Related papers: Planar Hexacoordinate Silicon
Analysis of the electron density distribution in clusters composed of hydrogen fluoride, water, and ammonia molecules, especially within the hydrogen-bond domains, reveals the existence of both \sigma- and \pi-binding between molecules. The…
High-frequency pulse electron paramagnetic resonance (EPR) and electron nuclear double resonance (ENDOR) were used to clarify the electronic structure of the color centers with an optically induced high-temperature spin-3/2 alignment in…
We show that attractive two-dimensional spinor Bose-Einstein condensates with helicoidal spatially periodic spin-orbit coupling (SOC) support a rich variety of stable fundamental solitons and bound soliton complexes. Such states exist with…
Exciton-polaritons are a coherent electron-hole-photon (e-h-p) system where condensation has been observed in semiconductor microcavities. In contrast to equilibrium Bose-Einstein condensation (BEC) for long lifetime systems, polariton…
We investigate tunable electric polarization and electronic structure of quasi-two-dimensional (quasi-2D) allotropes of selenium, which are formed from their constituent one-dimensional (1D) structures through an inter-chain interaction…
Following the identification of the pi bond in graphene, in this work, a pi bond constructed through side-to-side overlap of half-filled 6pz orbitals was observed in a non-carbon crystal of Pb1-xSnxSe (x=0.34) (PSS), a prototype topological…
In materials without an inversion center of symmetry the spin degeneracy of the conducting band is lifted by an antisymmetric spin orbit coupling (ASOC). Under such circumstances, spin and parity cannot be separately used to classify the…
The series of intermetallic compounds $R$NiSi$_3$ ($R$ = rare earth) shows interesting magnetic properties evolving with $R$ and metamagnetic transitions under applied magnetic field for some of the compounds. The microscopic magnetic…
We present a model for molecular materials made up of polar and polarizable molecular units. A simple two state model is adopted for each molecular site and only classical intermolecular interactions are accounted for, neglecting any…
The electronic structure of FeSe, the simplest iron based superconductor (Fe-SC), conceals a potential of dramatic increase of Tc that realizes under pressure or in a single layer film. This is also the system where nematicity, the…
This paper presents a new highly stable periodic approximant to the Al-based F-type icosahedral quasicrystals, i-Al-Pd-TM (TM=transition metals). The structure of this intermetallic Al-Pd-Cr-Fe compound is determined ab initio using…
Recently, significant research efforts have been made to develop complex nanostructures to provide more sophisticated control over the optical and electronic properties of nanomaterials. However, there are only a handful of semiconductors…
We calculate the angular dependence of the x-ray linear and circular dichroism at the $L_{2,3}$ edges of $\alpha$-Fe(II) Phthalocyanine (FePc) thin films using a ligand field model with full configuration interaction. We find the best…
When W is a finite Coxeter group of classical type (A, B, or D), noncrossing partitions associated to W and compatibility of almost positive roots in the associated root system are known to be modeled by certain planar diagrams. We show how…
An investigation of possibilities for superconductivity mediated by spin fluctuations in some elementary metals is motivated by the recent discovery of superconductivity in the hcp high-pressure phase of iron. The electronic structure, the…
We find that spin-polarized ground states emerge in nanofacets which are self-organized on SiC (0001) surfaces. Our large-scale density-functional calculations reveal that the nanofacet formed by bunching of single bilayer steps generates…
Si(331)-(12x1) is the only confirmed planar silicon surface with a stable reconstruction located between (111) and (110). We have optimized the annealing sequence and are able to obtain almost defect free, atomically precise surface areas…
A new method is introduced to study three-body clusters. Triangular configurations with ${\cal D}_{3h}$ point-group symmetry are analyzed. The spectrum, transition form factors and $B(E\lambda)$ values of $^{12}$C are investigated. It is…
Coordination chemistry relies on harnessing active metal sites within organic matrices. Polynuclear complexes - consisting of organic ligands binding to clusters of several metal atoms are of particular interest, owing to their…
Superconductivity has been discovered in many materials including elements, cuprates and nickelates. Noncentrosymmetric superconductors get attention due to their physical properties results from spatial inversion symmetry breaking. Here we…