Related papers: Polytypism in LaOBiS2-type compounds based on diff…

The upper critical field $H_{c2}$ of polycrystalline samples of $Ln$O$_{0.5}$F$_{0.5}$BiS$_{2}$ ($Ln$ = La, Nd) at ambient pressure (tetragonal structure) and high pressure (HP) (monoclinic structure) have been investigated via electrical…

The discovery of superconductivity with onset temperature of ~80 K in pressurized bilayer Ruddlesden-Popper La3Ni2O7-d has attracted much attention. Despite intense research, determination of the exact oxygen content and understanding of…

We study normal state electrical, thermoelectrical and thermal transport in polycrystalline BiS2-based compounds, which become superconducting by F doping on the O site. In particular we explore undoped LaOBiS2 and doped LaO0.5F0.5BiS2…

Layered molecular materials and especially MoS2 are already accepted as promising candidates for nanoelectronics. In contrast to the bulk material, the observed electron mobility in single-layer MoS2 is unexpectedly low. Here we reveal the…

The structure of a new member of the AxCoO2 x nH2O family (A=Li,Na,K) was determined by high-resolution synchrotron X-ray powder diffraction. Layered lithium cobalt oxide hydrate LixCoO2 x 2H2O crystallizes in a disordered monoclinic…

The anisotropic two-dimensional (2D) van der Waals (vdW) layered materials, with both scientific interest and potential application, have one more dimension to tune the properties than the isotropic 2D materials. The interlayer vdW coupling…

The newly discovered topological crystalline insulators (TCIs) harbor a complex band structure involving multiple Dirac cones. These materials are potentially highly tunable by external electric field, temperature or strain and could find…

In the search for MgB2-like phonon-mediated superconductors we have carried out a systematic density functional theory study of the Ca-B system, isoelectronic to Mg-B, at ambient and gigapascal pressures. A remarkable variety of candidate…

Interlayer stacking order has recently emerged as a unique degree of freedom to control crystal symmetry and physical properties in two-dimensional van der Waals (vdW) materials and heterostructures. By tuning the layer stacking pattern,…

When a three-dimensional material is constructed by stacking different two-dimensional layers into an ordered structure, new and unique physical properties can emerge. An example is the delafossite PdCoO2, which consists of alternating…

Interlayer rotation and stacking were recently demonstrated as effective strategies for tuning physical properties of various two-dimensional materials. The latter strategy was mostly realized in hetero-structures with continuously varied…

Polytypism of incommensurately modulated structures was hitherto unobserved. Here, we found the phenomenon in simple halogen systems of bromine and iodine upon molecular dissociation in the solids under pressure. Single-crystal synchrotron…

We report that conventional saturable periodic structures, in sharp contrast to the conventional systems with different nonlinearities which exhibit the typical S- shaped optical bi- and multi-stable states, reveal some unusual and unique…

Employing density functional theory-based methods, we investigate monolayer and bilayer structures of hexagonal SnS$_{2}$, which is recently synthesized monolayer metal dichalcogenide. Comparison of 1H and 1T phases of monolayer SnS$_{2}$…

A single-phase high pressure (HP) modification of CsxFe2-ySe2 was synthesized at 11.8 GPa at ambient temperature. Structurally this polymorph is similar to the minor low pressure (LP) superconducting phase, namely they both crystallize in a…

Density functional theory and density functional perturbation theory are used to investigate the electronic and vibrational properties of TiS$_2$. Within the local density approximation the material is a semi-metal both in the bulk and in…

Using the full potential linearized augmented plane wave plus local orbitals method we determine ab-initio the lattice parameters of tetragonally distorted Co2TiSn in the L21 structure. The tetragonal lattice parameter c is determined as a…

In this work we describe the thermodynamics and mechanism of CO$_2$ polymorphic transitions under pressure from form I to form III combining standard molecular dynamics, well-tempered metadynamics and committor analysis. We find that the…

Materials with coupled or competing order parameters display highly tunable ground states, where subtle perturbations reveal distinct electronic and magnetic phases. These phases generally are underpinned by complex crystal structures, but…

In this paper the synthesis and study of the structural, morphological, electrical, magnetic and electronic properties of the LaBiFe2O6 novel material are reported. The material was produced using the standard ceramic method. The Rietveld…