Photocatalysis, a promising solution to environmental challenges, relies on the generation
and utilization of photogenerated charge carriers within photocatalysts. However, the …

Solid-state high-order harmonic generation (HHG) continues to attract a lot of interest. From
the theory and simulation standpoint, two issues are still open; The first is the so-called …

The impact of strain on the optical properties of semiconductor quantum dots (QDs) is
fundamentally important while still awaiting detailed investigation. CdTe/CdS core/shell QDs …

Using a simulator for semiconductor Bloch equations (SBEs) accounting for the entire
Brillouin zone, we examine the tight-binding (TB) description for zinc blende structure as a …

In this paper, we studied the structural, electronic, magnetic, and optical properties of (ZnTe)
m/(MnTe) n superlattices with very small size layers (mn: 1-1, 2-2, and 3-1). This work is …

In this work, we present first principles calculations based on a full potential linear
augmented plane-wave method (FP-LAPW) to calculate structural and electronic properties …

The structural and the electronic properties of the ternary SrxCa1-xS, BaxCa1-xS and
BaxSr1-xS alloys have been calculated using the full-potential linear muffin-tin-orbital (FP …

Two DFT-based methods using hybrid functionals and plane-averaged profiles of the
Hartree potential (individual slabs versus vacuum and alternating slabs of both materials) …

We present the results of a first-principles study of the electronic and structural properties of
binary CdTe and ZnTe compounds and their (CdTe) n/(ZnTe) n superlattices (SLs). The …

The structural, optoelectronic, and thermoelectric properties of CaTe, Ca 0.5 Ba 0.5 Te,
CaTe 0.5 Se 0.5, and Ca 0.5 Ba 0.5 Te 0.5 Se 0.5 alloys are studied using the full-potential …