concepts such as the prime avoidance…
Hexagonal SiGe is a promising material for combining electronic and photonic technologies. In this work, the energetic, structural, elastic and electronic properties of the hexagonal polytypes (2$H$, 4$H$ and 6$H$) of silicon and germanium…
Self-assembly of nanoparticles can enable composites with pre-designed properties but remains challenged by reproducing structural diversity of atomic and molecular crystals. We combine anisotropic elastic and weakly screened electrostatic…
Electromagnetic scattering on subwavelength structures keeps attracting attention owing to abroad range of possible applications, where this phenomenon is in use. Fundamental limits of scattering cross-section, being well understood in…