Related papers: First-principles study of configurational disorder…
Structural evolution of a prospective hydrogen storage material, ammonia borane NH3BH3, has been studied at high pressures up to 12 GPa and at low temperatures by synchrotron powder diffraction. At 293 K and above 1.1 GPa a disordered I4mm…
Boron-rich lithium borocarbides are promising candidates for phonon-mediated high-temperature superconductors due to their metallic $\sigma$-bonding electrons. Here, we use the cluster expansion method to identify energetically stable…
We study the effect of quenched disorder in the thermodynamic magnitudes entailed in the first-order vortex phase transition of the extremely layered Bi$_{2}$Sr$_{2}$CaCu$_{2}$O$_{8 + \delta}$ compound. We track the temperature-evolution of…
We address the possibility of realizing Bose-Einstein condensation as a first-order phase transition by admixture of particles of different species. To this aim we perform a comprehensive analysis of phase diagrams of two-component mixtures…
Order-disorder transitions are widely explored in various vortex structures in condensed matter physics, i.e., in the type-II superconductors and Bose-Einstein condensates. In this study, we have investigated the ordering of the polar…
The single-crystal growth, stoichiometry, and structure of Rb1-xFe2-ySe2-zSz crystals with substitution of Se by S are reported. The variation of the magnetic and thermodynamic parameters of samples was studied by differential-scanning…
Ridged, orthorhombic two-dimensional atomic crystals with a bulk {\em Pnma} structure such as black phosphorus and monochalcogenide monolayers are an exciting and novel material platform for a host of applications. Key to their…
We study the problem of non-conventional Anderson localization emerging in bilayer periodic-on-average structures with alternating layers of materials with positive and negative refraction indices $n_a$ and $n_b$. Main attention is paid to…
It is generally difficult to quantify the amounts of light elements in materials because of their low X-ray-scattering power, as this means that they cannot be easily estimated via X-ray analyses. Meanwhile, the recently reported layered…
Single crystal X-ray diffraction measurements have been carried out on Cd_2Re_2O_7 near and below the phase transition it exhibits at Tc' ~195 K. Cd_2Re_2O_7 was recently discovered as the first, and to date only, superconductor with the…
Theoretical analysis of the electronic structure of the high-entropy-type superconductor (ScZrNb)$_{1-x}$(RhPd)$_x$, $x \in (0.35, 0.45)$ is presented. The studied material is a partially ordered CsCl-type structure, with two sublattices,…
Metal-stuffed B$-$C compounds with sodalite clathrate structure have captured increasing attention due to their predicted exceptional superconductivity above liquid nitrogen temperature at ambient pressure. However, by neglecting the…
We reconsider the effect of disorder on the properties of a superconductor characterized by a sign-changing order parameter appropriate for Fe-based materials. Within a simple two band model, we calculate simultaneously $T_c$, the change in…
The novel magnetic phase diagram of the $Cs_2CuCl_{4-x}Br_x$ mixed system is established by means of single crystal neutron diffraction in the lowest temperature region and zero magnetic field. Two long-range ordered magnetic phases exist…
We study the interplay between disorder and superconductivity in a rope of metallic carbon nanotubes. Based on the time dependent Ginzburg Landau theory, we derive the superconducting transition temperature T$_c$ taking into account the…
Boron is an element of fascinating chemical complexity. Controversies have shrouded this element since its discovery was announced in 1808: the new 'element' turned out to be a compound containing less than 60-70 percent of boron, and it…
The phonon scattering processes on the three solid phases of ethanol are investigated by means of thermal conductivity, light and neutron scattering measurements as well as molecular dynamics simulations on single-crystalline models for the…
In this work, we present an atomistic first-principles framework for modeling the low-temperature electronic and transport properties of disordered two-dimensional (2D) materials with randomly distributed point defects (impurities). The…
Disproportionation in 3d compounds can give rise to an unconventional electron-hole Bose liquid with a very rich phase diagram from a Bose metal, charge ordering insulator to an inhomogeneous Bose superfluid. Optimal conditions for the…
We study the interplay of superconductivity and disorder by solving numerically the Bogoliubov-de-Gennes equations in a two dimensional lattice of size $80\times80$ which makes possible to investigate the weak-coupling limit. In contrast…