Related papers: Ir3Ge20: A 3n-Connected Cloverleaf-Shaped Superclu…

The structure of the pseudo-binary mercury chalcogenide alloy HgSe0.7S0.3 has been studied by means of X-ray and neutron powder diffraction at pressures up to 8.5 GPa. A phase transition from the cubic zinc blende structure to the hexagonal…

We report the design, synthesis, crystal structure, and physical properties of a layered intergrowth compound, Eu$_2$CuMn$_2$P$_3$. The structure of Eu$_2$CuMn$_2$P$_3$ features an alternating arrangement of hexagonal EuCuP block layers and…

IrTe$_2$ with large spin-orbital coupling (SOC) shows a CDW-like first order structural phase transition from high-temperature trigonal phase to low-temperature monoclinic phase at 270 K, accompanying with a large jump in transport and…

The theoretical study of grain boundaries (GBs) in polycrystalline semiconductors is currently stalemated by their complicated nature, which is difficult to extract from any direct experimental characterization. Usually,…

This communication reports the first example of cyclic ferric clusters with an odd number of iron atoms capped by phosphonate ligands, namely, [Fe9(m-OH)7(m-O)2(O3PC6H9)8-(py)12]. The magnetic studies support a S = 1/2 ground state with an…

A systematic theoretical study of stoichiometric clusters (NaI)n up to n=15 is performed using the ab initio Perturbed-Ion (PI) model. The structures obtained are compared to previous pair potential results, and observed differences between…

Contrary to previous studies that classify Na2IrO3 as a realization of the Heisenberg-Kitaev model with dominant spin-orbit coupling, we show that this system represents a highly unusual case in which the electronic structure is dominated…

Starting from the Zn17Sc3 cubic approximant, new quasicrystal alloys were searched by replacement of Zn with transition elements, T. In the cases of T=Mn, Fe, Co and Ni, new icosahedral quasicrystals are formed in as-cast alloys as major…

Recently, a 2D orthorhombic silver-organic framework, Ag3C20 monolayer, was synthesized by assembling organic molecules linked with multiple aryl-metal bonds. Herein, via first-principles study, we demonstrate that owing to the unique…

The synthesis of two-dimensional van der Waals magnets has paved the way for both technological applications and fundamental research on magnetism confined to ultra-small length scales. Edge magnetic moments in ferromagnets are expected to…

Discontinuous magnetic multilayers [CoFe/Al2O3] are studied by use of magnetometry, susceptometry and numeric simulations. Soft ferromagnetic Co80Fe20 nanoparticles are embedded in a diamagnetic insulating a-Al2O3 matrix and can be…

In this Letter, we demonstrate that it is possible to form a two-dimensional (2D) silicene-like Si$_5$Ge compound by replacing the Si atoms occupying on-top sites in the planar-like structure of epitaxial silicene on ZrB$_2$(0001) by…

We study a new hypothetical form of solid carbon \csc, with a unit cell which is composed of the \cs \ fullerene cluster and an additional single carbon atom arranged in the zincblende structure. Using {\it ab initio} calculations, we show…

Mg2GeO4 is an analogue for the ultra-high pressure behavior of Mg2SiO4, so we have investigated magnesium germanate to 275 GPa and over 2000 K using a laser-heated diamond anvil cell combined with in situ synchrotron X-ray diffraction and…

The fabrication of more and more miniaturized electronic and photonic devices relies on new, ingenious methods for the fabrication of spatially controlled nanostructures. Examples are electronic devices based on semiconducting nanowires and…

The recent experimental fabrication of monolayer and few-layer C60 polymers paves the way for synthesizing two-dimensional cluster-assembled materials. Compared to atoms with the SO(3) symmetry, clusters as superatoms (e.g., C60) have an…

The structural, electronic and dynamical properties of a group of 2D germanium-based compounds, including GeC, GeN, GeO, GeSi, GeS, GeSe, and germanene, are investigated by employing first-principles calculations. The most stable structure…

We have discovered a new compound of the composition ScPd2Al3 crystallizing in unknown structure type. Moreover, ScPd2Al3 reveals polymorphism. We have found an orthorhombic crystal structure at room temperature and a high temperature cubic…

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…

We report the discovery of superconductivity in pressurized CeRhGe3, until now the only remaining non-superconducting member of the isostructural family of non-centrosymmetric heavy-fermion compounds CeTX3 (T = Co, Rh, Ir and X = Si, Ge).…