Mxenes are 2D inorganic compounds of transition metal carbides, nitrides, or carbonitrides
with few atomic thickness. These compounds are exploited for industrial, biomedical …

The electronic and magnetic properties of Titanium and one of its oxide Anatase are
calculated by using Tight Binding Linear Muffin-Tin Orbital Atomic Sphere Approximation …

We have investigated the structural, chemical, and mechanical stabilities, electronic
structures, and optical characteristics of (La x Sr 1-x VO 3) n (where, n= 1, 2; x= 0, 0.5, 1) …

The spintronic devices have played an important role in modern technological era. Heusler
alloys have attracted lot of interest in spintronic applications due to their half-metallic …

Formation of intermetallic compounds of lanthanide fission products within uranium-based
metallic fuels with added dopant (s) has been proposed to arrest fission products within the …

Simple statistical model has been used to report the thermodynamic, structural, transport
and surface properties of liquid Ag-Au alloys at 1350K. In thermodynamic properties we …

A first-principles approach to the construction of concentration-temperature magnetic phase
diagrams of metallic alloys is presented. The method employs self-consistent total energy …

Heusler alloys have been of great interest because of their application in the field of modern
technological applications. Electronic and magnetic properties of Co, Mn, Si and the Heusler …

We study the electronic and magnetic properties of Pt x Mn1− x alloys across the
composition range (x= 0_01 to 0.5) using the non-collinear magnetic version of the tight …

Transition metal di-chalcogenides (MX2) M=(Mo, W) and X=(S, Se) in bulk state are of great
interest due to their diverse applications in the field of modern technology as well as to …