We are attempting to study the properties of new materials based on Diamond-like semiconductors (DLS). Due to broad collection of useful properties, DLS are exciting materials to study. The novel substances Li2MnGeS4 and Li2CoSnS4 result from using a rational and guileless design approa...

Magnetically doped topological insulators enable the quantum anomalous Hall efect (QAHE), which provides quantized edge states for lossless charge-transport applications. The edge states are hosted by a magnetic energy gap at the Dirac point, but hitherto all attempts to observe this gap...

The electronic, optical, thermoelectric, and dynamic properties of Pb7Bi4Se13 have been investigated using first principles calculations. The existence of heavy elements, bismuth and lead, has required to consider the spin–orbit coupling as implemented in the second variational procedure. It was ...

We reported first principles calculations of electronic and related optical and thermoelectric properties of two metal-rich palladium–indium selenides Pd5InSe and Pd8In2Se. Both selenides are found to be metallic and their densities of states at the Fermi energy, N (EF), showed an overlap&#x...

To apprehend the electronic structures and related physical quantities such as Fermi surface, and optical properties of the perovskite LaPdO3 system, we employed the full potential linearized augmented plane wave method. The existence of rare-earth (La) and the actinide element (Pd) has ...