Related papers: A hard metallic material: Osmium Diboride
Recently, osmium diboride (OsB2) has attracted considerable attention as an incompressible and hard material. We investigate the structural property, elastic constants, and electronic structure of orthorhombic OsB2 by the first-principles…
We have performed systematic first-principles calculations on di-carbide, -nitride, -oxide and -boride of platinum and osmium with the fluorite structure. It is found that only PtN$_{2}$, OsN$_{2}$ and OsO$_{2}$ are mechanically stable. In…
Molybdenum disulfide (MoS2) is a layered semiconductor which has become very important recently as an emerging electronic device material. Being an intrinsic semiconductor the two-dimensional MoS2 has major advantages as the channel…
A recent experimental study reported the successful synthesis of an orthorhombic FeB4 with a high hardness of 62 GPa, which has reignited extensive interests on whether transition metal borides (TRBs) compounds will become superhard…
Altermagnets with compensated spin structures and nonrelativistic spin splitting have emerged as a new class of magnetic materials. Rutile OsO2 has been theoretically predicted to be altermagnetic, but experimental studies have been limited…
We report a comprehensive investigation of the physical properties of LuOs3B2, characterized by an ideal Os-based kagome lattice. Resistivity and magnetization measurements confirm the emergence of type-II bulk superconductivity with a…
OsB_2 crystallizes in an orthorhombic structure (Pmmn) which contains alternate boron and osmium layers stacked along the c-axis. The boron layers consist of puckered hexagons as opposed to the flat graphite-like boron layers in MgB_2.…
In the present work we have proposed the method that allows one to easily estimate hardness and bulk modulus of known or hypothetical solid phases from the data on Gibbs energy of atomization of the elements and corresponding covalent…
The elastic properties of rutile transition metal dioxides XO$_{2}$ (X=Ru, Rh, Os, and Ir) are investigated using first-principles calculations based on density functional theory. Elastic constants, bulk modulus, shear modulus, and Young's…
Based on density functional theory, we have systematically studied the structural stability, mechanical properties and chemical bonding of the transition metal borides M3B4 (M=Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) for the first time. All…
The electronic band structures along with Fermi surface, anisotropy, Vickers hardness, analysis of Mulliken populations, optical and thermodynamic properties were studied for the first time. The optimized unit cell parameters are compared…
Several fcc- and hcp-structured Ir-Os alloys have been recently studied up to 30 GPa at room temperature by means of synchrotron-based X-ray powder diffraction in diamond anvil cells. Using their bulk moduli -which increase with increasing…
Hot Isostatic Pressing was applied to synthesize bulk samples with diameter up to 30 mm starting with Alfa Aesar magnesium diboride powder. HIPing at 2 kbar, 1000 C with cooling under pressure (DMCUP cycle) resulted in a fully dense (or low…
Highly dense MgB2 policrystalline bulk materials, obtained by reactive liquid infiltration, have been characterized in their superconducting transport and magnetic properties in magnetic field and in a temperature range of interest for the…
Rubidium superoxide, RbO_2, is a rare example of a solid with partially-filled electronic p states, which allows to study the interplay of spin and orbital order and other effects of strong electronic correlations in a material that is…
Atomically thin MoSe2 is a promising platform for investigating quantum phenomena due to its large effective mass, high crystal quality, and strong spin-orbit coupling. In this work, we demonstrate a triple-gate device design with bismuth…
Transition-metal borides (TMBs) have long attracted attention of the researchers because of their unique mechanical and electrical properties including superconductivity. We have explored the structural, mechanical, electronic, optical, and…
We have performed a first principles study of structural, mechanical, electronic, and optical properties of orthorhombic Sb2S3 and Sb2Se3 compounds using the density functional theory within the local density approximation. The lattice…
Binary metallic phosphide, Nb2P5, belongs to technologically important class of materials. Quite surprisingly, a large number of physical properties of Nb2P5, including elastic properties and their anisotropy, acoustic, electronic (DOS,…
Using first-principles calculations, the elastic constants, thermodynamic property and structural phase transition of rhenium diboride under pressure are investigated by means of the pseudopotential plane-waves method, as well as the effect…