Related papers: A hard metallic material: Osmium Diboride
In this work, we have performed a comprehensive study of dielectric materials NbOX2 (X=Cl, Br, and I) within the framework of density functional theory, incorporating both conventional and hybrid functionals.Our studies focus on the…
Polariton-based devices require materials where light-matter coupling under ambient conditions exceeds losses, but our current selection of such materials is limited. Here we measured the dispersion of polaritons formed by the $A$ and $B$…
We study theoretically the effective spin Hall properties of a composite consisting of two materials with and without spin-orbit (SO) coupling. In particular, we assume that SO material represents a system of grains in a matrix with no SO.…
We calculate the Casimir force between slabs of finite thickness made of intrinsic and doped silicon with different concentration of carriers and compare the results to those obtained for gold slabs. We use the Drude and the plasma models…
We carry out a detailed theoretical study of the electronic and optical properties of bulk and monolayer bismuth triiodide (BiI$_{3}$), a layered metal halide, using the ab initio GW+BSE scheme with a full spinorial formulation. We discuss…
We present magnetic torque, specific heat and thermal expansion measurements combined with a piezo rotary positioner of the bulk transition metal dichalcogenide (TMD) superconductor NbS2 in high magnetic fields applied strictly parallel to…
We study the non-degenerate one dimensional two-orbital Hubbard model with interorbital Coulomb interaction. By means of the density-matrix renormalization group technique, we calculate the local single-particle density of states and the…
Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, orthotridymite, b-tridymite, and rutile crystals. The analysis…
Electronic conductivity in organic materials is well-established. Both semiconductive and metallic behavior is observed in (quasi) 0-, 1-, 2- and 3-dimensional carbon-based materials and is applied in a wide range of commercial devices.…
Very recent report [1] on observation of superconductivity in Bi4O4S3 could potentially reignite the search for superconductivity in a broad range of layered sulphides. We report here synthesis of Bi4O4S3 at 5000C by vacuum encapsulation…
Structural and mechanical properties of B12-based orthorhombic metal carboborides are studied on the basis of first principle DFT approach. The simulations predict the existence of a new family of phases of the composition MeC2B12 (Me=Mg,…
In this work, we review the results of several recent works on the experimental and theoretical studies of monolayer superconducting transition metal dichalcogenides (TMD) such as superconducting MoS2 and NbSe2. We show how the strong Ising…
The structural, electronic and lattice dielectric properties of multiferroic TbMn$_2$O$_5$ are investigated using density functional theory within the generalized gradient approximation (GGA). We use collinear spin approximations and ignore…
The discovery of superconductivity at 39 K in magnesium diboride offers the possibility of a new class of low-cost, high-performance superconducting materials for magnets and electronic applications. With twice the critical temperature of…
Bulk viscosity of a plasma consisting of strongly coupled diatomic ions is computed using molecular dynamics simulations. The simulations are based on the rigid rotor one-component plasma, which is introduced as a model system that adds two…
Spin-phonon interactions have a dual role in emerging spin-based quantum technologies. While they can be a limitation to device performance through decoherence, they also serve as a critical resource for coherent spin control, detection,…
Here we report further investigation on the thermodynamic, and transport properties, and the first assessment of theoretical calculations for the BiS2-layered Bi3O2S3 superconductor. The polycrystalline sample is synthesized with the…
In ultra-thin two-dimensional (2-D) materials, the formation of ohmic contacts with top metallic layers is a challenging task that involves different processes than in bulk-like structures. Besides the Schottky barrier height, the transfer…
The ability to modulate the spin-orbit (SO) interaction is crucial for engineering a wide range of spintronics-based quantum devices, extending from state-of-the-art data storage to materials for quantum computing. The use of…
Organic semiconductors interfaced with spin-orbit coupled materials offer a rich playground for fundamental studies of controlling spin dynamics in spintronic devices. The adsorbate-surface interactions at such interfaces play a key role in…