Related papers: Planar Hexacoordinate Silicon
Cerium hexaboride is a cubic f-electron heavy-fermion compound that displays a rich array of low-temperature magnetic ordering phenomena which have been the subject of investigation for more than 50 years. Its complex behaviour is the…
Several commonly observed physical and biological systems are arranged in shapes that closely resemble an honeycomb cluster, that is, a tessellation of the plane by regular hexagons. Although these shapes are not always the direct product…
We perform systematic investigation on the geometric, energetic and electronic properties of group IV-VI binary monolayers (XY), which are the counterparts of phosphorene, by employing density functional theory based electronic structure…
Optical bound states in the continuum (BICs) provide a way to engineer very narrow resonances in photonic crystals. The extended interaction time in such systems is particularly promising for enhancement of nonlinear optical processes and…
The orientational correlation scheme introduced earlier for tetrahedral molecules is extended for being able to classify orientational correlations between pairs of high symmetry molecules. While in the original algorithm a given…
This work employs a new approach to analyze coupled-resonator circuits to design and manufacture a fully metallic dual polarization frequency selective surface (FSS). The proposed filtering structure is composed of a series of unit cells…
Global minimum structures of neutral (Fe2O3)n clusters with n = 1-5 were determined employing the genetic algorithm in combination with ab initio parameterized interatomic potentials and subsequent refinement at the density functional…
The minerals A2Cu3O(SO4)3 (A2=Na2, NaK, K2) constitute quantum spin systems with copper hexamers as basic structural units. Strong intra-hexamer spin couplings give rise to an effective triplet ground-state. Weak inter-hexamer spin…
Recent experiments show the spontaneous breaking of rotational symmetry in the superconducting topological insulators M$_{x}$Bi$_{2}$Se$_{3}$ (M represents Cu, Sr, or Nd), suggesting that the pairing belongs to a two-dimensional…
Semiconductor microcavities, in which strong coupling of excitons to confined photon modes leads to the formation of exciton-polariton modes, have increasingly become a focus for the study of spontaneous coherence, lasing, and condensation…
For a three dimensional system we answer two questions, how simple a particle system might be to show the quasicrystal order and, what system features are the most important for quasicrystal formation? One-component system of particles with…
Understanding the structure and dynamics of Earth's inner core is essential for constraining its composition, thermal evolution, and seismic properties. Silicon is a probable major component of Earth's core. Using first-principles molecular…
The palladium-iron-arsenides Ca10(Fe1-xPdxAs)10(Pd3As8) were synthesized by solid state methods and characterized by X-ray powder and single crystal diffraction. The triclinic crystal structure (space group P-1) is isotypic to the homologue…
Heterostructures composed of ferromagnetic La0.7Sr0.3MnO3, ferromagnetic SrRuO3, and superconducting YBa2Cu3Ox were studied experimentally. Structures of composition Au/La0.7Sr0.3MnO3/SrRuO3/YBa2Cu3Ox were prepared by pulsed laser…
Ferroelectric materials exhibit a switchable, spontaneous polarization at the unit cell level--an attractive property utilized in many emerging technologies including, among others, high-density memory storage, low-power transistors, and…
The theoretical formalism of the local density approximation (LDA) to density functional theory (DFT) has been used to study the electronic and geometric structures of SimCn (1<=m, n<=4;n<=m) clusters. An all electron 6-311++G** basis set…
Twelve two-dimensional group-IV monochalcogenide monolayers (SiS, SiSe, SiTe, GeS, GeSe, GeTe, SnS, SnSe, SnTe, PbS, PbSe, and PbTe) with a buckled honeycomb atomistic structure--belonging to symmetry group P3m1--and an out-of-plane…
The electronic structures of hexagonal beta-Al9Mn3Si and phi-Al10Mn3 are investigated through self-consistent calculations carried out using the LMTO method. This ab-initio approach is combined with an analysis of a simplified hamiltonian…
We use first principles calculations to study the electronic properties of rock salt rare earth monopnictides La$X$ ($X=$N, P, As, Sb, Bi). A new type of topological band crossing termed `linked nodal rings' is found in LaN when the small…
Two-component mixtures in optical lattices reveal a rich variety of different phases. We employ an exact diagonalization method to obtain the relevant correlation functions in hexagonal optical lattices to characterize those phases. We…