Related papers: Planar Hexacoordinate Silicon
Silicon abundances were determined by applying the spectrum-fitting technic to the Si II doublet lines at 6347 and 6371A for a sample of 120 main-sequence stars in the T_eff range of ~7000-14000K (comprising not only normal stars but also…
A silicene-like polymorph of the Si111 7x7 surface is proposed that resolves numerous experimental paradoxes and inconsistencies arising over the past 34 years. An analysis of the three established surface state charge densities from atom…
Magnetic properties and underlying magnetic models of the synthetic A$_2$Cu$_3$O(SO$_4)_3$ fedotovite (A = K) and puninite (A = Na) minerals, as well as the mixed euchlorine-type NaKCu$_3$O(SO$_4)_3$ are reported. We show that all these…
Among the Cerium compounds, the heavier monochalcogenides CeY (Y=S,Se,Te) of cerium provide a class of compounds which together with the heavier monopnictides CeX (X=N,P,As,Sb,Bi) exhibit extremely interesting physical properties. The…
In bulk materials superconductivity is remarkably robust with respect to non-magnetic disorder. In the two-dimensional limit however, the quantum condensate suffers from the effects produced by disorder and electron correlations which both…
A topological superconductor, characterized by either a chiral order parameter or a chiral topological surface state in proximity to bulk superconductivity, is foundational to topological quantum computing. As in other topological phases of…
Motivated by recent electron microscopy studies on the Si3N4/rare-earth oxide interfaces, the atomic and electronic structures of bare beta-Si3N4 surfaces are investigated from first principles. The equilibrium shape of a Si3N4 crystal is…
The presence of a non-centrosymmetric crystal structure and in-plane mirror symmetry allows an Ising spin-orbit coupling to form in some two-dimensional materials. Examples include transition metal dichalcogenide superconductors like…
We study the electronic properties of a planar semiconductor-superconductor heterostructure, in which a thin ferromagnetic insulator layer lies in between and acts as a spin filtering barrier. We find that in such a system one can…
Magnetic topological materials are a class of compounds with the underlying interplay of nontrivial band topology and magnetic spin configuration. Extensive interests have been aroused due to their application potential involved with an…
A one-third monolayer of the heavy metals Sn and Pb deposited on semiconductor substrates can lead to a $\sqrt{3}\times\sqrt{3}$ surface reconstruction, constituting an exciting triangular lattice material platform. A long history of…
We propose a new layered-ternary Ta4SiC3 with two different stacking sequences ({\alpha}- and {\beta}-phases) of the metal atoms along c axis and study their structural stability. The mechanical, electronic and optical properties are then…
FeSe is employed as reference material to elucidate the observed high Tc superconducting behaviour of the related layered iron pnictides. The structural and ensuing semimetallic band structural forms are here rather unusual, with the…
The notion of strong electronic correlations arose in the context of $d$-metal oxides such as NiO but can be exemplified on systems as simple as the H$_2$ molecule. Here we shed light on correlation effects on B$_6^{2-}$ clusters as found…
Complex chalcogenides in the $M$PS$_3$ family of materials ($M$ = Mn, Fe, Co, and Ni) display remarkably different phase progressions depending upon the metal center orbital filling, character of the P-P linkage, and size of the van der…
Density functional and quantum Monte Carlo calculations challenge the existence of a unique ground state structure for certain Si clusters. For Si clusters with more than a dozen atoms the lowest ten isomers are close in energy and for some…
The hexagonal MnTe is a prime material candidate for altermagnets, an emerging class of magnetic compounds characterized by the nontrivial interplay of antiparallel spin arrangements with their underlying crystal structures. Recognizing…
Nanostructures, especially of silicon, are of paramount importance for new generation solar cell applications. The key material requirements for solar cells are good electrical conductivity, confinement of excitons, and a tunable band-gap…
Silicon-based two-dimensional (2D) materials, including well-known silicene, have garnered considerable attention due to their potential in advanced electronic and optoelectronic applications. Here, we introduce a novel 2D silicon variant,…
The conventional paradigm of charge order for La_{1-x}Ca_xMnO_3 for x=0.5 has been challenged recently by a Zener polaron picture emerging from experiments and theoretical calculations. The effective low energy Hamiltonian for the magnetic…