相关论文: Incommensurate host-guest structures in compressed…

Many complex intermetallic structures possess cage-like environments that can host additional guest atoms. In Al$_{10}$V, these atoms give rise to low-frequency, localized vibrations (Einstein modes) that dominate the thermodynamic response…

We investigate topological features of electronic structures which produce large anomalous Hall effect in the non-collinear antiferromagnetic metallic states of anti-perovskite manganese nitrides by first-principles calculations. We first…

Topological phases usually are unreachable in molecular solids, which are characteristic of weakly dispersed energy bands with a large gap, in contrast to topological materials. In this work, however, we propose that nontrivial electronic…

We report the synthesis of single crystals of Ce$_2$SnS$_5$ through a two-stage chemical vapor transport method. The Ce$_2$SnS$_5$ system is a member of the orthorhombic $Pbam$ (No. 55) space group and realizes a distorted trigonal…

The search of new topological insulators that demonstrate the quantum anomalous Hall effect (QAHE) is a cutting-edge research topic in condensed matter physics and materials science. So far, the QAHE has been observed only in Cr-doped…

The complex metal oxide Mn3TeO6 exhibits a corundum related structure and has been prepared both in forms of single crystals by chemical transport reactions and of polycrystalline powders by a solid state reaction route. The crystal…

Lattices with a basis can host crystallographic defects which share the same topological charge (e.g.~the Burgers vector $\vec b$ of a dislocation) but differ in their microscopic structure of the core. We demonstrate that in insulators…

Turing instability in activator-inhibitor systems provides a paradigm of nonequilibrium pattern formation; it has been extensively investigated for biological and chemical processes. Turing pattern formation should furthermore be possible…

We present the results for a chemical abundance analysis between planet-hosting and stars without planets for 12 refractory elements for a total of 1111 nearby FGK dwarf stars observed within the context of the HARPS GTO programs. Of these…

Gas hydrates are potential candidates in future energy sources while simultaneously providing structures with extensive applications in carbon capture and storage, gas transport, and important separation processes. Prior research in the…

We investigate the structure of a dilute mixture of amphiphilic dimers and spherical particles, a model relevant to the problem of encapsulating globular "guest" molecules in a dispersion. Dimers and spheres are taken to be hard particles,…

A new-type structural transition has been found in Li2RuO3 with honeycomb lattice of edge-sharing RuO6-octahedra. With decreasing temperature T, the electrical resistivity exhibits an anomalous increase at T=Tc~540 K, suggesting the (metal…

The structural and electronic properties of the clathrate compounds Ba$_{8}$Al$_{x}$Si$_{46-x}$ and Sr$_{8}$Al$_{x}$Si$_{46-x}$ are studied from first principles, considering an Al content $x$ between 6 and 16. Due to the large number of…

The integer quantum Hall (QH) effects characterized by topologically quantized and nondissipative transport are caused by an electrically insulating incompressible phase that prevents backscattering between chiral metallic channels. We…

Based on first-principles electronic structure calculations, we analyze the chemical and magnetic mechanisms stabilizing the cubic phase in Fe$_2$-based Heusler materials, which were previously predicted to be tetragonal when being…

A novel phenomenological approach to the analysis of the conductivities of incoherent layered crystals is presented. It is based on the fundamental relationship between the resistive anisotropy $\sigma_{ab}/\sigma_c$ and the ratio of the…

We propose a microscopic mechanism for the incommensurate phase in TiOX compounds. The model includes the antiferromagnetic chains of Ti ions immersed in the phonon bath of the bilayer structure. Making use of the Cross-Fisher theory, we…

Refractory high entropy alloys containing elements from the Ti, V and Cr columns of the periodic table form body centered cubic (BCC) structures. Elements from the Ti column are noteworthy because they take the BCC structure at high…

We investigate the local atomic and electronic structure, thermodynamic stability, and defect chemistry of $A_{6}B_{2}$O$_{17}$ ($A$ = Zr/Hf, $B$ = Nb/Ta) oxides using first-principles density functional theory (DFT) calculations. We…

The studies of a number of systems treated in terms of an inhomogeneous (spatially separated) Fermi-Bose mixture with superconducting clusters or droplets of the order parameter in a host medium with unpaired normal states are reviewed. A…