Related papers: Comparative study of Mo2Ga2C with superconducting …

Various ternary chalcogenide systems and their properties are one of the hot topics for researchers nowadays. In this article, one of the ternary chalcogenide compounds, CdTl2Te4 is studied including its electronic structures and optical…

Room temperature superconductivity remains elusive, and hydrogen-base compounds despite remarkable transition temperatures(Tc) typically require extreme pressures that hinder application. To accelerate discovery under moderate pressures, an…

In this work, density functional theory (DFT) is used to find out the ground state structures of A2AuScX6 (A= Cs, Rb; X= Cl, Br, I) double Perovskite (DP) halides for the first time. The DP A2AuScX6 halides were studied for their structural…

The structural, electronic, mechanic, vibrational and thermodynamic properties of Ti2SiB which is a hypothetical MAX phase compound, have been investigated using density functional theory calculations. The structural optimization of Ti2SiB…

The room temperature ``metallic'' properties of the quasi-one-dimensional charge density wave system (TaSe4)2I differ markedly from those expected of either a Fermi or a Luttinger Liquid. We discuss evidence for the simplest possible…

The optical conductivity of MgB$_2$ has been determined on a dense polycrystalline sample in the spectral range 6 meV - 4.6 eV using a combination of ellipsometric and normal incidence reflectivity measurements. $\sigma_{1}(\omega)$…

To investigate the physical characteristics of the half-Heusler BaHgSn molecule, we used theoretical calculations within the Density Functional Theory (DFT) framework utilizing the LSDA+mBJ technique in this study. Using the optimal lattice…

The transition-metal dichalcogenide (TMDC) in the family of $\mathrm{MX}_2$ ($\mathrm{M}=\mathrm{Mo},\mathrm{W}$; $\mathrm{X}=\mathrm{S},\mathrm{Se}$) and the graphene monolayer are atomically thin semiconductors and semimetal,…

The electronic structure of CrO_2 is critically discussed in terms of the relation of existing experimental data and well converged LSDA and GGA calculations of the electronic structure and transport properties of this half metal magnet,…

The physical properties of CsNi$_{2}$Se$_{2}$ were characterized by electrical resistivity, magnetization and specific heat measurements. We found that the stoichiometric CsNi$_{2}$Se$_{2}$ compound is a superconductor with a transition…

A polycrystalline sample of the MgB_2 superconductor was investigated by measurements of the electrical resistivity, the thermopower and the thermal conductivity in the temperature range between 1.8K and 300K in zero magnetic field. The…

Transition-metal dichalcogenides open novel opportunities for the exploration of exciting new physics and devices. As a representative system, 2H-MoS$_2$ has been extensively investigated owing to its unique band structure with a large band…

The conductivity and permittivity optical spectra of iron-pnictide Ba(Fe0.9Co0.1)2As2 film (Tc=20 K) are analyzed. In the superconducting state, at all temperatures up to Tc the temperature dependences of the magnetic field penetration…

Engineering thermal transport in two dimensional materials, alloys and heterostructures is critical for the design of next-generation flexible optoelectronic and energy harvesting devices. Direct experimental characterization of lattice…

Properties of two-dimensional transition metal dichalcogenides are highly sensitive to the presence of defects in the crystal structure. A detailed understanding of defect structure may lead to control of material properties through defect…

A new two-dimensional material { Mg2B4C2, belonging to the family of the conventional superconductor MgB2, is theoretically predicted to exhibit superconductivity with critical temperature Tc estimated in the 47-48 K range (predicted using…

The broad-band optical spectroscopy was used to study the optical and the hidden transport properties of the Ba(Fe$_{1-x}$Ni$_x$)$_2$As$_2$ superconducting films with different Ni contents. The normal state data were analyzed using a…

We present a density functional theory investigation of the pressure dependent structural, electronic, mechanical, thermophysical, vibrational, and optical properties of the intermetallic Kagome compound ZrRe2. The calculated ground-state…

Far-infrared reflectivity studies on the polycrystalline intermetallic compound MgB_2 with a superconducting transition temperature T_c=39 K were performed at temperatures 20 K to 300 K. We observe a significant raise of the…

Monolayer transition metal dichalcogenides (TMDCs), like MoS$_2$, MoSe$_2$, WS$_2$, and WSe$_2$, feature direct bandgaps, strong spin-orbit coupling, and exciton-polariton interactions at the atomic scale, which could be harnessed for…